 vasp.6.3.2 27Jun22 (build Feb 06 2023 14:45:50) complex                        
  
 executed on             LinuxIFC date 2023.03.06  17:07:38
 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      0.5372: real time      0.5406
 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      0.0021: real time      0.0021


--------------------------------------- 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      1.2699: real time      1.2783
    SETDIJ:  cpu time      1.2512: real time      1.2564
    TRIAL :  cpu time    593.0363: real time    598.1517
    CORREC:  cpu time      0.0029: real time      0.0029
    CHARGE:  cpu time      0.2251: real time      0.2269
    --------------------------------------------
      LOOP:  cpu time    595.7882: real time    600.9425

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1291281E+02  (-0.1545090E+00)
 number of electron      15.0000000 magnetization      -0.0000163
 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   =      -704.64325419
  -exchange      EXHF   =        33.26481274
  -V(xc)+E(xc)   XCENC  =       -83.63778008
  PAW double counting   =       429.69562103     -328.75856888
  entropy T*S    EENTRO =        -0.00345151
  eigenvalues    EBANDS =       -34.02835759
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -12.91281115 eV

  energy without entropy =      -12.90935964  energy(sigma->0) =      -12.91166065
  exchange ACFDT corr.  =        -0.00484615  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7246: real time      0.7302
    SETDIJ:  cpu time      1.2486: real time      1.2538
    TRIAL :  cpu time    589.6808: real time    594.5781
    CORREC:  cpu time      0.0029: real time      0.0029
    CHARGE:  cpu time      0.2251: real time      0.2270
    --------------------------------------------
      LOOP:  cpu time    591.8825: real time    596.7924

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1426680E+00  (-0.1920634E+00)
 number of electron      15.0000000 magnetization      -0.0000172
 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   =      -704.16540375
  -exchange      EXHF   =        33.26874319
  -V(xc)+E(xc)   XCENC  =       -83.61243427
  PAW double counting   =       634.49824888     -533.54223687
  entropy T*S    EENTRO =        -0.00270236
  eigenvalues    EBANDS =       -34.69777400
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.05547918 eV

  energy without entropy =      -13.05277682  energy(sigma->0) =      -13.05457839
  exchange ACFDT corr.  =        -0.00454377  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7259: real time      0.7313
    SETDIJ:  cpu time      1.2488: real time      1.2540
    TRIAL :  cpu time    588.7255: real time    593.6877
    CORREC:  cpu time      0.0030: real time      0.0030
    CHARGE:  cpu time      0.2260: real time      0.2277
    --------------------------------------------
      LOOP:  cpu time    590.9296: real time    595.9043

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1724561E+00  (-0.1728166E+00)
 number of electron      15.0000000 magnetization      -0.0000173
 augmentation part       -0.1518148 magnetization      -0.0000023

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.83095480
  -exchange      EXHF   =        33.27799936
  -V(xc)+E(xc)   XCENC  =       -83.57826486
  PAW double counting   =      1236.90761990    -1135.92801987
  entropy T*S    EENTRO =        -0.00218935
  eigenvalues    EBANDS =       -35.27244184
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.22793532 eV

  energy without entropy =      -13.22574596  energy(sigma->0) =      -13.22720553
  exchange ACFDT corr.  =        -0.00402493  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7254: real time      0.7310
    SETDIJ:  cpu time      1.2474: real time      1.2527
    TRIAL :  cpu time    589.0118: real time    593.9533
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2254: real time      0.2272
    --------------------------------------------
      LOOP:  cpu time    591.2137: real time    596.1678

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1545448E+00  (-0.1434851E+00)
 number of electron      15.0000000 magnetization      -0.0000164
 augmentation part       -0.1257462 magnetization       0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.76751446
  -exchange      EXHF   =        33.29068427
  -V(xc)+E(xc)   XCENC  =       -83.54733458
  PAW double counting   =      2630.38196125    -2529.38330278
  entropy T*S    EENTRO =        -0.00198934
  eigenvalues    EBANDS =       -35.55361364
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.38248014 eV

  energy without entropy =      -13.38049080  energy(sigma->0) =      -13.38181703
  exchange ACFDT corr.  =        -0.00366907  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7253: real time      0.7308
    SETDIJ:  cpu time      1.2492: real time      1.2545
    TRIAL :  cpu time    589.5441: real time    594.4425
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2255: real time      0.2273
    --------------------------------------------
      LOOP:  cpu time    591.7478: real time    596.6589

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1297639E+00  (-0.1191123E+00)
 number of electron      15.0000000 magnetization      -0.0000150
 augmentation part       -0.1031568 magnetization       0.0000053

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.86621794
  -exchange      EXHF   =        33.30270091
  -V(xc)+E(xc)   XCENC  =       -83.52672494
  PAW double counting   =      5275.55405255    -5174.54564975
  entropy T*S    EENTRO =        -0.00204057
  eigenvalues    EBANDS =       -35.62724470
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.51224406 eV

  energy without entropy =      -13.51020349  energy(sigma->0) =      -13.51156387
  exchange ACFDT corr.  =        -0.00355084  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7254: real time      0.7309
    SETDIJ:  cpu time      1.2497: real time      1.2549
    TRIAL :  cpu time    588.8742: real time    593.7390
    CORREC:  cpu time      0.0031: real time      0.0032
    CHARGE:  cpu time      0.2256: real time      0.2274
    --------------------------------------------
      LOOP:  cpu time    591.0787: real time    595.9559

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1084279E+00  (-0.9730051E-01)
 number of electron      15.0000000 magnetization      -0.0000137
 augmentation part       -0.0836260 magnetization       0.0000073

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.01327662
  -exchange      EXHF   =        33.31038324
  -V(xc)+E(xc)   XCENC  =       -83.51799548
  PAW double counting   =      9559.32926704    -9458.32065277
  entropy T*S    EENTRO =        -0.00224529
  eigenvalues    EBANDS =       -35.60518597
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.62067197 eV

  energy without entropy =      -13.61842668  energy(sigma->0) =      -13.61992354
  exchange ACFDT corr.  =        -0.00358240  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7252: real time      0.7305
    SETDIJ:  cpu time      1.2463: real time      1.2516
    TRIAL :  cpu time    586.9816: real time    591.7770
    CORREC:  cpu time      0.0030: real time      0.0030
    CHARGE:  cpu time      0.2251: real time      0.2269
    --------------------------------------------
      LOOP:  cpu time    589.1817: real time    593.9895

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8799891E-01  (-0.7550742E-01)
 number of electron      15.0000000 magnetization      -0.0000130
 augmentation part       -0.0663515 magnetization       0.0000084

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.13065411
  -exchange      EXHF   =        33.31246038
  -V(xc)+E(xc)   XCENC  =       -83.51838198
  PAW double counting   =     15750.95113377   -15649.94935770
  entropy T*S    EENTRO =        -0.00251754
  eigenvalues    EBANDS =       -35.57045511
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.70867088 eV

  energy without entropy =      -13.70615334  energy(sigma->0) =      -13.70783170
  exchange ACFDT corr.  =        -0.00369634  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2487: real time      1.2540
    TRIAL :  cpu time    587.9270: real time    592.7952
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2252: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time    590.1298: real time    595.0107

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6738160E-01  (-0.5507142E-01)
 number of electron      15.0000000 magnetization      -0.0000139
 augmentation part       -0.0507878 magnetization       0.0000096

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.17876315
  -exchange      EXHF   =        33.31029076
  -V(xc)+E(xc)   XCENC  =       -83.52312149
  PAW double counting   =     24023.53808554   -23922.54619059
  entropy T*S    EENTRO =        -0.00279794
  eigenvalues    EBANDS =       -35.57266517
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.77605248 eV

  energy without entropy =      -13.77325454  energy(sigma->0) =      -13.77511983
  exchange ACFDT corr.  =        -0.00384099  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7249: real time      0.7308
    SETDIJ:  cpu time      1.2509: real time      1.2563
    TRIAL :  cpu time    591.5796: real time    596.4900
    CORREC:  cpu time      0.0032: real time      0.0033
    CHARGE:  cpu time      0.2250: real time      0.2268
    --------------------------------------------
      LOOP:  cpu time    593.7842: real time    598.7077

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4844689E-01  (-0.3774000E-01)
 number of electron      15.0000000 magnetization      -0.0000171
 augmentation part       -0.0369421 magnetization       0.0000107

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.17871735
  -exchange      EXHF   =        33.30659195
  -V(xc)+E(xc)   XCENC  =       -83.52792518
  PAW double counting   =     34405.99567111   -34305.01304112
  entropy T*S    EENTRO =        -0.00305563
  eigenvalues    EBANDS =       -35.60310999
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.82449937 eV

  energy without entropy =      -13.82144374  energy(sigma->0) =      -13.82348082
  exchange ACFDT corr.  =        -0.00398558  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7257: real time      0.7312
    SETDIJ:  cpu time      1.2520: real time      1.2572
    TRIAL :  cpu time    588.6376: real time    593.5139
    CORREC:  cpu time      0.0033: real time      0.0033
    CHARGE:  cpu time      0.2243: real time      0.2261
    --------------------------------------------
      LOOP:  cpu time    590.8436: real time    595.7325

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3266487E-01  (-0.2388672E-01)
 number of electron      15.0000000 magnetization      -0.0000220
 augmentation part       -0.0252624 magnetization       0.0000110

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.18299694
  -exchange      EXHF   =        33.30365877
  -V(xc)+E(xc)   XCENC  =       -83.53058736
  PAW double counting   =     46557.71390639   -46456.73832718
  entropy T*S    EENTRO =        -0.00327872
  eigenvalues    EBANDS =       -35.61859144
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.85716423 eV

  energy without entropy =      -13.85388551  energy(sigma->0) =      -13.85607133
  exchange ACFDT corr.  =        -0.00411742  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7256: real time      0.7311
    SETDIJ:  cpu time      1.2515: real time      1.2566
    TRIAL :  cpu time    592.9421: real time    597.7839
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2247: real time      0.2265
    --------------------------------------------
      LOOP:  cpu time    595.1485: real time    600.0026

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2024356E-01  (-0.1366360E-01)
 number of electron      15.0000000 magnetization      -0.0000275
 augmentation part       -0.0161283 magnetization       0.0000096

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.21040764
  -exchange      EXHF   =        33.30222056
  -V(xc)+E(xc)   XCENC  =       -83.53125061
  PAW double counting   =     59524.82516385   -59423.85437528
  entropy T*S    EENTRO =        -0.00346513
  eigenvalues    EBANDS =       -35.60430910
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87740779 eV

  energy without entropy =      -13.87394266  energy(sigma->0) =      -13.87625275
  exchange ACFDT corr.  =        -0.00423249  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7268: real time      0.7324
    SETDIJ:  cpu time      1.2516: real time      1.2568
    TRIAL :  cpu time    590.7025: real time    595.5320
    CORREC:  cpu time      0.0033: real time      0.0033
    CHARGE:  cpu time      0.2249: real time      0.2267
    --------------------------------------------
      LOOP:  cpu time    592.9099: real time    597.7520

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1128790E-01  (-0.6991619E-02)
 number of electron      15.0000000 magnetization      -0.0000332
 augmentation part       -0.0095301 magnetization       0.0000067

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.23965594
  -exchange      EXHF   =        33.30171766
  -V(xc)+E(xc)   XCENC  =       -83.53125479
  PAW double counting   =     71959.27049922   -71858.30308303
  entropy T*S    EENTRO =        -0.00361731
  eigenvalues    EBANDS =       -35.58228284
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88869569 eV

  energy without entropy =      -13.88507838  energy(sigma->0) =      -13.88748992
  exchange ACFDT corr.  =        -0.00432981  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7257: real time      0.7311
    SETDIJ:  cpu time      1.2490: real time      1.2542
    TRIAL :  cpu time    591.1447: real time    595.9777
    CORREC:  cpu time      0.0034: real time      0.0034
    CHARGE:  cpu time      0.2252: real time      0.2270
    --------------------------------------------
      LOOP:  cpu time    593.3486: real time    598.1941

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5595555E-02  (-0.3161221E-02)
 number of electron      15.0000000 magnetization      -0.0000387
 augmentation part       -0.0051130 magnetization       0.0000030

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25368016
  -exchange      EXHF   =        33.30140530
  -V(xc)+E(xc)   XCENC  =       -83.53165225
  PAW double counting   =     82648.47602352   -82547.51170322
  entropy T*S    EENTRO =        -0.00374034
  eigenvalues    EBANDS =       -35.56989628
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89429125 eV

  energy without entropy =      -13.89055090  energy(sigma->0) =      -13.89304446
  exchange ACFDT corr.  =        -0.00441050  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7254: real time      0.7308
    SETDIJ:  cpu time      1.2521: real time      1.2571
    TRIAL :  cpu time    589.2028: real time    594.0486
    CORREC:  cpu time      0.0032: real time      0.0033
    CHARGE:  cpu time      0.2250: real time      0.2267
    --------------------------------------------
      LOOP:  cpu time    591.4091: real time    596.2671

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2429065E-02  (-0.1246124E-02)
 number of electron      15.0000000 magnetization      -0.0000439
 augmentation part       -0.0023628 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25653237
  -exchange      EXHF   =        33.30101253
  -V(xc)+E(xc)   XCENC  =       -83.53258179
  PAW double counting   =     90896.11405791   -90795.15243840
  entropy T*S    EENTRO =        -0.00383997
  eigenvalues    EBANDS =       -35.56532701
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89672031 eV

  energy without entropy =      -13.89288034  energy(sigma->0) =      -13.89544032
  exchange ACFDT corr.  =        -0.00447706  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7257: real time      0.7311
    SETDIJ:  cpu time      1.2495: real time      1.2547
    TRIAL :  cpu time    590.5156: real time    595.3422
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2268: real time      0.2286
    --------------------------------------------
      LOOP:  cpu time    592.7216: real time    597.5607

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9067967E-03  (-0.4405083E-03)
 number of electron      15.0000000 magnetization      -0.0000485
 augmentation part       -0.0007943 magnetization      -0.0000026

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25751652
  -exchange      EXHF   =        33.30066469
  -V(xc)+E(xc)   XCENC  =       -83.53360378
  PAW double counting   =     96599.84474589   -96498.88530839
  entropy T*S    EENTRO =        -0.00392121
  eigenvalues    EBANDS =       -35.56159818
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89762711 eV

  energy without entropy =      -13.89370589  energy(sigma->0) =      -13.89632004
  exchange ACFDT corr.  =        -0.00453225  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7263: real time      0.7317
    SETDIJ:  cpu time      1.2513: real time      1.2565
    TRIAL :  cpu time    588.6009: real time    593.4506
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2270: real time      0.2288
    --------------------------------------------
      LOOP:  cpu time    590.8095: real time    595.6717

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3056127E-03  (-0.1711548E-03)
 number of electron      15.0000000 magnetization      -0.0000525
 augmentation part       -0.0000115 magnetization      -0.0000034

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25937806
  -exchange      EXHF   =        33.30052750
  -V(xc)+E(xc)   XCENC  =       -83.53432104
  PAW double counting   =    100076.03349440   -99975.07544418
  entropy T*S    EENTRO =        -0.00398797
  eigenvalues    EBANDS =       -35.55771928
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89793272 eV

  energy without entropy =      -13.89394475  energy(sigma->0) =      -13.89660340
  exchange ACFDT corr.  =        -0.00457829  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7269: real time      0.7325
    SETDIJ:  cpu time      1.2504: real time      1.2555
    TRIAL :  cpu time    591.3258: real time    596.1434
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2262: real time      0.2280
    --------------------------------------------
      LOOP:  cpu time    593.5335: real time    598.3637

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1234801E-03  (-0.9936734E-04)
 number of electron      15.0000000 magnetization      -0.0000558
 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   =      -704.26107524
  -exchange      EXHF   =        33.30060310
  -V(xc)+E(xc)   XCENC  =       -83.53468297
  PAW double counting   =    101882.56382757  -101781.60674582
  entropy T*S    EENTRO =        -0.00404346
  eigenvalues    EBANDS =       -35.55482404
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89805620 eV

  energy without entropy =      -13.89401274  energy(sigma->0) =      -13.89670838
  exchange ACFDT corr.  =        -0.00461743  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7250: real time      0.7303
    SETDIJ:  cpu time      1.2511: real time      1.2563
    TRIAL :  cpu time    588.9532: real time    593.7743
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2267: real time      0.2285
    --------------------------------------------
      LOOP:  cpu time    591.1601: real time    595.9935

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8321022E-04  (-0.7959770E-04)
 number of electron      15.0000000 magnetization      -0.0000585
 augmentation part        0.0002971 magnetization      -0.0000023

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26197596
  -exchange      EXHF   =        33.30080453
  -V(xc)+E(xc)   XCENC  =       -83.53482843
  PAW double counting   =    102593.41590241  -102492.45905485
  entropy T*S    EENTRO =        -0.00409012
  eigenvalues    EBANDS =       -35.55377281
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89813941 eV

  energy without entropy =      -13.89404929  energy(sigma->0) =      -13.89677604
  exchange ACFDT corr.  =        -0.00465118  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7251: real time      0.7305
    SETDIJ:  cpu time      1.2506: real time      1.2557
    TRIAL :  cpu time    587.6913: real time    592.4960
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2262: real time      0.2280
    --------------------------------------------
      LOOP:  cpu time    589.8972: real time    594.7142

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7252725E-04  (-0.6642429E-04)
 number of electron      15.0000000 magnetization      -0.0000607
 augmentation part        0.0001845 magnetization      -0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26248599
  -exchange      EXHF   =        33.30104878
  -V(xc)+E(xc)   XCENC  =       -83.53488810
  PAW double counting   =    102689.32304809  -102588.36627246
  entropy T*S    EENTRO =        -0.00412987
  eigenvalues    EBANDS =       -35.55340130
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89821194 eV

  energy without entropy =      -13.89408207  energy(sigma->0) =      -13.89683532
  exchange ACFDT corr.  =        -0.00468057  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7256: real time      0.7310
    SETDIJ:  cpu time      1.2510: real time      1.2561
    TRIAL :  cpu time    588.5364: real time    593.3546
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2272: real time      0.2289
    --------------------------------------------
      LOOP:  cpu time    590.7447: real time    595.5752

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6235957E-04  (-0.5319676E-04)
 number of electron      15.0000000 magnetization      -0.0000624
 augmentation part        0.0000242 magnetization      -0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26308433
  -exchange      EXHF   =        33.30129055
  -V(xc)+E(xc)   XCENC  =       -83.53492548
  PAW double counting   =    102491.15576030  -102390.19899860
  entropy T*S    EENTRO =        -0.00416410
  eigenvalues    EBANDS =       -35.55301602
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89827430 eV

  energy without entropy =      -13.89411020  energy(sigma->0) =      -13.89688626
  exchange ACFDT corr.  =        -0.00470644  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7262: real time      0.7317
    SETDIJ:  cpu time      1.2508: real time      1.2558
    TRIAL :  cpu time    588.6626: real time    593.4825
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2264: real time      0.2281
    --------------------------------------------
      LOOP:  cpu time    590.8703: real time    595.7025

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5056208E-04  (-0.4100911E-04)
 number of electron      15.0000000 magnetization      -0.0000638
 augmentation part       -0.0001394 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26387007
  -exchange      EXHF   =        33.30151446
  -V(xc)+E(xc)   XCENC  =       -83.53495720
  PAW double counting   =    102183.41725411  -102082.46056784
  entropy T*S    EENTRO =        -0.00419385
  eigenvalues    EBANDS =       -35.55236338
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89832486 eV

  energy without entropy =      -13.89413101  energy(sigma->0) =      -13.89692691
  exchange ACFDT corr.  =        -0.00472944  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2506: real time      1.2558
    TRIAL :  cpu time    589.2217: real time    594.0556
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2273: real time      0.2290
    --------------------------------------------
      LOOP:  cpu time    591.4290: real time    596.2754

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3926142E-04  (-0.3089476E-04)
 number of electron      15.0000000 magnetization      -0.0000647
 augmentation part       -0.0002835 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26468907
  -exchange      EXHF   =        33.30171879
  -V(xc)+E(xc)   XCENC  =       -83.53498202
  PAW double counting   =    101864.38434494  -101763.42772441
  entropy T*S    EENTRO =        -0.00421992
  eigenvalues    EBANDS =       -35.55166765
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89836412 eV

  energy without entropy =      -13.89414420  energy(sigma->0) =      -13.89695748
  exchange ACFDT corr.  =        -0.00475000  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2529: real time      1.2581
    TRIAL :  cpu time    589.2139: real time    594.0219
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2260: real time      0.2278
    --------------------------------------------
      LOOP:  cpu time    591.4223: real time    596.2426

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2982802E-04  (-0.2319173E-04)
 number of electron      15.0000000 magnetization      -0.0000653
 augmentation part       -0.0003993 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26546198
  -exchange      EXHF   =        33.30190624
  -V(xc)+E(xc)   XCENC  =       -83.53499664
  PAW double counting   =    101583.41562957  -101482.45892012
  entropy T*S    EENTRO =        -0.00424291
  eigenvalues    EBANDS =       -35.55116025
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89839395 eV

  energy without entropy =      -13.89415104  energy(sigma->0) =      -13.89697964
  exchange ACFDT corr.  =        -0.00476851  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7248: real time      0.7303
    SETDIJ:  cpu time      1.2516: real time      1.2569
    TRIAL :  cpu time    586.1875: real time    591.0066
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2261: real time      0.2279
    --------------------------------------------
      LOOP:  cpu time    588.3944: real time    593.2260

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2263171E-04  (-0.1764668E-04)
 number of electron      15.0000000 magnetization      -0.0000656
 augmentation part       -0.0004861 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26630375
  -exchange      EXHF   =        33.30207841
  -V(xc)+E(xc)   XCENC  =       -83.53500412
  PAW double counting   =    101360.50503848  -101259.54822851
  entropy T*S    EENTRO =        -0.00426331
  eigenvalues    EBANDS =       -35.55058335
  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      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2514: real time      1.2566
    TRIAL :  cpu time    586.3339: real time    591.1398
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2265: real time      0.2283
    --------------------------------------------
      LOOP:  cpu time    588.5409: real time    593.3593

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1739702E-04  (-0.1377372E-04)
 number of electron      15.0000000 magnetization      -0.0000656
 augmentation part       -0.0005481 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26723897
  -exchange      EXHF   =        33.30223528
  -V(xc)+E(xc)   XCENC  =       -83.53500960
  PAW double counting   =    101197.70408995  -101096.74724542
  entropy T*S    EENTRO =        -0.00428148
  eigenvalues    EBANDS =       -35.54983106
  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      0.7266: real time      0.7321
    SETDIJ:  cpu time      1.2517: real time      1.2567
    TRIAL :  cpu time    587.2429: real time    592.0342
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2254: real time      0.2272
    --------------------------------------------
      LOOP:  cpu time    589.4513: real time    594.2548

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1365642E-04  (-0.1099926E-04)
 number of electron      15.0000000 magnetization      -0.0000654
 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   =      -704.26817348
  -exchange      EXHF   =        33.30237649
  -V(xc)+E(xc)   XCENC  =       -83.53501659
  PAW double counting   =    101086.43156484  -100985.47471376
  entropy T*S    EENTRO =        -0.00429772
  eigenvalues    EBANDS =       -35.54903281
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89844763 eV

  energy without entropy =      -13.89414992  energy(sigma->0) =      -13.89701506
  exchange ACFDT corr.  =        -0.00481393  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7259: real time      0.7313
    SETDIJ:  cpu time      1.2513: real time      1.2563
    TRIAL :  cpu time    592.4321: real time    597.2213
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2261: real time      0.2279
    --------------------------------------------
      LOOP:  cpu time    594.6410: real time    599.4424

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1091418E-04  (-0.8910057E-05)
 number of electron      15.0000000 magnetization      -0.0000649
 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   =      -704.26898178
  -exchange      EXHF   =        33.30250257
  -V(xc)+E(xc)   XCENC  =       -83.53502592
  PAW double counting   =    101014.89253711  -100913.93569108
  entropy T*S    EENTRO =        -0.00431228
  eigenvalues    EBANDS =       -35.54833089
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89845855 eV

  energy without entropy =      -13.89414627  energy(sigma->0) =      -13.89702112
  exchange ACFDT corr.  =        -0.00482634  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7258: real time      0.7312
    SETDIJ:  cpu time      1.2518: real time      1.2570
    TRIAL :  cpu time    587.5993: real time    592.3404
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    580.3102: real time    585.0345
    CHARGE:  cpu time      0.2253: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time   1170.1169: real time   1179.5946

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8823321E-05  (-0.7261698E-05)
 number of electron      15.0000000 magnetization      -0.0000643
 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   =      -704.26967533
  -exchange      EXHF   =        33.30271622
  -V(xc)+E(xc)   XCENC  =       -83.53503692
  PAW double counting   =    100971.60941639  -100870.65257885
  entropy T*S    EENTRO =        -0.00432538
  eigenvalues    EBANDS =       -35.54772470
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89846737 eV

  energy without entropy =      -13.89414199  energy(sigma->0) =      -13.89702558
  exchange ACFDT corr.  =        -0.00483757  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   2.3934


 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:         3.1510189961

 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      12.0877      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      12.0880      0.00000
     13      12.5274      0.00000
     14      12.8292      0.00000
     15      14.0933      0.00000
     16      14.5363      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      12.0853      0.00000
     13      12.6468      0.00000
     14      12.7199      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      12.1272      0.00000
     13      12.5683      0.00000
     14      12.7514      0.00000
     15      13.8544      0.00000
     16      14.6068      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       9.7340      0.00000
     13      10.2598      0.00000
     14      11.3794      0.00000
     15      12.5087      0.00000
     16      12.7248      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       8.4932     -0.00000
     11       8.6425     -0.00000
     12       9.7346      0.00000
     13      10.2419      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       9.7346      0.00000
     13      10.2493      0.00000
     14      11.8968      0.00000
     15      11.9831      0.00000
     16      12.9139      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      12.1353      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      10.5436      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      11.8219      0.00000
     14      11.8874      0.00000
     15      11.9092      0.00000
     16      12.4903      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      11.4347      0.00000
     13      11.8076      0.00000
     14      11.9027      0.00000
     15      11.9967      0.00000
     16      12.6917      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       8.4814     -0.00000
     12      11.4345      0.00000
     13      11.7133      0.00000
     14      11.9085      0.00000
     15      11.9646      0.00000
     16      12.4624      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      0.82208
      8       5.8560     -0.00000
      9       6.6156     -0.00000
     10       7.8589     -0.00000
     11       8.5320     -0.00000
     12       9.0696      0.00000
     13       9.4330      0.00000
     14       9.8630      0.00000
     15      10.1493      0.00000
     16      10.5986      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
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      8       5.8559     -0.00000
      9       6.6157     -0.00000
     10       7.8591     -0.00000
     11       8.5319     -0.00000
     12       9.0647      0.00000
     13       9.4227      0.00000
     14       9.7722      0.00000
     15      10.1762      0.00000
     16      10.7027      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
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      8       5.8559     -0.00000
      9       6.6157     -0.00000
     10       7.8586     -0.00000
     11       8.5319     -0.00000
     12       9.0635      0.00000
     13       9.4215      0.00000
     14       9.7858      0.00000
     15      10.3527      0.00000
     16      10.6814      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       8.5320     -0.00000
     12       9.0677      0.00000
     13       9.4295      0.00000
     14       9.8093      0.00000
     15      10.2348      0.00000
     16      10.6078      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      0.82207
      8       5.8560     -0.00000
      9       6.6157     -0.00000
     10       7.8590     -0.00000
     11       8.5320     -0.00000
     12       9.0649      0.00000
     13       9.4404      0.00000
     14       9.9149      0.00000
     15      10.1115      0.00000
     16      10.5947      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      0.82205
      8       5.8560     -0.00000
      9       6.6156     -0.00000
     10       7.8589     -0.00000
     11       8.5319     -0.00000
     12       9.0699      0.00000
     13       9.4159      0.00000
     14       9.9307      0.00000
     15      10.1361      0.00000
     16      10.5747      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       7.8404     -0.00000
     13       8.1574      0.00000
     14       9.3809      0.00000
     15       9.5242      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       7.7924     -0.00000
     13       8.1605      0.00000
     14       9.3391      0.00000
     15       9.8467      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       7.7811     -0.00000
     13       8.1384      0.00000
     14       9.0740      0.00000
     15       9.9392      0.00000
     16      10.1172      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       8.0060     -0.00000
     13       8.1642      0.00000
     14       9.1441      0.00000
     15       9.8553      0.00000
     16       9.8766      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       7.7775     -0.00000
     13       8.1562      0.00000
     14       9.0515      0.00000
     15       9.8913      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       7.8151     -0.00000
     13       8.1496      0.00000
     14       9.2435      0.00000
     15       9.9739      0.00000
     16      10.0810      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       8.5228      0.00000
     14       8.5519      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      1.00797
      9       3.4918     -0.01855
     10       5.2152     -0.00000
     11       5.9152     -0.00000
     12       7.3327     -0.00000
     13       8.4426      0.00000
     14       8.5743      0.00000
     15       8.8787      0.00000
     16       9.2507      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       8.1746      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      -2.3047      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       8.6130      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       8.4170      0.00000
     14       8.6561      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       8.2947      0.00000
     14       8.7438      0.00000
     15       8.8727      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       8.8990      0.00000
     16       9.9037      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       8.9012      0.00000
     16       9.8767      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       7.6286      0.00000
     14       8.0223      0.00000
     15       8.9593      0.00000
     16      10.0175      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       8.6604      0.00000
     16       9.7681      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       8.2541      0.00000
     14       8.2767      0.00000
     15       8.8512      0.00000
     16       8.8976      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       7.5430      0.00000
     14       8.1162      0.00000
     15       8.7756      0.00000
     16      10.5496      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       9.4761      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       7.3009      0.00000
     14       8.0198      0.00000
     15       8.0502      0.00000
     16       8.6303      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       4.0442     -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       7.6915      0.00000
     14       7.7906      0.00000
     15       8.2780      0.00000
     16       8.2860      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      0.59489
      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      0.59475
      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       7.5134      0.00000
     14       7.8500      0.00000
     15       8.2472      0.00000
     16       8.4390      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       8.8929      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       7.6712      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       7.4094      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       9.0209      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       2.2461      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      -1.0632      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       4.1206     -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:         3.1510189961

 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      12.1953      0.00000
     14      16.4601      0.00000
     15      16.4981      0.00000
     16      16.5739      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      12.1196      0.00000
     13      12.6006      0.00000
     14      12.7278      0.00000
     15      13.8078      0.00000
     16      14.5197      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      12.1195      0.00000
     13      12.6175      0.00000
     14      12.7046      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      12.0948      0.00000
     13      12.6771      0.00000
     14      12.6865      0.00000
     15      13.8903      0.00000
     16      14.4579      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       9.7335      0.00000
     13      10.2396      0.00000
     14      11.3604      0.00000
     15      12.5668      0.00000
     16      12.9157      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       9.7334      0.00000
     13      10.2611      0.00000
     14      11.4247      0.00000
     15      12.5069      0.00000
     16      12.6740      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       9.7335      0.00000
     13      10.2297      0.00000
     14      11.6705      0.00000
     15      12.4771      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       9.7250      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      10.4238      0.00000
     16      10.7370      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      11.8959      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      11.4346      0.00000
     13      11.7664      0.00000
     14      11.8157      0.00000
     15      11.9173      0.00000
     16      12.6047      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      11.4364      0.00000
     13      11.7747      0.00000
     14      11.8544      0.00000
     15      11.9376      0.00000
     16      12.6378      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       9.0662      0.00000
     13       9.4385      0.00000
     14       9.8107      0.00000
     15      10.1520      0.00000
     16      10.6332      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      0.82251
      8       5.8558     -0.00000
      9       6.6159     -0.00000
     10       7.8591     -0.00000
     11       8.5320     -0.00000
     12       9.0681      0.00000
     13       9.4201      0.00000
     14       9.7875      0.00000
     15      10.4482      0.00000
     16      10.6288      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       9.0629      0.00000
     13       9.4225      0.00000
     14       9.8328      0.00000
     15      10.1768      0.00000
     16      10.6303      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       5.8560     -0.00000
      9       6.6158     -0.00000
     10       7.8595     -0.00000
     11       8.5321     -0.00000
     12       9.0668      0.00000
     13       9.4293      0.00000
     14       9.8116      0.00000
     15      10.2819      0.00000
     16      10.5376      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       9.0738      0.00000
     13       9.4352      0.00000
     14       9.9344      0.00000
     15      10.1803      0.00000
     16      10.4966      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       9.0821      0.00000
     13       9.4428      0.00000
     14       9.8669      0.00000
     15      10.2304      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       7.8448     -0.00000
     13       8.1535      0.00000
     14       9.1393      0.00000
     15       9.7861      0.00000
     16       9.9287      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       7.7900     -0.00000
     13       8.1471      0.00000
     14       9.2125      0.00000
     15       9.6902      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       7.8017     -0.00000
     13       8.1605      0.00000
     14       9.1108      0.00000
     15       9.8616      0.00000
     16       9.9584      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       7.7909     -0.00000
     13       8.1540      0.00000
     14       9.1393      0.00000
     15       9.6711      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       7.8123     -0.00000
     13       8.1531      0.00000
     14       9.2020      0.00000
     15       9.8616      0.00000
     16       9.8631      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       7.8285     -0.00000
     13       8.1554      0.00000
     14       9.4703      0.00000
     15       9.4718      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       8.7250      0.00000
     14       8.8026      0.00000
     15       8.9312      0.00000
     16       8.9766      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       7.3325     -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       8.3652      0.00000
     14       8.6676      0.00000
     15       8.9666      0.00000
     16       9.1437      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       8.4085      0.00000
     14       8.6919      0.00000
     15       8.8173      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       8.3186      0.00000
     14       8.7524      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       8.6761      0.00000
     15       8.8948      0.00000
     16       9.4672      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       7.7948      0.00000
     14       7.8024      0.00000
     15       8.7719      0.00000
     16      10.1652      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       8.8579      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       7.7490      0.00000
     14       7.7966      0.00000
     15       9.0877      0.00000
     16       9.4685      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       7.5680      0.00000
     14       8.0185      0.00000
     15       9.3718      0.00000
     16       9.7967      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       8.7548      0.00000
     16       9.9849      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       9.0566      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       9.2916      0.00000
     16       9.8977      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       7.1902      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       7.2168      0.00000
     14       8.3564      0.00000
     15       8.3783      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       7.9718      0.00000
     15       8.4740      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      0.59459
      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       7.1385      0.00000
     14       7.8400      0.00000
     15       8.3920      0.00000
     16       8.6478      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       8.1624      0.00000
     15       8.1873      0.00000
     16       8.6420      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       7.1075      0.00000
     14       7.1753      0.00000
     15       7.3691      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       8.9105      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       6.7394      0.00000
     14       7.3717      0.00000
     15       7.5950      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       8.7725      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    414.2885: real time    417.2270
    FORNL :  cpu time      0.5017: real time      0.5069
    FORCOR:  cpu time      1.9733: real time      1.9839
    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
 -----------------------------------------------------------------------------------------------
   0.407E-04 -.518E-04 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.109E-03 0.544E-04 -.126E+01
   0.719E-05 0.220E-03 0.913E+02   -.299E-14 0.229E-14 -.913E+02   0.389E-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
   0.402E-04 0.213E-03 -.913E+02   0.132E-12 0.810E-13 0.913E+02   -.714E-04 -.233E-03 -.195E+00
   -.278E-03 0.508E-04 -.183E+03   -.476E-13 -.263E-13 0.182E+03   0.291E-03 -.599E-04 0.126E+01
 -----------------------------------------------------------------------------------------------
   -.496E-03 0.219E-03 0.118E-02   -.971E-14 0.313E-14 -.568E-13   0.453E-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      0.146684
      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=      -13.89414199  energy(sigma->0) =      -13.89702558
 


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


    POTLOK:  cpu time      1.9748: real time      1.9854


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.196E-02   g(Stress)= 0.000E+00

 Reset! Starting new Quasi-Newton update for ions 


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


    WAVPRE:  cpu time      1.2353: real time      1.4125
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9736: real time      1.9849
    EDDIAG:  cpu time    587.1937: real time    592.0854
    CHARGE:  cpu time      0.2644: real time      0.2663
 writing wavefunctions
     LOOP+:  cpu time  18153.5516: real time  18303.5048


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


    POTLOK:  cpu time      0.7278: real time      0.7332
    SETDIJ:  cpu time      1.2453: real time      1.2504
    TRIAL :  cpu time    585.7956: real time    590.7622
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    588.0481: real time    593.0279

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7308719E-03  (-0.1961888E-02)
 number of electron      15.0000000 magnetization      -0.0000598
 augmentation part       -0.0007061 magnetization      -0.0000016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -704.36305900
  -exchange      EXHF   =        33.29950792
  -V(xc)+E(xc)   XCENC  =       -83.53632846
  PAW double counting   =    100933.10869509  -100832.15150197
  entropy T*S    EENTRO =        -0.00466522
  eigenvalues    EBANDS =       -34.88165589
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89772768 eV

  energy without entropy =      -13.89306245  energy(sigma->0) =      -13.89617260
  exchange ACFDT corr.  =        -0.00504188  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7248: real time      0.7303
    SETDIJ:  cpu time      1.2412: real time      1.2463
    TRIAL :  cpu time    586.6732: real time    591.6132
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    588.9090: real time    593.8617

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1011495E-02  (-0.1432871E-02)
 number of electron      15.0000000 magnetization      -0.0000595
 augmentation part       -0.0007062 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.83623560
  -exchange      EXHF   =        33.29664318
  -V(xc)+E(xc)   XCENC  =       -83.53738596
  PAW double counting   =    100923.24646173  -100822.28921634
  entropy T*S    EENTRO =        -0.00466700
  eigenvalues    EBANDS =       -35.40563479
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89873917 eV

  energy without entropy =      -13.89407217  energy(sigma->0) =      -13.89718350
  exchange ACFDT corr.  =        -0.00501949  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7261: real time      0.7316
    SETDIJ:  cpu time      1.2475: real time      1.2526
    TRIAL :  cpu time    589.5341: real time    594.4664
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    591.7782: real time    596.7231

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8315287E-03  (-0.4040903E-03)
 number of electron      15.0000000 magnetization      -0.0000593
 augmentation part       -0.0007114 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.56383772
  -exchange      EXHF   =        33.29443855
  -V(xc)+E(xc)   XCENC  =       -83.53821315
  PAW double counting   =    100916.25795089  -100815.30061889
  entropy T*S    EENTRO =        -0.00468682
  eigenvalues    EBANDS =       -35.67591722
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89957070 eV

  energy without entropy =      -13.89488388  energy(sigma->0) =      -13.89800843
  exchange ACFDT corr.  =        -0.00501054  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7258: real time      0.7312
    SETDIJ:  cpu time      1.2508: real time      1.2558
    TRIAL :  cpu time    588.7038: real time    593.6393
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    590.9509: real time    595.8990

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2511595E-03  (-0.2586877E-03)
 number of electron      15.0000000 magnetization      -0.0000586
 augmentation part       -0.0007187 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.63356774
  -exchange      EXHF   =        33.29399921
  -V(xc)+E(xc)   XCENC  =       -83.53842301
  PAW double counting   =    100914.03550938  -100813.07824774
  entropy T*S    EENTRO =        -0.00470246
  eigenvalues    EBANDS =       -35.60569899
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89982186 eV

  energy without entropy =      -13.89511940  energy(sigma->0) =      -13.89825437
  exchange ACFDT corr.  =        -0.00502185  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2461: real time      1.2511
    TRIAL :  cpu time    586.9187: real time    591.8257
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2665: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    589.1608: real time    594.0802

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1134557E-03  (-0.1880861E-03)
 number of electron      15.0000000 magnetization      -0.0000573
 augmentation part       -0.0007246 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.72932461
  -exchange      EXHF   =        33.29446083
  -V(xc)+E(xc)   XCENC  =       -83.53830912
  PAW double counting   =    100913.52995377  -100812.57280204
  entropy T*S    EENTRO =        -0.00470728
  eigenvalues    EBANDS =       -35.51050552
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89993531 eV

  energy without entropy =      -13.89522804  energy(sigma->0) =      -13.89836622
  exchange ACFDT corr.  =        -0.00503590  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7255: real time      0.7310
    SETDIJ:  cpu time      1.2449: real time      1.2501
    TRIAL :  cpu time    589.8106: real time    594.7179
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    592.0509: real time    596.9707

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1171024E-03  (-0.6478095E-04)
 number of electron      15.0000000 magnetization      -0.0000558
 augmentation part       -0.0007282 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.72706909
  -exchange      EXHF   =        33.29502118
  -V(xc)+E(xc)   XCENC  =       -83.53814640
  PAW double counting   =    100914.39500457  -100813.43795315
  entropy T*S    EENTRO =        -0.00471150
  eigenvalues    EBANDS =       -35.51349609
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90005242 eV

  energy without entropy =      -13.89534092  energy(sigma->0) =      -13.89848192
  exchange ACFDT corr.  =        -0.00504427  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7262: real time      0.7317
    SETDIJ:  cpu time      1.2469: real time      1.2520
    TRIAL :  cpu time    585.5979: real time    590.5104
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2655: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    587.8407: real time    592.7659

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4316893E-04  (-0.4592194E-04)
 number of electron      15.0000000 magnetization      -0.0000543
 augmentation part       -0.0007291 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.71711950
  -exchange      EXHF   =        33.29550965
  -V(xc)+E(xc)   XCENC  =       -83.53799069
  PAW double counting   =    100916.39871334  -100815.44163204
  entropy T*S    EENTRO =        -0.00471985
  eigenvalues    EBANDS =       -35.52415870
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90009559 eV

  energy without entropy =      -13.89537574  energy(sigma->0) =      -13.89852230
  exchange ACFDT corr.  =        -0.00505209  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7266: real time      0.7321
    SETDIJ:  cpu time      1.2468: real time      1.2520
    TRIAL :  cpu time    586.5056: real time    591.4237
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2645: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    588.7482: real time    593.6791

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2333475E-04  (-0.2768421E-04)
 number of electron      15.0000000 magnetization      -0.0000526
 augmentation part       -0.0007279 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.75537715
  -exchange      EXHF   =        33.29590292
  -V(xc)+E(xc)   XCENC  =       -83.53785577
  PAW double counting   =    100920.62045476  -100819.66338695
  entropy T*S    EENTRO =        -0.00472828
  eigenvalues    EBANDS =       -35.48643072
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90011892 eV

  energy without entropy =      -13.89539064  energy(sigma->0) =      -13.89854283
  exchange ACFDT corr.  =        -0.00506167  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7250: real time      0.7305
    SETDIJ:  cpu time      1.2468: real time      1.2519
    TRIAL :  cpu time    586.7994: real time    591.7216
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    589.0409: real time    593.9759

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1810120E-04  (-0.1169919E-04)
 number of electron      15.0000000 magnetization      -0.0000510
 augmentation part       -0.0007257 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.79313639
  -exchange      EXHF   =        33.29606652
  -V(xc)+E(xc)   XCENC  =       -83.53779806
  PAW double counting   =    100925.70082734  -100824.74378968
  entropy T*S    EENTRO =        -0.00473395
  eigenvalues    EBANDS =       -35.44887231
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90013702 eV

  energy without entropy =      -13.89540307  energy(sigma->0) =      -13.89855904
  exchange ACFDT corr.  =        -0.00506970  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7266: real time      0.7320
    SETDIJ:  cpu time      1.2466: real time      1.2515
    TRIAL :  cpu time    586.5894: real time    591.5382
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    587.6693: real time    592.5415
    CHARGE:  cpu time      0.2645: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time   1176.5011: real time   1186.3346

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8894480E-05  (-0.9538854E-05)
 number of electron      15.0000000 magnetization      -0.0000494
 augmentation part       -0.0007231 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990960
  -Hartree energ DENC   =      -703.78653529
  -exchange      EXHF   =        33.29583182
  -V(xc)+E(xc)   XCENC  =       -83.53782787
  PAW double counting   =    100930.40650652  -100829.44945503
  entropy T*S    EENTRO =        -0.00473780
  eigenvalues    EBANDS =       -35.45537785
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90014592 eV

  energy without entropy =      -13.89540812  energy(sigma->0) =      -13.89856665
  exchange ACFDT corr.  =        -0.00507447  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0333


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8872       2 -69.7747       3 -69.7855       4 -69.7850       5 -69.9053
 
 
 
 E-fermi :   3.1520     XC(G=0):  -5.1153     alpha+bet : -8.9779

 Fermi energy:         3.1519652867

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8970      1.00000
      2     -10.0314      1.00000
      3      -8.6456      1.00000
      4      -6.7413      1.00000
      5      -4.3230      1.00000
      6      -1.5859      1.00000
      7       1.6323      1.00000
      8       4.6604     -0.00000
      9       5.4200     -0.00000
     10       7.9347     -0.00000
     11       8.0035     -0.00000
     12      11.8985      0.00000
     13      12.1951      0.00000
     14      16.0828      0.00000
     15      16.3588      0.00000
     16      16.7828      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6886      1.00000
      2      -9.8224      1.00000
      3      -8.4355      1.00000
      4      -6.5295      1.00000
      5      -4.1070      1.00000
      6      -1.3757      1.00000
      7       1.8459      1.00000
      8       4.8429     -0.00000
      9       5.5943     -0.00000
     10       8.1025     -0.00000
     11       8.1684     -0.00000
     12      12.0249      0.00000
     13      12.2933      0.00000
     14      13.1154      0.00000
     15      13.9637      0.00000
     16      14.4925      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6886      1.00000
      2      -9.8224      1.00000
      3      -8.4355      1.00000
      4      -6.5295      1.00000
      5      -4.1070      1.00000
      6      -1.3757      1.00000
      7       1.8459      1.00000
      8       4.8429     -0.00000
      9       5.5943     -0.00000
     10       8.1025     -0.00000
     11       8.1684     -0.00000
     12      12.0250      0.00000
     13      12.2928      0.00000
     14      13.1152      0.00000
     15      13.8248      0.00000
     16      14.6302      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6886      1.00000
      2      -9.8224      1.00000
      3      -8.4355      1.00000
      4      -6.5295      1.00000
      5      -4.1070      1.00000
      6      -1.3757      1.00000
      7       1.8459      1.00000
      8       4.8429     -0.00000
      9       5.5943     -0.00000
     10       8.1025     -0.00000
     11       8.1684     -0.00000
     12      12.0246      0.00000
     13      12.2935      0.00000
     14      13.1154      0.00000
     15      13.8440      0.00000
     16      14.4858      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0630      1.00000
      2      -9.1952      1.00000
      3      -7.8051      1.00000
      4      -5.8939      1.00000
      5      -3.4601      1.00000
      6      -0.7465      1.00000
      7       2.4721      1.00001
      8       5.3730     -0.00000
      9       6.1121     -0.00000
     10       8.4857     -0.00000
     11       8.6375      0.00000
     12       9.7282      0.00000
     13      10.2360      0.00000
     14      11.3515      0.00000
     15      12.5178      0.00000
     16      12.7909      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0630      1.00000
      2      -9.1952      1.00000
      3      -7.8051      1.00000
      4      -5.8939      1.00000
      5      -3.4601      1.00000
      6      -0.7465      1.00000
      7       2.4721      1.00001
      8       5.3730     -0.00000
      9       6.1121     -0.00000
     10       8.4857     -0.00000
     11       8.6375      0.00000
     12       9.7282      0.00000
     13      10.2359      0.00000
     14      11.3516      0.00000
     15      12.5226      0.00000
     16      12.8408      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0630      1.00000
      2      -9.1952      1.00000
      3      -7.8051      1.00000
      4      -5.8939      1.00000
      5      -3.4601      1.00000
      6      -0.7465      1.00000
      7       2.4721      1.00001
      8       5.3730     -0.00000
      9       6.1121     -0.00000
     10       8.4857     -0.00000
     11       8.6375      0.00000
     12       9.7283      0.00000
     13      10.2381      0.00000
     14      11.3535      0.00000
     15      12.5205      0.00000
     16      12.9400      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.1489      1.00000
      3      -6.7533      1.00000
      4      -4.8347      1.00000
      5      -2.3883      1.00000
      6       0.2909      1.00000
      7       3.4281     -0.03270
      8       5.6461     -0.00000
      9       6.5549     -0.00000
     10       6.8360     -0.00000
     11       7.0586     -0.00000
     12       8.0397     -0.00000
     13       9.4149      0.00000
     14       9.5978      0.00000
     15       9.8146      0.00000
     16      11.6011      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.1489      1.00000
      3      -6.7533      1.00000
      4      -4.8347      1.00000
      5      -2.3883      1.00000
      6       0.2909      1.00000
      7       3.4281     -0.03270
      8       5.6461     -0.00000
      9       6.5549     -0.00000
     10       6.8360     -0.00000
     11       7.0586     -0.00000
     12       8.0397     -0.00000
     13       9.4147      0.00000
     14       9.5969      0.00000
     15       9.8149      0.00000
     16      11.7256      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.1489      1.00000
      3      -6.7533      1.00000
      4      -4.8347      1.00000
      5      -2.3883      1.00000
      6       0.2909      1.00000
      7       3.4281     -0.03270
      8       5.6461     -0.00000
      9       6.5549     -0.00000
     10       6.8360     -0.00000
     11       7.0586     -0.00000
     12       8.0397     -0.00000
     13       9.4147      0.00000
     14       9.5968      0.00000
     15       9.8150      0.00000
     16      12.0292      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5570      1.00000
      2      -6.6811      1.00000
      3      -5.2787      1.00000
      4      -3.3559      1.00000
      5      -0.9232      1.00000
      6       1.5766      1.00000
      7       2.5432      1.00007
      8       3.4854     -0.02043
      9       4.7743     -0.00000
     10       5.1422     -0.00000
     11       6.5422     -0.00000
     12       7.6799     -0.00000
     13       8.2200     -0.00000
     14       8.7207      0.00000
     15      10.5318      0.00000
     16      10.8498      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5570      1.00000
      2      -6.6811      1.00000
      3      -5.2787      1.00000
      4      -3.3559      1.00000
      5      -0.9232      1.00000
      6       1.5766      1.00000
      7       2.5432      1.00007
      8       3.4854     -0.02044
      9       4.7743     -0.00000
     10       5.1422     -0.00000
     11       6.5422     -0.00000
     12       7.6799     -0.00000
     13       8.2204     -0.00000
     14       8.7214      0.00000
     15      10.5368      0.00000
     16      10.8483      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5570      1.00000
      2      -6.6811      1.00000
      3      -5.2787      1.00000
      4      -3.3559      1.00000
      5      -0.9232      1.00000
      6       1.5766      1.00000
      7       2.5432      1.00007
      8       3.4854     -0.02043
      9       4.7743     -0.00000
     10       5.1422     -0.00000
     11       6.5422     -0.00000
     12       7.6799     -0.00000
     13       8.2200     -0.00000
     14       8.7209      0.00000
     15      10.5298      0.00000
     16      10.8481      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6706      1.00000
      2      -4.7893      1.00000
      3      -3.3862      1.00000
      4      -1.5057      1.00000
      5      -0.6707      1.00000
      6       0.0800      1.00000
      7       1.1081      1.00000
      8       1.9991      1.00000
      9       3.6615     -0.00096
     10       3.7521     -0.00010
     11       5.9453     -0.00000
     12       6.7192     -0.00000
     13       8.2396     -0.00000
     14       9.2301      0.00000
     15       9.7623      0.00000
     16      10.6926      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6706      1.00000
      2      -4.7893      1.00000
      3      -3.3862      1.00000
      4      -1.5057      1.00000
      5      -0.6707      1.00000
      6       0.0800      1.00000
      7       1.1081      1.00000
      8       1.9991      1.00000
      9       3.6615     -0.00096
     10       3.7521     -0.00010
     11       5.9453     -0.00000
     12       6.7192     -0.00000
     13       8.2403     -0.00000
     14       9.2206      0.00000
     15       9.7615      0.00000
     16      10.4443      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6706      1.00000
      2      -4.7893      1.00000
      3      -3.3862      1.00000
      4      -1.5057      1.00000
      5      -0.6707      1.00000
      6       0.0800      1.00000
      7       1.1081      1.00000
      8       1.9991      1.00000
      9       3.6615     -0.00096
     10       3.7521     -0.00010
     11       5.9453     -0.00000
     12       6.7192     -0.00000
     13       8.2397     -0.00000
     14       9.2249      0.00000
     15       9.7607      0.00000
     16      10.5522      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3492      1.00000
      3      -2.4996      1.00000
      4      -2.4726      1.00000
      5      -1.3273      1.00000
      6      -0.9254      1.00000
      7       0.6566      1.00000
      8       1.4007      1.00000
      9       3.3985     -0.03546
     10       3.5336     -0.01090
     11       5.6818     -0.00000
     12       6.0208     -0.00000
     13       8.4176     -0.00000
     14       8.8737      0.00000
     15      10.4729      0.00000
     16      10.5513      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3492      1.00000
      3      -2.4996      1.00000
      4      -2.4726      1.00000
      5      -1.3273      1.00000
      6      -0.9254      1.00000
      7       0.6566      1.00000
      8       1.4007      1.00000
      9       3.3985     -0.03546
     10       3.5336     -0.01090
     11       5.6818     -0.00000
     12       6.0208     -0.00000
     13       8.4178     -0.00000
     14       8.8732      0.00000
     15      10.4681      0.00000
     16      11.1829      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3492      1.00000
      3      -2.4996      1.00000
      4      -2.4726      1.00000
      5      -1.3273      1.00000
      6      -0.9254      1.00000
      7       0.6566      1.00000
      8       1.4007      1.00000
      9       3.3985     -0.03546
     10       3.5336     -0.01090
     11       5.6817     -0.00000
     12       6.0208     -0.00000
     13       8.4176     -0.00000
     14       8.8719      0.00000
     15      10.5422      0.00000
     16      10.5776      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.4043      1.00000
      3      -8.0153      1.00000
      4      -6.1058      1.00000
      5      -3.6755      1.00000
      6      -0.9559      1.00000
      7       2.2663      1.00000
      8       5.2011     -0.00000
      9       5.9409     -0.00000
     10       8.4266     -0.00000
     11       8.4759     -0.00000
     12      11.4337      0.00000
     13      11.4701      0.00000
     14      11.8824      0.00000
     15      11.9946      0.00000
     16      12.7019      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.4043      1.00000
      3      -8.0153      1.00000
      4      -6.1058      1.00000
      5      -3.6755      1.00000
      6      -0.9559      1.00000
      7       2.2663      1.00000
      8       5.2011     -0.00000
      9       5.9409     -0.00000
     10       8.4266     -0.00000
     11       8.4759     -0.00000
     12      11.4330      0.00000
     13      11.5420      0.00000
     14      11.8890      0.00000
     15      11.9752      0.00000
     16      12.7677      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.4043      1.00000
      3      -8.0153      1.00000
      4      -6.1058      1.00000
      5      -3.6755      1.00000
      6      -0.9559      1.00000
      7       2.2663      1.00000
      8       5.2011     -0.00000
      9       5.9409     -0.00000
     10       8.4266     -0.00000
     11       8.4759     -0.00000
     12      11.4338      0.00000
     13      11.4525      0.00000
     14      11.8977      0.00000
     15      12.0021      0.00000
     16      12.6760      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8157      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81761
      8       5.8482     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4305      0.00000
     14       9.8113      0.00000
     15      10.1822      0.00000
     16      10.6913      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8157      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81761
      8       5.8482     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4309      0.00000
     14       9.8089      0.00000
     15      10.1826      0.00000
     16      10.7006      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8157      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81762
      8       5.8482     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4302      0.00000
     14       9.8097      0.00000
     15      10.1946      0.00000
     16      10.7288      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8157      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81762
      8       5.8482     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4312      0.00000
     14       9.8112      0.00000
     15      10.1825      0.00000
     16      10.7019      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8157      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81761
      8       5.8482     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4321      0.00000
     14       9.8119      0.00000
     15      10.1864      0.00000
     16      10.6909      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8157      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81761
      8       5.8482     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0103      0.00000
     13       9.4303      0.00000
     14       9.8137      0.00000
     15      10.1845      0.00000
     16      10.6888      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6753     -0.00000
      9       5.3685     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7048     -0.00000
     13       8.1927     -0.00000
     14       8.9206      0.00000
     15       9.6954      0.00000
     16      10.2507      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6752     -0.00000
      9       5.3685     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7051     -0.00000
     13       8.1927     -0.00000
     14       8.9798      0.00000
     15       9.9152      0.00000
     16      10.1845      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6753     -0.00000
      9       5.3685     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7048     -0.00000
     13       8.1927     -0.00000
     14       8.9561      0.00000
     15       9.7674      0.00000
     16      10.2988      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6753     -0.00000
      9       5.3685     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7050     -0.00000
     13       8.1927     -0.00000
     14       9.0242      0.00000
     15       9.6686      0.00000
     16      10.2974      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6753     -0.00000
      9       5.3685     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7049     -0.00000
     13       8.1927     -0.00000
     14       8.9511      0.00000
     15       9.7030      0.00000
     16      10.2201      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6752     -0.00000
      9       5.3685     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7050     -0.00000
     13       8.1927     -0.00000
     14       8.9435      0.00000
     15      10.0613      0.00000
     16      10.2780      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00531
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9158     -0.00000
     12       7.3339     -0.00000
     13       7.9810     -0.00000
     14       8.7133      0.00000
     15       9.1004      0.00000
     16       9.1693      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00534
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9158     -0.00000
     12       7.3339     -0.00000
     13       7.9889     -0.00000
     14       8.6944      0.00000
     15       9.1092      0.00000
     16       9.1886      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00530
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9158     -0.00000
     12       7.3339     -0.00000
     13       7.9849     -0.00000
     14       8.6723      0.00000
     15       9.0956      0.00000
     16       9.1165      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00531
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9158     -0.00000
     12       7.3339     -0.00000
     13       7.9790     -0.00000
     14       8.6784      0.00000
     15       9.1116      0.00000
     16       9.1346      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00530
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9158     -0.00000
     12       7.3339     -0.00000
     13       7.9799     -0.00000
     14       8.7078      0.00000
     15       9.1085      0.00000
     16       9.3177      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00533
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9158     -0.00000
     12       7.3339     -0.00000
     13       7.9835     -0.00000
     14       8.6806      0.00000
     15       9.1153      0.00000
     16       9.1263      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1435      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3592      1.00000
      7       0.6293      1.00000
      8       2.3029      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0286     -0.00000
     13       7.4904     -0.00000
     14       8.0148     -0.00000
     15       8.8172      0.00000
     16       9.7743      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1435      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3592      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0286     -0.00000
     13       7.4913     -0.00000
     14       8.0151     -0.00000
     15       8.8268      0.00000
     16       9.8511      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1435      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3592      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0286     -0.00000
     13       7.4908     -0.00000
     14       8.0141     -0.00000
     15       8.8947      0.00000
     16       9.9209      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1435      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3592      1.00000
      7       0.6293      1.00000
      8       2.3029      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0286     -0.00000
     13       7.4907     -0.00000
     14       8.0148     -0.00000
     15       8.8120      0.00000
     16       9.7547      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1435      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3592      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0286     -0.00000
     13       7.4934     -0.00000
     14       8.0209     -0.00000
     15       8.8204      0.00000
     16       9.7478      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1435      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3592      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4903     -0.00000
     14       8.0147     -0.00000
     15       8.8629      0.00000
     16      10.4635      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.5206      1.00000
      3      -6.1217      1.00000
      4      -4.1996      1.00000
      5      -1.7507      1.00000
      6       0.9049      1.00000
      7       3.9672     -0.00000
      8       6.0183     -0.00000
      9       6.4871     -0.00000
     10       7.1994     -0.00000
     11       7.3358     -0.00000
     12       7.4433     -0.00000
     13       7.6072     -0.00000
     14       8.3698     -0.00000
     15       9.0004      0.00000
     16      10.1117      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.5206      1.00000
      3      -6.1217      1.00000
      4      -4.1996      1.00000
      5      -1.7507      1.00000
      6       0.9049      1.00000
      7       3.9672     -0.00000
      8       6.0183     -0.00000
      9       6.4871     -0.00000
     10       7.1994     -0.00000
     11       7.3358     -0.00000
     12       7.4433     -0.00000
     13       7.6072     -0.00000
     14       8.3696     -0.00000
     15       8.7385      0.00000
     16      10.0823      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.5206      1.00000
      3      -6.1217      1.00000
      4      -4.1996      1.00000
      5      -1.7507      1.00000
      6       0.9049      1.00000
      7       3.9672     -0.00000
      8       6.0183     -0.00000
      9       6.4871     -0.00000
     10       7.1994     -0.00000
     11       7.3358     -0.00000
     12       7.4433     -0.00000
     13       7.6063     -0.00000
     14       8.3515     -0.00000
     15       8.7299      0.00000
     16      10.0639      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1317      0.59520
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0153     -0.00000
     14       7.7578     -0.00000
     15       8.4451     -0.00000
     16       8.7654      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7242      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1317      0.59518
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0153     -0.00000
     14       7.7600     -0.00000
     15       8.4555     -0.00000
     16       8.7746      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59521
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8947     -0.00000
     12       6.4576     -0.00000
     13       7.0161     -0.00000
     14       7.7601     -0.00000
     15       8.4519     -0.00000
     16       8.7682      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1317      0.59517
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8947     -0.00000
     12       6.4576     -0.00000
     13       7.0154     -0.00000
     14       7.7614     -0.00000
     15       8.4616     -0.00000
     16       8.7679      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7242      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59523
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0161     -0.00000
     14       7.7611     -0.00000
     15       8.4445     -0.00000
     16       8.7746      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1317      0.59518
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8947     -0.00000
     12       6.4576     -0.00000
     13       7.0154     -0.00000
     14       7.7587     -0.00000
     15       8.4580     -0.00000
     16       8.7642      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8882      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0706     -0.00000
     10       4.2845     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6188     -0.00000
     14       7.3873     -0.00000
     15       7.5345     -0.00000
     16       8.8750      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8882      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2845     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6192     -0.00000
     14       7.3839     -0.00000
     15       7.5371     -0.00000
     16       8.8728      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8882      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0706     -0.00000
     10       4.2845     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6189     -0.00000
     14       7.3854     -0.00000
     15       7.5353     -0.00000
     16       8.8762      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8882      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0706     -0.00000
     10       4.2845     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6188     -0.00000
     14       7.3848     -0.00000
     15       7.5345     -0.00000
     16       8.8927      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8882      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2845     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6189     -0.00000
     14       7.3853     -0.00000
     15       7.5379     -0.00000
     16       8.8972      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8882      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2845     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6188     -0.00000
     14       7.3843     -0.00000
     15       7.5394     -0.00000
     16       9.1714      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7470      1.00000
      2      -2.7236      1.00000
      3      -1.8663      1.00000
      4      -1.8607      1.00000
      5      -0.7137      1.00000
      6      -0.3121      1.00000
      7       1.2568      1.00000
      8       1.9906      1.00000
      9       3.7760     -0.00005
     10       3.9142     -0.00000
     11       4.7082     -0.00000
     12       5.7306     -0.00000
     13       6.3981     -0.00000
     14       6.7496     -0.00000
     15       7.1063     -0.00000
     16       8.9856      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7470      1.00000
      2      -2.7236      1.00000
      3      -1.8663      1.00000
      4      -1.8607      1.00000
      5      -0.7137      1.00000
      6      -0.3121      1.00000
      7       1.2568      1.00000
      8       1.9905      1.00000
      9       3.7760     -0.00005
     10       3.9142     -0.00000
     11       4.7082     -0.00000
     12       5.7306     -0.00000
     13       6.3979     -0.00000
     14       6.7496     -0.00000
     15       7.1063     -0.00000
     16       8.9514      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7470      1.00000
      2      -2.7236      1.00000
      3      -1.8663      1.00000
      4      -1.8607      1.00000
      5      -0.7137      1.00000
      6      -0.3122      1.00000
      7       1.2567      1.00000
      8       1.9906      1.00000
      9       3.7760     -0.00005
     10       3.9142     -0.00000
     11       4.7082     -0.00000
     12       5.7306     -0.00000
     13       6.3980     -0.00000
     14       6.7497     -0.00000
     15       7.1064     -0.00000
     16       8.8784      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2533      1.00000
      2      -4.3714      1.00000
      3      -2.9660      1.00000
      4      -1.0682      1.00000
      5       1.1567      1.00000
      6       2.0936      1.00000
      7       2.2513      1.00000
      8       2.9539      1.02516
      9       3.3987     -0.03546
     10       4.2028     -0.00000
     11       4.4796     -0.00000
     12       4.8357     -0.00000
     13       6.2257     -0.00000
     14       6.8669     -0.00000
     15       7.2690     -0.00000
     16       8.7343      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2533      1.00000
      2      -4.3714      1.00000
      3      -2.9660      1.00000
      4      -1.0682      1.00000
      5       1.1567      1.00000
      6       2.0936      1.00000
      7       2.2513      1.00000
      8       2.9539      1.02517
      9       3.3987     -0.03546
     10       4.2028     -0.00000
     11       4.4796     -0.00000
     12       4.8357     -0.00000
     13       6.2257     -0.00000
     14       6.8670     -0.00000
     15       7.2693     -0.00000
     16       8.8894      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2533      1.00000
      2      -4.3714      1.00000
      3      -2.9660      1.00000
      4      -1.0682      1.00000
      5       1.1567      1.00000
      6       2.0936      1.00000
      7       2.2512      1.00000
      8       2.9539      1.02516
      9       3.3987     -0.03546
     10       4.2029     -0.00000
     11       4.4796     -0.00000
     12       4.8357     -0.00000
     13       6.2258     -0.00000
     14       6.8673     -0.00000
     15       7.2708     -0.00000
     16       8.7236      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1794      0.38959
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1663     -0.00000
     15       6.3845     -0.00000
     16       8.2470     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1793      0.39001
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1664     -0.00000
     15       6.3846     -0.00000
     16       8.3731     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1794      0.38957
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1663     -0.00000
     15       6.3846     -0.00000
     16       8.4288     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1794      0.38954
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1664     -0.00000
     15       6.3846     -0.00000
     16       8.3335     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1793      0.38982
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1663     -0.00000
     15       6.3845     -0.00000
     16       8.2772     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1793      0.38985
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0520     -0.00000
     14       6.1665     -0.00000
     15       6.3846     -0.00000
     16       8.4514     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8786      1.00000
      2      -0.8733      1.00000
      3      -0.8385      1.00000
      4      -0.0530      1.00000
      5       0.0028      1.00000
      6       0.0044      1.00000
      7       1.0554      1.00000
      8       1.0654      1.00000
      9       1.7761      1.00000
     10       2.6963      1.00289
     11       4.1069     -0.00000
     12       4.1236     -0.00000
     13       5.9988     -0.00000
     14       6.0046     -0.00000
     15       6.0621     -0.00000
     16       8.0318     -0.00000
 Fermi energy:         3.1519652867

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8970      1.00000
      2     -10.0314      1.00000
      3      -8.6456      1.00000
      4      -6.7414      1.00000
      5      -4.3230      1.00000
      6      -1.5859      1.00000
      7       1.6322      1.00000
      8       4.6604     -0.00000
      9       5.4200     -0.00000
     10       7.9347     -0.00000
     11       8.0035     -0.00000
     12      11.8983      0.00000
     13      12.1949      0.00000
     14      16.1016      0.00000
     15      16.4546      0.00000
     16      16.9142      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6886      1.00000
      2      -9.8224      1.00000
      3      -8.4355      1.00000
      4      -6.5295      1.00000
      5      -4.1070      1.00000
      6      -1.3758      1.00000
      7       1.8459      1.00000
      8       4.8429     -0.00000
      9       5.5943     -0.00000
     10       8.1025     -0.00000
     11       8.1683     -0.00000
     12      12.0248      0.00000
     13      12.2931      0.00000
     14      13.1155      0.00000
     15      13.8233      0.00000
     16      14.4045      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6886      1.00000
      2      -9.8224      1.00000
      3      -8.4355      1.00000
      4      -6.5295      1.00000
      5      -4.1070      1.00000
      6      -1.3758      1.00000
      7       1.8459      1.00000
      8       4.8429     -0.00000
      9       5.5943     -0.00000
     10       8.1025     -0.00000
     11       8.1683     -0.00000
     12      12.0248      0.00000
     13      12.2926      0.00000
     14      13.1153      0.00000
     15      13.8209      0.00000
     16      14.3416      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6886      1.00000
      2      -9.8224      1.00000
      3      -8.4355      1.00000
      4      -6.5295      1.00000
      5      -4.1070      1.00000
      6      -1.3758      1.00000
      7       1.8459      1.00000
      8       4.8429     -0.00000
      9       5.5943     -0.00000
     10       8.1025     -0.00000
     11       8.1683     -0.00000
     12      12.0245      0.00000
     13      12.2928      0.00000
     14      13.1159      0.00000
     15      13.8735      0.00000
     16      14.4284      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0630      1.00000
      2      -9.1952      1.00000
      3      -7.8051      1.00000
      4      -5.8939      1.00000
      5      -3.4601      1.00000
      6      -0.7465      1.00000
      7       2.4720      1.00001
      8       5.3729     -0.00000
      9       6.1121     -0.00000
     10       8.4856     -0.00000
     11       8.6374      0.00000
     12       9.7282      0.00000
     13      10.2362      0.00000
     14      11.3522      0.00000
     15      12.5341      0.00000
     16      12.9676      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0630      1.00000
      2      -9.1952      1.00000
      3      -7.8051      1.00000
      4      -5.8939      1.00000
      5      -3.4601      1.00000
      6      -0.7465      1.00000
      7       2.4720      1.00001
      8       5.3729     -0.00000
      9       6.1121     -0.00000
     10       8.4856     -0.00000
     11       8.6374      0.00000
     12       9.7283      0.00000
     13      10.2369      0.00000
     14      11.3520      0.00000
     15      12.5154      0.00000
     16      12.7868      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0630      1.00000
      2      -9.1952      1.00000
      3      -7.8051      1.00000
      4      -5.8939      1.00000
      5      -3.4601      1.00000
      6      -0.7465      1.00000
      7       2.4720      1.00001
      8       5.3729     -0.00000
      9       6.1121     -0.00000
     10       8.4856     -0.00000
     11       8.6374      0.00000
     12       9.7282      0.00000
     13      10.2359      0.00000
     14      11.3516      0.00000
     15      12.5241      0.00000
     16      12.8701      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.1489      1.00000
      3      -6.7533      1.00000
      4      -4.8347      1.00000
      5      -2.3884      1.00000
      6       0.2909      1.00000
      7       3.4280     -0.03271
      8       5.6461     -0.00000
      9       6.5549     -0.00000
     10       6.8360     -0.00000
     11       7.0586     -0.00000
     12       8.0397     -0.00000
     13       9.4147      0.00000
     14       9.5965      0.00000
     15       9.8144      0.00000
     16      11.6109      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.1489      1.00000
      3      -6.7533      1.00000
      4      -4.8347      1.00000
      5      -2.3884      1.00000
      6       0.2909      1.00000
      7       3.4280     -0.03271
      8       5.6461     -0.00000
      9       6.5549     -0.00000
     10       6.8360     -0.00000
     11       7.0586     -0.00000
     12       8.0397     -0.00000
     13       9.4152      0.00000
     14       9.5970      0.00000
     15       9.8141      0.00000
     16      11.6610      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.1489      1.00000
      3      -6.7533      1.00000
      4      -4.8347      1.00000
      5      -2.3884      1.00000
      6       0.2909      1.00000
      7       3.4280     -0.03271
      8       5.6461     -0.00000
      9       6.5549     -0.00000
     10       6.8360     -0.00000
     11       7.0586     -0.00000
     12       8.0397     -0.00000
     13       9.4149      0.00000
     14       9.5969      0.00000
     15       9.8140      0.00000
     16      11.6247      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5570      1.00000
      2      -6.6811      1.00000
      3      -5.2787      1.00000
      4      -3.3559      1.00000
      5      -0.9233      1.00000
      6       1.5766      1.00000
      7       2.5432      1.00007
      8       3.4854     -0.02044
      9       4.7743     -0.00000
     10       5.1421     -0.00000
     11       6.5421     -0.00000
     12       7.6798     -0.00000
     13       8.2201     -0.00000
     14       8.7220      0.00000
     15      10.5263      0.00000
     16      10.8493      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5570      1.00000
      2      -6.6811      1.00000
      3      -5.2787      1.00000
      4      -3.3559      1.00000
      5      -0.9233      1.00000
      6       1.5765      1.00000
      7       2.5432      1.00007
      8       3.4854     -0.02044
      9       4.7743     -0.00000
     10       5.1421     -0.00000
     11       6.5421     -0.00000
     12       7.6798     -0.00000
     13       8.2200     -0.00000
     14       8.7210      0.00000
     15      10.5349      0.00000
     16      10.8534      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5570      1.00000
      2      -6.6811      1.00000
      3      -5.2787      1.00000
      4      -3.3559      1.00000
      5      -0.9233      1.00000
      6       1.5766      1.00000
      7       2.5432      1.00007
      8       3.4854     -0.02044
      9       4.7743     -0.00000
     10       5.1421     -0.00000
     11       6.5421     -0.00000
     12       7.6798     -0.00000
     13       8.2200     -0.00000
     14       8.7207      0.00000
     15      10.5393      0.00000
     16      10.8581      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6706      1.00000
      2      -4.7893      1.00000
      3      -3.3862      1.00000
      4      -1.5057      1.00000
      5      -0.6707      1.00000
      6       0.0800      1.00000
      7       1.1080      1.00000
      8       1.9991      1.00000
      9       3.6615     -0.00096
     10       3.7521     -0.00010
     11       5.9453     -0.00000
     12       6.7192     -0.00000
     13       8.2397     -0.00000
     14       9.2215      0.00000
     15       9.7613      0.00000
     16      10.5764      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6706      1.00000
      2      -4.7893      1.00000
      3      -3.3862      1.00000
      4      -1.5057      1.00000
      5      -0.6707      1.00000
      6       0.0800      1.00000
      7       1.1080      1.00000
      8       1.9991      1.00000
      9       3.6615     -0.00096
     10       3.7521     -0.00010
     11       5.9453     -0.00000
     12       6.7192     -0.00000
     13       8.2400     -0.00000
     14       9.2237      0.00000
     15       9.7608      0.00000
     16      10.6135      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6706      1.00000
      2      -4.7893      1.00000
      3      -3.3862      1.00000
      4      -1.5057      1.00000
      5      -0.6707      1.00000
      6       0.0800      1.00000
      7       1.1081      1.00000
      8       1.9991      1.00000
      9       3.6615     -0.00096
     10       3.7521     -0.00010
     11       5.9453     -0.00000
     12       6.7192     -0.00000
     13       8.2397     -0.00000
     14       9.2210      0.00000
     15       9.7623      0.00000
     16      10.6157      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3492      1.00000
      3      -2.4996      1.00000
      4      -2.4726      1.00000
      5      -1.3273      1.00000
      6      -0.9254      1.00000
      7       0.6566      1.00000
      8       1.4007      1.00000
      9       3.3985     -0.03546
     10       3.5336     -0.01090
     11       5.6817     -0.00000
     12       6.0208     -0.00000
     13       8.4177     -0.00000
     14       8.8776      0.00000
     15      10.6546      0.00000
     16      11.3037      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3492      1.00000
      3      -2.4997      1.00000
      4      -2.4726      1.00000
      5      -1.3274      1.00000
      6      -0.9254      1.00000
      7       0.6566      1.00000
      8       1.4007      1.00000
      9       3.3985     -0.03546
     10       3.5336     -0.01090
     11       5.6818     -0.00000
     12       6.0208     -0.00000
     13       8.4178     -0.00000
     14       8.8736      0.00000
     15      10.4952      0.00000
     16      11.1488      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3492      1.00000
      3      -2.4996      1.00000
      4      -2.4726      1.00000
      5      -1.3274      1.00000
      6      -0.9254      1.00000
      7       0.6566      1.00000
      8       1.4007      1.00000
      9       3.3985     -0.03546
     10       3.5336     -0.01089
     11       5.6817     -0.00000
     12       6.0208     -0.00000
     13       8.4179     -0.00000
     14       8.8755      0.00000
     15      10.5792      0.00000
     16      11.5367      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.4043      1.00000
      3      -8.0153      1.00000
      4      -6.1058      1.00000
      5      -3.6755      1.00000
      6      -0.9560      1.00000
      7       2.2662      1.00000
      8       5.2010     -0.00000
      9       5.9409     -0.00000
     10       8.4266     -0.00000
     11       8.4759     -0.00000
     12      11.4332      0.00000
     13      11.4615      0.00000
     14      11.8767      0.00000
     15      12.0116      0.00000
     16      12.6992      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.4043      1.00000
      3      -8.0153      1.00000
      4      -6.1058      1.00000
      5      -3.6755      1.00000
      6      -0.9560      1.00000
      7       2.2662      1.00000
      8       5.2010     -0.00000
      9       5.9409     -0.00000
     10       8.4266     -0.00000
     11       8.4759     -0.00000
     12      11.4336      0.00000
     13      11.4612      0.00000
     14      11.8851      0.00000
     15      12.0169      0.00000
     16      12.6695      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.4043      1.00000
      3      -8.0153      1.00000
      4      -6.1058      1.00000
      5      -3.6755      1.00000
      6      -0.9560      1.00000
      7       2.2662      1.00000
      8       5.2010     -0.00000
      9       5.9409     -0.00000
     10       8.4266     -0.00000
     11       8.4759     -0.00000
     12      11.4338      0.00000
     13      11.4454      0.00000
     14      11.8636      0.00000
     15      12.0928      0.00000
     16      12.7752      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8158      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81790
      8       5.8481     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4301      0.00000
     14       9.8114      0.00000
     15      10.1802      0.00000
     16      10.6861      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8158      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81790
      8       5.8481     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0103      0.00000
     13       9.4305      0.00000
     14       9.8136      0.00000
     15      10.2487      0.00000
     16      10.7125      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8158      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81790
      8       5.8481     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0103      0.00000
     13       9.4309      0.00000
     14       9.8152      0.00000
     15      10.1810      0.00000
     16      10.6910      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8158      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81790
      8       5.8481     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0103      0.00000
     13       9.4314      0.00000
     14       9.8126      0.00000
     15      10.1811      0.00000
     16      10.6925      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8158      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81789
      8       5.8481     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4312      0.00000
     14       9.8095      0.00000
     15      10.1810      0.00000
     16      10.6901      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4373      1.00000
      2      -8.5676      1.00000
      3      -7.1742      1.00000
      4      -5.2583      1.00000
      5      -2.8158      1.00000
      6      -0.1209      1.00000
      7       3.0711      0.81790
      8       5.8481     -0.00000
      9       6.6093     -0.00000
     10       7.8577     -0.00000
     11       8.5482     -0.00000
     12       9.0102      0.00000
     13       9.4301      0.00000
     14       9.8097      0.00000
     15      10.1805      0.00000
     16      10.6853      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8150     -0.00002
      8       4.6752     -0.00000
      9       5.3684     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7057     -0.00000
     13       8.1927     -0.00000
     14       8.9961      0.00000
     15       9.6178      0.00000
     16      10.2001      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8150     -0.00002
      8       4.6752     -0.00000
      9       5.3684     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7050     -0.00000
     13       8.1927     -0.00000
     14       9.0058      0.00000
     15       9.6927      0.00000
     16      10.2639      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6752     -0.00000
      9       5.3684     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7049     -0.00000
     13       8.1927     -0.00000
     14       9.0219      0.00000
     15       9.5762      0.00000
     16      10.2590      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8150     -0.00002
      8       4.6752     -0.00000
      9       5.3684     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7049     -0.00000
     13       8.1927     -0.00000
     14       9.0152      0.00000
     15       9.6729      0.00000
     16      10.2663      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8151     -0.00002
      8       4.6752     -0.00000
      9       5.3684     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7049     -0.00000
     13       8.1927     -0.00000
     14       8.9117      0.00000
     15       9.6753      0.00000
     16      10.3072      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1845      1.00000
      2      -7.3108      1.00000
      3      -5.9110      1.00000
      4      -3.9884      1.00000
      5      -1.5412      1.00000
      6       1.0962      1.00000
      7       3.8150     -0.00002
      8       4.6752     -0.00000
      9       5.3684     -0.00000
     10       6.4884     -0.00000
     11       7.1110     -0.00000
     12       7.7065     -0.00000
     13       8.1928     -0.00000
     14       8.8975      0.00000
     15       9.5769      0.00000
     16      10.2218      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9432      1.00000
      8       2.9796      1.00535
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9157     -0.00000
     12       7.3339     -0.00000
     13       7.9828     -0.00000
     14       8.6971      0.00000
     15       9.1103      0.00000
     16       9.3486      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9432      1.00000
      8       2.9796      1.00533
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9157     -0.00000
     12       7.3339     -0.00000
     13       7.9827     -0.00000
     14       8.7054      0.00000
     15       9.1016      0.00000
     16       9.1330      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00536
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9157     -0.00000
     12       7.3339     -0.00000
     13       7.9921     -0.00000
     14       8.6872      0.00000
     15       9.1112      0.00000
     16       9.2200      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9432      1.00000
      8       2.9796      1.00535
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9157     -0.00000
     12       7.3339     -0.00000
     13       7.9816     -0.00000
     14       8.6735      0.00000
     15       9.1083      0.00000
     16       9.1489      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9433      1.00000
      8       2.9796      1.00536
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9157     -0.00000
     12       7.3339     -0.00000
     13       7.9864     -0.00000
     14       8.6739      0.00000
     15       9.0938      0.00000
     16       9.1215      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5102      1.00000
      2      -5.6309      1.00000
      3      -4.2257      1.00000
      4      -2.3099      1.00000
      5       0.0248      1.00000
      6       0.9927      1.00000
      7       1.9432      1.00000
      8       2.9796      1.00533
      9       3.5010     -0.01699
     10       5.2108     -0.00000
     11       5.9157     -0.00000
     12       7.3339     -0.00000
     13       7.9783     -0.00000
     14       8.6853      0.00000
     15       9.1000      0.00000
     16       9.1258      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1436      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3593      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4907     -0.00000
     14       8.0191     -0.00000
     15       8.8619      0.00000
     16       9.7504      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1436      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3593      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4911     -0.00000
     14       8.0151     -0.00000
     15       8.8115      0.00000
     16       9.8438      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1436      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3593      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4910     -0.00000
     14       8.0141     -0.00000
     15       8.8089      0.00000
     16       9.8649      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1436      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3593      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4902     -0.00000
     14       8.0141     -0.00000
     15       8.8082      0.00000
     16       9.7346      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1436      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3593      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4926     -0.00000
     14       8.0202     -0.00000
     15       8.9726      0.00000
     16       9.8106      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.5300      1.00000
      3      -2.1436      1.00000
      4      -1.8995      1.00000
      5      -1.0821      1.00000
      6      -0.3593      1.00000
      7       0.6293      1.00000
      8       2.3028      1.00000
      9       2.6792      1.00201
     10       4.7340     -0.00000
     11       4.9198     -0.00000
     12       7.0285     -0.00000
     13       7.4909     -0.00000
     14       8.0182     -0.00000
     15       8.8110      0.00000
     16       9.8425      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.5206      1.00000
      3      -6.1218      1.00000
      4      -4.1997      1.00000
      5      -1.7508      1.00000
      6       0.9049      1.00000
      7       3.9672     -0.00000
      8       6.0183     -0.00000
      9       6.4871     -0.00000
     10       7.1994     -0.00000
     11       7.3358     -0.00000
     12       7.4433     -0.00000
     13       7.6060     -0.00000
     14       8.3871     -0.00000
     15       8.7306      0.00000
     16      10.0877      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.5206      1.00000
      3      -6.1218      1.00000
      4      -4.1997      1.00000
      5      -1.7508      1.00000
      6       0.9049      1.00000
      7       3.9672     -0.00000
      8       6.0183     -0.00000
      9       6.4871     -0.00000
     10       7.1994     -0.00000
     11       7.3358     -0.00000
     12       7.4433     -0.00000
     13       7.6061     -0.00000
     14       8.3876     -0.00000
     15       8.7693      0.00000
     16      10.1011      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.5206      1.00000
      3      -6.1218      1.00000
      4      -4.1997      1.00000
      5      -1.7508      1.00000
      6       0.9049      1.00000
      7       3.9672     -0.00000
      8       6.0183     -0.00000
      9       6.4871     -0.00000
     10       7.1994     -0.00000
     11       7.3359     -0.00000
     12       7.4433     -0.00000
     13       7.6076     -0.00000
     14       8.3618     -0.00000
     15       8.8502      0.00000
     16      10.0989      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59523
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0155     -0.00000
     14       7.7585     -0.00000
     15       8.4489     -0.00000
     16       8.7648      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59529
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0153     -0.00000
     14       7.7586     -0.00000
     15       8.4606     -0.00000
     16       8.7671      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59522
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0167     -0.00000
     14       7.8915     -0.00000
     15       8.5523      0.00000
     16       8.7075      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59525
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0161     -0.00000
     14       7.7604     -0.00000
     15       8.4428     -0.00000
     16       8.7688      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59517
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0153     -0.00000
     14       7.7593     -0.00000
     15       8.4529     -0.00000
     16       8.7647      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9299      1.00000
      2      -6.0519      1.00000
      3      -4.6470      1.00000
      4      -2.7243      1.00000
      5      -0.3034      1.00000
      6       2.1610      1.00000
      7       3.1316      0.59530
      8       4.0605     -0.00000
      9       5.0861     -0.00000
     10       5.3318     -0.00000
     11       5.8946     -0.00000
     12       6.4576     -0.00000
     13       7.0152     -0.00000
     14       7.7585     -0.00000
     15       8.4438     -0.00000
     16       8.7726      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8883      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2844     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6192     -0.00000
     14       7.3851     -0.00000
     15       7.5398     -0.00000
     16       8.8914      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8883      1.00000
      5      -0.0540      1.00000
      6       0.6819      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2844     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6198     -0.00000
     14       7.3847     -0.00000
     15       7.5422     -0.00000
     16       9.0958      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8883      1.00000
      5      -0.0540      1.00000
      6       0.6819      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2844     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6190     -0.00000
     14       7.3841     -0.00000
     15       7.5348     -0.00000
     16       8.8920      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8883      1.00000
      5      -0.0540      1.00000
      6       0.6819      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2844     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6189     -0.00000
     14       7.3847     -0.00000
     15       7.5374     -0.00000
     16       9.0053      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8883      1.00000
      5      -0.0540      1.00000
      6       0.6820      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2844     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6187     -0.00000
     14       7.3849     -0.00000
     15       7.5386     -0.00000
     16       8.9294      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0426      1.00000
      2      -4.1606      1.00000
      3      -2.7582      1.00000
      4      -0.8883      1.00000
      5      -0.0540      1.00000
      6       0.6819      1.00000
      7       1.6985      1.00000
      8       2.5702      1.00015
      9       4.0705     -0.00000
     10       4.2844     -0.00000
     11       4.8647     -0.00000
     12       5.6981     -0.00000
     13       6.6189     -0.00000
     14       7.3863     -0.00000
     15       7.5427     -0.00000
     16       8.8859      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7470      1.00000
      2      -2.7236      1.00000
      3      -1.8663      1.00000
      4      -1.8608      1.00000
      5      -0.7137      1.00000
      6      -0.3122      1.00000
      7       1.2567      1.00000
      8       1.9905      1.00000
      9       3.7760     -0.00005
     10       3.9142     -0.00000
     11       4.7082     -0.00000
     12       5.7306     -0.00000
     13       6.3978     -0.00000
     14       6.7498     -0.00000
     15       7.1061     -0.00000
     16       8.8040      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7470      1.00000
      2      -2.7236      1.00000
      3      -1.8663      1.00000
      4      -1.8608      1.00000
      5      -0.7137      1.00000
      6      -0.3122      1.00000
      7       1.2567      1.00000
      8       1.9905      1.00000
      9       3.7760     -0.00005
     10       3.9142     -0.00000
     11       4.7082     -0.00000
     12       5.7306     -0.00000
     13       6.3979     -0.00000
     14       6.7498     -0.00000
     15       7.1060     -0.00000
     16       8.7648      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7470      1.00000
      2      -2.7236      1.00000
      3      -1.8663      1.00000
      4      -1.8608      1.00000
      5      -0.7137      1.00000
      6      -0.3122      1.00000
      7       1.2567      1.00000
      8       1.9905      1.00000
      9       3.7760     -0.00005
     10       3.9142     -0.00000
     11       4.7082     -0.00000
     12       5.7306     -0.00000
     13       6.3978     -0.00000
     14       6.7496     -0.00000
     15       7.1063     -0.00000
     16       8.8346      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2533      1.00000
      2      -4.3714      1.00000
      3      -2.9660      1.00000
      4      -1.0682      1.00000
      5       1.1567      1.00000
      6       2.0935      1.00000
      7       2.2512      1.00000
      8       2.9538      1.02518
      9       3.3987     -0.03546
     10       4.2028     -0.00000
     11       4.4796     -0.00000
     12       4.8357     -0.00000
     13       6.2259     -0.00000
     14       6.8668     -0.00000
     15       7.2695     -0.00000
     16       8.7311      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2533      1.00000
      2      -4.3714      1.00000
      3      -2.9660      1.00000
      4      -1.0682      1.00000
      5       1.1567      1.00000
      6       2.0935      1.00000
      7       2.2512      1.00000
      8       2.9539      1.02516
      9       3.3987     -0.03546
     10       4.2028     -0.00000
     11       4.4796     -0.00000
     12       4.8357     -0.00000
     13       6.2262     -0.00000
     14       6.8682     -0.00000
     15       7.2701     -0.00000
     16       8.7068      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2533      1.00000
      2      -4.3714      1.00000
      3      -2.9660      1.00000
      4      -1.0682      1.00000
      5       1.1567      1.00000
      6       2.0936      1.00000
      7       2.2512      1.00000
      8       2.9539      1.02517
      9       3.3987     -0.03546
     10       4.2028     -0.00000
     11       4.4796     -0.00000
     12       4.8357     -0.00000
     13       6.2257     -0.00000
     14       6.8669     -0.00000
     15       7.2694     -0.00000
     16       8.7248      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5158      1.00003
     10       3.1793      0.39013
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0519     -0.00000
     14       6.1663     -0.00000
     15       6.3847     -0.00000
     16       8.2734     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8191      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1793      0.38973
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0519     -0.00000
     14       6.1664     -0.00000
     15       6.3845     -0.00000
     16       8.3328     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5158      1.00003
     10       3.1793      0.39007
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1663     -0.00000
     15       6.3845     -0.00000
     16       8.3285     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5158      1.00003
     10       3.1793      0.39011
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1663     -0.00000
     15       6.3847     -0.00000
     16       8.5195     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8192      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1793      0.38990
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1664     -0.00000
     15       6.3848     -0.00000
     16       8.3052     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1549      1.00000
      2      -2.2778      1.00000
      3      -0.9063      1.00000
      4      -0.6549      1.00000
      5       0.1416      1.00000
      6       0.8191      1.00000
      7       1.7482      1.00000
      8       1.8214      1.00000
      9       2.5159      1.00003
     10       3.1793      0.38988
     11       4.1413     -0.00000
     12       4.6497     -0.00000
     13       6.0517     -0.00000
     14       6.1664     -0.00000
     15       6.3847     -0.00000
     16       8.3751     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8786      1.00000
      2      -0.8733      1.00000
      3      -0.8385      1.00000
      4      -0.0531      1.00000
      5       0.0028      1.00000
      6       0.0044      1.00000
      7       1.0554      1.00000
      8       1.0654      1.00000
      9       1.7761      1.00000
     10       2.6962      1.00289
     11       4.1069     -0.00000
     12       4.1235     -0.00000
     13       5.9984     -0.00000
     14       6.0045     -0.00000
     15       6.0621     -0.00000
     16       8.0309     -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   1.881   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  13.768   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   1.881   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
115.814 -61.858   0.000  -0.077  -0.000  -0.000  -0.024   0.000
-61.858  33.040  -0.000   0.031   0.000   0.000   0.014  -0.000
  0.000  -0.000   2.073  -0.000  -0.000  -0.322   0.000   0.000
 -0.077   0.031  -0.000   1.743  -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
 -0.024   0.014   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
 -0.002   0.001  -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
 -0.000   0.000  -0.000   0.000   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      0.0019: real time      0.0019
    FORHF :  cpu time    422.8975: real time    425.9495
    FORNL :  cpu time      0.5013: real time      0.5065
    FORCOR:  cpu time      1.9696: real time      1.9802
    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
 -----------------------------------------------------------------------------------------------
   0.216E-04 0.132E-04 0.183E+03   0.439E-13 0.278E-13 -.182E+03   -.276E-04 -.145E-04 -.125E+01
   0.104E-04 0.205E-04 0.913E+02   -.154E-14 0.385E-15 -.913E+02   -.964E-05 -.188E-04 0.200E+00
   -.160E-04 -.784E-05 0.422E-02   -.143E-12 -.821E-13 0.122E-01   0.170E-04 0.226E-05 -.321E-01
   0.239E-04 -.160E-04 -.917E+02   0.142E-12 0.841E-13 0.917E+02   -.208E-04 0.194E-04 -.920E-01
   -.617E-05 -.792E-05 -.182E+03   -.510E-13 -.271E-13 0.181E+03   0.859E-05 0.111E-04 0.118E+01
 -----------------------------------------------------------------------------------------------
   0.362E-04 0.224E-05 -.833E-03   -.971E-14 0.313E-14 0.568E-13   -.324E-04 -.589E-06 0.879E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000006     -0.000001     -0.138327
      0.00000      0.00000      2.33311         0.000000      0.000002      0.147689
      1.42873      0.82488      4.66620         0.000001     -0.000006     -0.016419
      2.85746      1.64976      6.99227         0.000003      0.000003     -0.087047
      0.00000      0.00000      9.33910         0.000002      0.000002      0.094103
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000001      0.008347


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90014592 eV

  energy  without entropy=      -13.89540812  energy(sigma->0) =      -13.89856665
 
 d Force = 0.1598753E-02[ 0.124E-02, 0.196E-02]  d Energy = 0.1678545E-02-0.798E-04
 d Force = 0.5675343E+00[ 0.565E+00, 0.570E+00]  d Ewald  = 0.5675353E+00-0.102E-05


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


    POTLOK:  cpu time      1.9727: real time      1.9832


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.806E-03   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.5830
 eigenvalue spectrum of G is  2.5830


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


    WAVPRE:  cpu time      0.0061: real time      0.0661
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9703: real time      1.9810
    EDDIAG:  cpu time    586.2047: real time    590.9798
    CHARGE:  cpu time      0.2641: real time      0.2660
 writing wavefunctions
     LOOP+:  cpu time   7499.8350: real time   7562.9295


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


    POTLOK:  cpu time      0.7246: real time      0.7300
    SETDIJ:  cpu time      1.2439: real time      1.2495
    TRIAL :  cpu time    586.5714: real time    591.4561
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    588.8172: real time    593.7196

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6114658E-02  (-0.9887814E-02)
 number of electron      15.0000000 magnetization      -0.0000433
 augmentation part       -0.0008575 magnetization      -0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -703.80771457
  -exchange      EXHF   =        33.28939684
  -V(xc)+E(xc)   XCENC  =       -83.53997253
  PAW double counting   =    100828.15553336  -100727.19768765
  entropy T*S    EENTRO =        -0.00529024
  eigenvalues    EBANDS =       -34.29427583
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89402236 eV

  energy without entropy =      -13.88873213  energy(sigma->0) =      -13.89225895
  exchange ACFDT corr.  =        -0.00534654  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7245: real time      0.7302
    SETDIJ:  cpu time      1.2459: real time      1.2515
    TRIAL :  cpu time    587.2956: real time    592.1957
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2646: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    589.5352: real time    594.4487

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2311301E-02  (-0.7502969E-02)
 number of electron      15.0000000 magnetization      -0.0000448
 augmentation part       -0.0008497 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.82056427
  -exchange      EXHF   =        33.28428897
  -V(xc)+E(xc)   XCENC  =       -83.54184708
  PAW double counting   =    100809.50069730  -100708.54266780
  entropy T*S    EENTRO =        -0.00528766
  eigenvalues    EBANDS =       -35.27695013
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89633366 eV

  energy without entropy =      -13.89104600  energy(sigma->0) =      -13.89457111
  exchange ACFDT corr.  =        -0.00618727  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7246: real time      0.7302
    SETDIJ:  cpu time      1.2452: real time      1.2504
    TRIAL :  cpu time    588.5814: real time    593.4621
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    590.8216: real time    595.7153

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3569290E-02  (-0.1061164E-02)
 number of electron      15.0000000 magnetization      -0.0000460
 augmentation part       -0.0008503 magnetization       0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.36013052
  -exchange      EXHF   =        33.28064926
  -V(xc)+E(xc)   XCENC  =       -83.54320736
  PAW double counting   =    100801.21088611  -100700.25277210
  entropy T*S    EENTRO =        -0.00532055
  eigenvalues    EBANDS =       -35.73604027
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89990295 eV

  energy without entropy =      -13.89458241  energy(sigma->0) =      -13.89812944
  exchange ACFDT corr.  =        -0.00529175  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7257: real time      0.7311
    SETDIJ:  cpu time      1.2418: real time      1.2469
    TRIAL :  cpu time    585.7879: real time    590.6447
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    588.0246: real time    592.8940

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6295609E-03  (-0.1430936E-02)
 number of electron      15.0000000 magnetization      -0.0000463
 augmentation part       -0.0008548 magnetization       0.0000012

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.51773502
  -exchange      EXHF   =        33.27999711
  -V(xc)+E(xc)   XCENC  =       -83.54350608
  PAW double counting   =    100802.40765177  -100701.44963913
  entropy T*S    EENTRO =        -0.00534182
  eigenvalues    EBANDS =       -35.57798020
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90053252 eV

  energy without entropy =      -13.89519070  energy(sigma->0) =      -13.89875191
  exchange ACFDT corr.  =        -0.00530828  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7252: real time      0.7307
    SETDIJ:  cpu time      1.2447: real time      1.2498
    TRIAL :  cpu time    586.0041: real time    590.8739
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    588.2441: real time    593.1266

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2938580E-03  (-0.1003549E-02)
 number of electron      15.0000000 magnetization      -0.0000458
 augmentation part       -0.0008577 magnetization       0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.68630093
  -exchange      EXHF   =        33.28069008
  -V(xc)+E(xc)   XCENC  =       -83.54332144
  PAW double counting   =    100807.62705313  -100706.66917959
  entropy T*S    EENTRO =        -0.00532995
  eigenvalues    EBANDS =       -35.41042540
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90082637 eV

  energy without entropy =      -13.89549643  energy(sigma->0) =      -13.89904973
  exchange ACFDT corr.  =        -0.00532764  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7252: real time      0.7307
    SETDIJ:  cpu time      1.2507: real time      1.2558
    TRIAL :  cpu time    585.1494: real time    590.0140
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    587.3951: real time    592.2724

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5229508E-03  (-0.1672356E-03)
 number of electron      15.0000000 magnetization      -0.0000448
 augmentation part       -0.0008568 magnetization       0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.67022349
  -exchange      EXHF   =        33.28151692
  -V(xc)+E(xc)   XCENC  =       -83.54307640
  PAW double counting   =    100817.26959966  -100716.31181203
  entropy T*S    EENTRO =        -0.00532091
  eigenvalues    EBANDS =       -35.42802362
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90134932 eV

  energy without entropy =      -13.89602841  energy(sigma->0) =      -13.89957569
  exchange ACFDT corr.  =        -0.00532835  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7249: real time      0.7305
    SETDIJ:  cpu time      1.2454: real time      1.2506
    TRIAL :  cpu time    586.6772: real time    591.5659
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2642: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    588.9163: real time    593.8178

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9853012E-04  (-0.2443549E-03)
 number of electron      15.0000000 magnetization      -0.0000435
 augmentation part       -0.0008528 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.63827101
  -exchange      EXHF   =        33.28222465
  -V(xc)+E(xc)   XCENC  =       -83.54284291
  PAW double counting   =    100830.79221807  -100729.83454157
  entropy T*S    EENTRO =        -0.00532694
  eigenvalues    EBANDS =       -35.46091376
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90144785 eV

  energy without entropy =      -13.89612092  energy(sigma->0) =      -13.89967221
  exchange ACFDT corr.  =        -0.00533074  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7240: real time      0.7296
    SETDIJ:  cpu time      1.2420: real time      1.2472
    TRIAL :  cpu time    585.0780: real time    589.9371
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    587.3143: real time    592.1861

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7047341E-04  (-0.1372726E-03)
 number of electron      15.0000000 magnetization      -0.0000422
 augmentation part       -0.0008466 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.70301465
  -exchange      EXHF   =        33.28283546
  -V(xc)+E(xc)   XCENC  =       -83.54262346
  PAW double counting   =    100846.66609104  -100745.70842325
  entropy T*S    EENTRO =        -0.00533361
  eigenvalues    EBANDS =       -35.39705612
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90151833 eV

  energy without entropy =      -13.89618471  energy(sigma->0) =      -13.89974046
  exchange ACFDT corr.  =        -0.00534114  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7245: real time      0.7302
    SETDIJ:  cpu time      1.2441: real time      1.2494
    TRIAL :  cpu time    585.2610: real time    590.1632
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2643: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    587.4985: real time    592.4137

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7679753E-04  (-0.3029071E-04)
 number of electron      15.0000000 magnetization      -0.0000409
 augmentation part       -0.0008389 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.77802196
  -exchange      EXHF   =        33.28312332
  -V(xc)+E(xc)   XCENC  =       -83.54251261
  PAW double counting   =    100862.99496226  -100762.03723123
  entropy T*S    EENTRO =        -0.00533718
  eigenvalues    EBANDS =       -35.32258088
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90159513 eV

  energy without entropy =      -13.89625795  energy(sigma->0) =      -13.89981607
  exchange ACFDT corr.  =        -0.00534894  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7244: real time      0.7303
    SETDIJ:  cpu time      1.2431: real time      1.2482
    TRIAL :  cpu time    586.8484: real time    591.7236
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    589.0865: real time    593.9748

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2003608E-04  (-0.4448761E-04)
 number of electron      15.0000000 magnetization      -0.0000397
 augmentation part       -0.0008313 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.76802188
  -exchange      EXHF   =        33.28296856
  -V(xc)+E(xc)   XCENC  =       -83.54255955
  PAW double counting   =    100877.93390555  -100776.97616881
  entropy T*S    EENTRO =        -0.00533895
  eigenvalues    EBANDS =       -35.33240145
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90161516 eV

  energy without entropy =      -13.89627621  energy(sigma->0) =      -13.89983551
  exchange ACFDT corr.  =        -0.00535215  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7246: real time      0.7300
    SETDIJ:  cpu time      1.2439: real time      1.2491
    TRIAL :  cpu time    584.5281: real time    589.4068
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    586.7669: real time    591.6583

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1679195E-04  (-0.1977816E-04)
 number of electron      15.0000000 magnetization      -0.0000385
 augmentation part       -0.0008251 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.71545158
  -exchange      EXHF   =        33.28266920
  -V(xc)+E(xc)   XCENC  =       -83.54266150
  PAW double counting   =    100890.62022691  -100789.66247956
  entropy T*S    EENTRO =        -0.00534030
  eigenvalues    EBANDS =       -35.38459606
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90163195 eV

  energy without entropy =      -13.89629166  energy(sigma->0) =      -13.89985185
  exchange ACFDT corr.  =        -0.00535322  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7263: real time      0.7318
    SETDIJ:  cpu time      1.2450: real time      1.2504
    TRIAL :  cpu time    586.2150: real time    591.0943
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2651: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    588.4559: real time    593.3481

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1199760E-04  (-0.5288932E-05)
 number of electron      15.0000000 magnetization      -0.0000374
 augmentation part       -0.0008201 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.69631209
  -exchange      EXHF   =        33.28254082
  -V(xc)+E(xc)   XCENC  =       -83.54270826
  PAW double counting   =    100901.96958901  -100801.01182469
  entropy T*S    EENTRO =        -0.00534329
  eigenvalues    EBANDS =       -35.40358803
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90164395 eV

  energy without entropy =      -13.89630066  energy(sigma->0) =      -13.89986285
  exchange ACFDT corr.  =        -0.00535431  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7247: real time      0.7302
    SETDIJ:  cpu time      1.2444: real time      1.2498
    TRIAL :  cpu time    585.5454: real time    590.4011
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    584.3089: real time    589.1256
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time   1172.0932: real time   1181.7786

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3216017E-05  (-0.6377043E-05)
 number of electron      15.0000000 magnetization      -0.0000362
 augmentation part       -0.0008163 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.92461534
  -Hartree energ DENC   =      -702.71078932
  -exchange      EXHF   =        33.28264502
  -V(xc)+E(xc)   XCENC  =       -83.54269942
  PAW double counting   =    100911.96856195  -100811.01080565
  entropy T*S    EENTRO =        -0.00534624
  eigenvalues    EBANDS =       -35.38914889
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90164717 eV

  energy without entropy =      -13.89630092  energy(sigma->0) =      -13.89986509
  exchange ACFDT corr.  =        -0.00535704  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 -69.8805       2 -69.7727       3 -69.7804       4 -69.7895       5 -69.9141
 
 
 
 E-fermi :   3.1529     XC(G=0):  -5.1176     alpha+bet : -8.9779

 Fermi energy:         3.1529366726

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8982      1.00000
      2     -10.0092      1.00000
      3      -8.6329      1.00000
      4      -6.7542      1.00000
      5      -4.3263      1.00000
      6      -1.5881      1.00000
      7       1.6320      1.00000
      8       4.6448     -0.00000
      9       5.4163     -0.00000
     10       7.9315     -0.00000
     11       7.9974     -0.00000
     12      11.8949      0.00000
     13      12.1909      0.00000
     14      16.0683      0.00000
     15      16.3131      0.00000
     16      16.6227      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.8002      1.00000
      3      -8.4228      1.00000
      4      -6.5423      1.00000
      5      -4.1103      1.00000
      6      -1.3780      1.00000
      7       1.8456      1.00000
      8       4.8275     -0.00000
      9       5.5907     -0.00000
     10       8.0994     -0.00000
     11       8.1623     -0.00000
     12      12.0222      0.00000
     13      12.2872      0.00000
     14      13.1144      0.00000
     15      13.8915      0.00000
     16      14.4110      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.8002      1.00000
      3      -8.4228      1.00000
      4      -6.5423      1.00000
      5      -4.1103      1.00000
      6      -1.3780      1.00000
      7       1.8456      1.00000
      8       4.8275     -0.00000
      9       5.5907     -0.00000
     10       8.0994     -0.00000
     11       8.1623     -0.00000
     12      12.0222      0.00000
     13      12.2870      0.00000
     14      13.1143      0.00000
     15      13.8385      0.00000
     16      14.5939      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.8002      1.00000
      3      -8.4228      1.00000
      4      -6.5423      1.00000
      5      -4.1103      1.00000
      6      -1.3780      1.00000
      7       1.8456      1.00000
      8       4.8275     -0.00000
      9       5.5907     -0.00000
     10       8.0994     -0.00000
     11       8.1623     -0.00000
     12      12.0221      0.00000
     13      12.2872      0.00000
     14      13.1143      0.00000
     15      13.8441      0.00000
     16      14.4060      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1729      1.00000
      3      -7.7923      1.00000
      4      -5.9068      1.00000
      5      -3.4636      1.00000
      6      -0.7489      1.00000
      7       2.4716      1.00001
      8       5.3584     -0.00000
      9       6.1085     -0.00000
     10       8.4825     -0.00000
     11       8.6328      0.00000
     12       9.7257      0.00000
     13      10.2543      0.00000
     14      11.3635      0.00000
     15      12.5110      0.00000
     16      12.7804      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1729      1.00000
      3      -7.7923      1.00000
      4      -5.9068      1.00000
      5      -3.4636      1.00000
      6      -0.7489      1.00000
      7       2.4716      1.00001
      8       5.3584     -0.00000
      9       6.1085     -0.00000
     10       8.4825     -0.00000
     11       8.6328      0.00000
     12       9.7257      0.00000
     13      10.2543      0.00000
     14      11.3636      0.00000
     15      12.5162      0.00000
     16      12.8295      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1729      1.00000
      3      -7.7923      1.00000
      4      -5.9068      1.00000
      5      -3.4636      1.00000
      6      -0.7489      1.00000
      7       2.4716      1.00001
      8       5.3584     -0.00000
      9       6.1084     -0.00000
     10       8.4825     -0.00000
     11       8.6328      0.00000
     12       9.7257      0.00000
     13      10.2548      0.00000
     14      11.3638      0.00000
     15      12.5157      0.00000
     16      12.9174      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1264      1.00000
      3      -6.7403      1.00000
      4      -4.8477      1.00000
      5      -2.3919      1.00000
      6       0.2885      1.00000
      7       3.4272     -0.03276
      8       5.6436     -0.00000
      9       6.5483     -0.00000
     10       6.8508     -0.00000
     11       7.0546     -0.00000
     12       8.0517     -0.00000
     13       9.4082      0.00000
     14       9.5877      0.00000
     15       9.8094      0.00000
     16      11.5968      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1264      1.00000
      3      -6.7403      1.00000
      4      -4.8477      1.00000
      5      -2.3919      1.00000
      6       0.2885      1.00000
      7       3.4272     -0.03276
      8       5.6436     -0.00000
      9       6.5483     -0.00000
     10       6.8508     -0.00000
     11       7.0546     -0.00000
     12       8.0517     -0.00000
     13       9.4082      0.00000
     14       9.5875      0.00000
     15       9.8094      0.00000
     16      11.6206      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1264      1.00000
      3      -6.7403      1.00000
      4      -4.8477      1.00000
      5      -2.3919      1.00000
      6       0.2885      1.00000
      7       3.4272     -0.03276
      8       5.6436     -0.00000
      9       6.5483     -0.00000
     10       6.8508     -0.00000
     11       7.0546     -0.00000
     12       8.0517     -0.00000
     13       9.4082      0.00000
     14       9.5875      0.00000
     15       9.8096      0.00000
     16      11.7039      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6584      1.00000
      3      -5.2654      1.00000
      4      -3.3689      1.00000
      5      -0.9266      1.00000
      6       1.5754      1.00000
      7       2.5409      1.00007
      8       3.5059     -0.01570
      9       4.7882     -0.00000
     10       5.1416     -0.00000
     11       6.5289     -0.00000
     12       7.6652     -0.00000
     13       8.2169     -0.00000
     14       8.7179      0.00000
     15      10.5248      0.00000
     16      10.8413      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6584      1.00000
      3      -5.2654      1.00000
      4      -3.3689      1.00000
      5      -0.9266      1.00000
      6       1.5754      1.00000
      7       2.5409      1.00007
      8       3.5059     -0.01570
      9       4.7881     -0.00000
     10       5.1416     -0.00000
     11       6.5289     -0.00000
     12       7.6652     -0.00000
     13       8.2170     -0.00000
     14       8.7180      0.00000
     15      10.5276      0.00000
     16      10.8405      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6584      1.00000
      3      -5.2654      1.00000
      4      -3.3689      1.00000
      5      -0.9266      1.00000
      6       1.5754      1.00000
      7       2.5409      1.00007
      8       3.5059     -0.01570
      9       4.7882     -0.00000
     10       5.1416     -0.00000
     11       6.5289     -0.00000
     12       7.6652     -0.00000
     13       8.2169     -0.00000
     14       8.7179      0.00000
     15      10.5242      0.00000
     16      10.8393      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7662      1.00000
      3      -3.3724      1.00000
      4      -1.5172      1.00000
      5      -0.6744      1.00000
      6       0.0995      1.00000
      7       1.1121      1.00000
      8       2.0083      1.00000
      9       3.6517     -0.00118
     10       3.7466     -0.00011
     11       5.9412     -0.00000
     12       6.7181     -0.00000
     13       8.2370     -0.00000
     14       9.2117      0.00000
     15       9.7574      0.00000
     16      10.6624      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7662      1.00000
      3      -3.3724      1.00000
      4      -1.5172      1.00000
      5      -0.6744      1.00000
      6       0.0995      1.00000
      7       1.1121      1.00000
      8       2.0083      1.00000
      9       3.6517     -0.00118
     10       3.7466     -0.00011
     11       5.9412     -0.00000
     12       6.7181     -0.00000
     13       8.2370     -0.00000
     14       9.2076      0.00000
     15       9.7572      0.00000
     16      10.4195      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7662      1.00000
      3      -3.3724      1.00000
      4      -1.5172      1.00000
      5      -0.6744      1.00000
      6       0.0995      1.00000
      7       1.1121      1.00000
      8       2.0083      1.00000
      9       3.6517     -0.00118
     10       3.7466     -0.00011
     11       5.9412     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2087      0.00000
     15       9.7568      0.00000
     16      10.5270      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3743      1.00000
      2      -3.3520      1.00000
      3      -2.4722      1.00000
      4      -2.4539      1.00000
      5      -1.3115      1.00000
      6      -0.9142      1.00000
      7       0.6438      1.00000
      8       1.3878      1.00000
      9       3.3937     -0.03540
     10       3.5319     -0.01102
     11       5.6775     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8693      0.00000
     15      10.3412      0.00000
     16      10.5668      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3743      1.00000
      2      -3.3520      1.00000
      3      -2.4722      1.00000
      4      -2.4539      1.00000
      5      -1.3114      1.00000
      6      -0.9142      1.00000
      7       0.6438      1.00000
      8       1.3878      1.00000
      9       3.3937     -0.03540
     10       3.5319     -0.01102
     11       5.6775     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8693      0.00000
     15      10.3480      0.00000
     16      10.7778      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3743      1.00000
      2      -3.3520      1.00000
      3      -2.4722      1.00000
      4      -2.4539      1.00000
      5      -1.3114      1.00000
      6      -0.9142      1.00000
      7       0.6438      1.00000
      8       1.3878      1.00000
      9       3.3937     -0.03540
     10       3.5319     -0.01102
     11       5.6775     -0.00000
     12       6.0189     -0.00000
     13       8.4166     -0.00000
     14       8.8689      0.00000
     15      10.2604      0.00000
     16      10.5950      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3821      1.00000
      3      -8.0025      1.00000
      4      -6.1187      1.00000
      5      -3.6789      1.00000
      6      -0.9583      1.00000
      7       2.2658      1.00000
      8       5.1861     -0.00000
      9       5.9373     -0.00000
     10       8.4237     -0.00000
     11       8.4701     -0.00000
     12      11.4280      0.00000
     13      11.4522      0.00000
     14      11.8826      0.00000
     15      12.0054      0.00000
     16      12.6855      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3821      1.00000
      3      -8.0025      1.00000
      4      -6.1187      1.00000
      5      -3.6789      1.00000
      6      -0.9583      1.00000
      7       2.2658      1.00000
      8       5.1861     -0.00000
      9       5.9373     -0.00000
     10       8.4237     -0.00000
     11       8.4701     -0.00000
     12      11.4263      0.00000
     13      11.4834      0.00000
     14      11.8884      0.00000
     15      11.9969      0.00000
     16      12.7311      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3821      1.00000
      3      -8.0025      1.00000
      4      -6.1187      1.00000
      5      -3.6789      1.00000
      6      -0.9583      1.00000
      7       2.2658      1.00000
      8       5.1861     -0.00000
      9       5.9373     -0.00000
     10       8.4237     -0.00000
     11       8.4701     -0.00000
     12      11.4273      0.00000
     13      11.4429      0.00000
     14      11.8921      0.00000
     15      12.0124      0.00000
     16      12.6728      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8192      1.00000
      6      -0.1233      1.00000
      7       3.0704      0.81844
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4249      0.00000
     14       9.8224      0.00000
     15      10.1792      0.00000
     16      10.7063      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8192      1.00000
      6      -0.1233      1.00000
      7       3.0704      0.81843
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4250      0.00000
     14       9.8221      0.00000
     15      10.1776      0.00000
     16      10.7056      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8192      1.00000
      6      -0.1233      1.00000
      7       3.0704      0.81844
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4248      0.00000
     14       9.8222      0.00000
     15      10.1791      0.00000
     16      10.7135      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8192      1.00000
      6      -0.1233      1.00000
      7       3.0704      0.81844
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4250      0.00000
     14       9.8225      0.00000
     15      10.1783      0.00000
     16      10.7061      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8192      1.00000
      6      -0.1233      1.00000
      7       3.0704      0.81844
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4253      0.00000
     14       9.8224      0.00000
     15      10.1813      0.00000
     16      10.7067      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8192      1.00000
      6      -0.1233      1.00000
      7       3.0704      0.81844
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4248      0.00000
     14       9.8236      0.00000
     15      10.1785      0.00000
     16      10.7023      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2881      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.9046      0.00000
     15       9.6406      0.00000
     16      10.2368      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2881      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7013     -0.00000
     13       8.1831     -0.00000
     14       8.9416      0.00000
     15       9.7961      0.00000
     16      10.1540      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2881      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.9269      0.00000
     15       9.6896      0.00000
     16      10.2851      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2881      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.9674      0.00000
     15       9.6225      0.00000
     16      10.2812      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2881      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.9181      0.00000
     15       9.6251      0.00000
     16      10.1976      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2881      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7013     -0.00000
     13       8.1831     -0.00000
     14       8.9198      0.00000
     15      10.0341      0.00000
     16      10.2640      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3226      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00120
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9781     -0.00000
     14       8.6760      0.00000
     15       9.1030      0.00000
     16       9.1309      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3226      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00123
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9808     -0.00000
     14       8.6688      0.00000
     15       9.1059      0.00000
     16       9.1311      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3226      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00121
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9796     -0.00000
     14       8.6600      0.00000
     15       9.1030      0.00000
     16       9.1151      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3226      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00120
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9781     -0.00000
     14       8.6624      0.00000
     15       9.1067      0.00000
     16       9.1193      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3226      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00121
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9781     -0.00000
     14       8.6787      0.00000
     15       9.1060      0.00000
     16       9.1645      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3226      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00123
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9790     -0.00000
     14       8.6627      0.00000
     15       9.1083      0.00000
     16       9.1169      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4898     -0.00000
     14       8.0156     -0.00000
     15       8.8273      0.00000
     16       9.7192      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4900     -0.00000
     14       8.0156     -0.00000
     15       8.8265      0.00000
     16       9.7792      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0153     -0.00000
     15       8.8636      0.00000
     16       9.8519      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4898     -0.00000
     14       8.0155     -0.00000
     15       8.8257      0.00000
     16       9.7272      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0168     -0.00000
     15       8.8286      0.00000
     16       9.7156      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4898     -0.00000
     14       8.0156     -0.00000
     15       8.8464      0.00000
     16       9.9306      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4980      1.00000
      3      -6.1086      1.00000
      4      -4.2127      1.00000
      5      -1.7543      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0161     -0.00000
      9       6.4876     -0.00000
     10       7.2139     -0.00000
     11       7.3228     -0.00000
     12       7.4680     -0.00000
     13       7.6040     -0.00000
     14       8.3707     -0.00000
     15       8.8586      0.00000
     16      10.0870      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4980      1.00000
      3      -6.1086      1.00000
      4      -4.2127      1.00000
      5      -1.7543      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0161     -0.00000
      9       6.4876     -0.00000
     10       7.2139     -0.00000
     11       7.3227     -0.00000
     12       7.4680     -0.00000
     13       7.6039     -0.00000
     14       8.3673     -0.00000
     15       8.7357      0.00000
     16      10.0721      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4980      1.00000
      3      -6.1086      1.00000
      4      -4.2127      1.00000
      5      -1.7543      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0161     -0.00000
      9       6.4876     -0.00000
     10       7.2140     -0.00000
     11       7.3228     -0.00000
     12       7.4680     -0.00000
     13       7.6038     -0.00000
     14       8.3623     -0.00000
     15       8.7330      0.00000
     16      10.0588      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7372      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59641
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7583     -0.00000
     15       8.4288     -0.00000
     16       8.7616      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7372      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59639
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7584     -0.00000
     15       8.4313     -0.00000
     16       8.7676      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7372      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59642
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7584     -0.00000
     15       8.4324     -0.00000
     16       8.7634      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7372      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59641
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7593     -0.00000
     15       8.4364     -0.00000
     16       8.7632      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7372      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59641
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0124     -0.00000
     14       7.7591     -0.00000
     15       8.4279     -0.00000
     16       8.7673      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7372      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59639
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7585     -0.00000
     15       8.4314     -0.00000
     16       8.7608      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0577      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5796      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3918     -0.00000
     15       7.5327     -0.00000
     16       8.8558      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0577      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6231     -0.00000
     14       7.3908     -0.00000
     15       7.5331     -0.00000
     16       8.8576      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0577      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5796      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3911     -0.00000
     15       7.5328     -0.00000
     16       8.8579      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0577      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5796      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3912     -0.00000
     15       7.5326     -0.00000
     16       8.8794      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0577      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5796      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3911     -0.00000
     15       7.5336     -0.00000
     16       8.8873      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0577      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3910     -0.00000
     15       7.5340     -0.00000
     16       8.9900      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7484      1.00000
      2      -2.7263      1.00000
      3      -1.8421      1.00000
      4      -1.8386      1.00000
      5      -0.6976      1.00000
      6      -0.3011      1.00000
      7       1.2440      1.00000
      8       1.9788      1.00000
      9       3.7768     -0.00005
     10       3.9078     -0.00000
     11       4.7115     -0.00000
     12       5.7427     -0.00000
     13       6.3951     -0.00000
     14       6.7518     -0.00000
     15       7.1151     -0.00000
     16       8.9157      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7484      1.00000
      2      -2.7263      1.00000
      3      -1.8421      1.00000
      4      -1.8386      1.00000
      5      -0.6976      1.00000
      6      -0.3011      1.00000
      7       1.2440      1.00000
      8       1.9788      1.00000
      9       3.7768     -0.00005
     10       3.9078     -0.00000
     11       4.7115     -0.00000
     12       5.7427     -0.00000
     13       6.3951     -0.00000
     14       6.7518     -0.00000
     15       7.1152     -0.00000
     16       8.8418      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7484      1.00000
      2      -2.7263      1.00000
      3      -1.8421      1.00000
      4      -1.8386      1.00000
      5      -0.6976      1.00000
      6      -0.3011      1.00000
      7       1.2440      1.00000
      8       1.9788      1.00000
      9       3.7768     -0.00005
     10       3.9078     -0.00000
     11       4.7115     -0.00000
     12       5.7427     -0.00000
     13       6.3951     -0.00000
     14       6.7518     -0.00000
     15       7.1151     -0.00000
     16       8.8022      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3482      1.00000
      3      -2.9522      1.00000
      4      -1.0806      1.00000
      5       1.1548      1.00000
      6       2.0924      1.00000
      7       2.2525      1.00000
      8       2.9687      1.01434
      9       3.4213     -0.03359
     10       4.2149     -0.00000
     11       4.4824     -0.00000
     12       4.8443     -0.00000
     13       6.2142     -0.00000
     14       6.8565     -0.00000
     15       7.2640     -0.00000
     16       8.7010      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3482      1.00000
      3      -2.9522      1.00000
      4      -1.0806      1.00000
      5       1.1548      1.00000
      6       2.0924      1.00000
      7       2.2525      1.00000
      8       2.9687      1.01433
      9       3.4213     -0.03359
     10       4.2149     -0.00000
     11       4.4824     -0.00000
     12       4.8443     -0.00000
     13       6.2142     -0.00000
     14       6.8566     -0.00000
     15       7.2640     -0.00000
     16       8.7337      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3482      1.00000
      3      -2.9522      1.00000
      4      -1.0806      1.00000
      5       1.1548      1.00000
      6       2.0924      1.00000
      7       2.2525      1.00000
      8       2.9687      1.01434
      9       3.4213     -0.03359
     10       4.2149     -0.00000
     11       4.4824     -0.00000
     12       4.8443     -0.00000
     13       6.2143     -0.00000
     14       6.8566     -0.00000
     15       7.2643     -0.00000
     16       8.7165      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6563      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7483      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39201
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2348     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6563      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7483      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39221
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.3355     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6563      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7483      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39200
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2879     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6563      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7483      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39200
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2820     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6563      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7483      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39209
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2586     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6563      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7483      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39214
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1568     -0.00000
     15       6.3759     -0.00000
     16       8.4405     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8839      1.00000
      2      -0.8699      1.00000
      3      -0.8428      1.00000
      4      -0.0395      1.00000
      5       0.0282      1.00000
      6       0.0346      1.00000
      7       1.0679      1.00000
      8       1.0849      1.00000
      9       1.7834      1.00000
     10       2.6847      1.00231
     11       4.0850     -0.00000
     12       4.1193     -0.00000
     13       5.9870     -0.00000
     14       6.0049     -0.00000
     15       6.0640     -0.00000
     16       8.0222     -0.00000
 Fermi energy:         3.1529366726

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8982      1.00000
      2     -10.0093      1.00000
      3      -8.6329      1.00000
      4      -6.7542      1.00000
      5      -4.3263      1.00000
      6      -1.5881      1.00000
      7       1.6320      1.00000
      8       4.6448     -0.00000
      9       5.4163     -0.00000
     10       7.9315     -0.00000
     11       7.9974     -0.00000
     12      11.8949      0.00000
     13      12.1908      0.00000
     14      16.0773      0.00000
     15      16.4231      0.00000
     16      16.8248      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.8002      1.00000
      3      -8.4228      1.00000
      4      -6.5423      1.00000
      5      -4.1103      1.00000
      6      -1.3780      1.00000
      7       1.8455      1.00000
      8       4.8275     -0.00000
      9       5.5906     -0.00000
     10       8.0994     -0.00000
     11       8.1623     -0.00000
     12      12.0221      0.00000
     13      12.2871      0.00000
     14      13.1143      0.00000
     15      13.8387      0.00000
     16      14.3478      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.8002      1.00000
      3      -8.4228      1.00000
      4      -6.5423      1.00000
      5      -4.1103      1.00000
      6      -1.3780      1.00000
      7       1.8455      1.00000
      8       4.8275     -0.00000
      9       5.5906     -0.00000
     10       8.0994     -0.00000
     11       8.1623     -0.00000
     12      12.0221      0.00000
     13      12.2869      0.00000
     14      13.1143      0.00000
     15      13.8379      0.00000
     16      14.3288      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.8002      1.00000
      3      -8.4228      1.00000
      4      -6.5423      1.00000
      5      -4.1103      1.00000
      6      -1.3780      1.00000
      7       1.8455      1.00000
      8       4.8275     -0.00000
      9       5.5906     -0.00000
     10       8.0994     -0.00000
     11       8.1623     -0.00000
     12      12.0221      0.00000
     13      12.2869      0.00000
     14      13.1145      0.00000
     15      13.8566      0.00000
     16      14.3815      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1729      1.00000
      3      -7.7923      1.00000
      4      -5.9068      1.00000
      5      -3.4636      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3584     -0.00000
      9       6.1084     -0.00000
     10       8.4825     -0.00000
     11       8.6328      0.00000
     12       9.7257      0.00000
     13      10.2544      0.00000
     14      11.3636      0.00000
     15      12.5249      0.00000
     16      12.9352      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1729      1.00000
      3      -7.7923      1.00000
      4      -5.9068      1.00000
      5      -3.4636      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3584     -0.00000
      9       6.1084     -0.00000
     10       8.4825     -0.00000
     11       8.6328      0.00000
     12       9.7257      0.00000
     13      10.2544      0.00000
     14      11.3636      0.00000
     15      12.5105      0.00000
     16      12.7783      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1729      1.00000
      3      -7.7923      1.00000
      4      -5.9068      1.00000
      5      -3.4636      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3584     -0.00000
      9       6.1084     -0.00000
     10       8.4825     -0.00000
     11       8.6328      0.00000
     12       9.7257      0.00000
     13      10.2542      0.00000
     14      11.3636      0.00000
     15      12.5175      0.00000
     16      12.8555      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1264      1.00000
      3      -6.7403      1.00000
      4      -4.8477      1.00000
      5      -2.3919      1.00000
      6       0.2885      1.00000
      7       3.4272     -0.03277
      8       5.6436     -0.00000
      9       6.5483     -0.00000
     10       6.8508     -0.00000
     11       7.0546     -0.00000
     12       8.0517     -0.00000
     13       9.4081      0.00000
     14       9.5874      0.00000
     15       9.8093      0.00000
     16      11.6005      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1264      1.00000
      3      -6.7403      1.00000
      4      -4.8477      1.00000
      5      -2.3919      1.00000
      6       0.2885      1.00000
      7       3.4272     -0.03277
      8       5.6436     -0.00000
      9       6.5483     -0.00000
     10       6.8508     -0.00000
     11       7.0546     -0.00000
     12       8.0517     -0.00000
     13       9.4082      0.00000
     14       9.5875      0.00000
     15       9.8093      0.00000
     16      11.6386      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1264      1.00000
      3      -6.7403      1.00000
      4      -4.8477      1.00000
      5      -2.3919      1.00000
      6       0.2885      1.00000
      7       3.4272     -0.03277
      8       5.6436     -0.00000
      9       6.5483     -0.00000
     10       6.8508     -0.00000
     11       7.0546     -0.00000
     12       8.0517     -0.00000
     13       9.4082      0.00000
     14       9.5875      0.00000
     15       9.8092      0.00000
     16      11.6140      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6584      1.00000
      3      -5.2654      1.00000
      4      -3.3689      1.00000
      5      -0.9266      1.00000
      6       1.5754      1.00000
      7       2.5409      1.00007
      8       3.5059     -0.01570
      9       4.7881     -0.00000
     10       5.1416     -0.00000
     11       6.5289     -0.00000
     12       7.6652     -0.00000
     13       8.2169     -0.00000
     14       8.7181      0.00000
     15      10.5217      0.00000
     16      10.8411      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6584      1.00000
      3      -5.2654      1.00000
      4      -3.3689      1.00000
      5      -0.9266      1.00000
      6       1.5754      1.00000
      7       2.5409      1.00007
      8       3.5059     -0.01570
      9       4.7881     -0.00000
     10       5.1416     -0.00000
     11       6.5289     -0.00000
     12       7.6652     -0.00000
     13       8.2169     -0.00000
     14       8.7179      0.00000
     15      10.5284      0.00000
     16      10.8443      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6584      1.00000
      3      -5.2654      1.00000
      4      -3.3689      1.00000
      5      -0.9266      1.00000
      6       1.5754      1.00000
      7       2.5409      1.00007
      8       3.5059     -0.01570
      9       4.7881     -0.00000
     10       5.1416     -0.00000
     11       6.5289     -0.00000
     12       7.6652     -0.00000
     13       8.2169     -0.00000
     14       8.7179      0.00000
     15      10.5301      0.00000
     16      10.8498      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7663      1.00000
      3      -3.3724      1.00000
      4      -1.5173      1.00000
      5      -0.6744      1.00000
      6       0.0995      1.00000
      7       1.1121      1.00000
      8       2.0083      1.00000
      9       3.6517     -0.00118
     10       3.7466     -0.00011
     11       5.9412     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2078      0.00000
     15       9.7568      0.00000
     16      10.5488      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7663      1.00000
      3      -3.3724      1.00000
      4      -1.5173      1.00000
      5      -0.6744      1.00000
      6       0.0995      1.00000
      7       1.1121      1.00000
      8       2.0083      1.00000
      9       3.6517     -0.00118
     10       3.7466     -0.00011
     11       5.9412     -0.00000
     12       6.7181     -0.00000
     13       8.2370     -0.00000
     14       9.2085      0.00000
     15       9.7568      0.00000
     16      10.5949      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7662      1.00000
      3      -3.3724      1.00000
      4      -1.5173      1.00000
      5      -0.6744      1.00000
      6       0.0995      1.00000
      7       1.1121      1.00000
      8       2.0083      1.00000
      9       3.6517     -0.00118
     10       3.7466     -0.00011
     11       5.9412     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2078      0.00000
     15       9.7577      0.00000
     16      10.5981      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3743      1.00000
      2      -3.3520      1.00000
      3      -2.4722      1.00000
      4      -2.4539      1.00000
      5      -1.3115      1.00000
      6      -0.9142      1.00000
      7       0.6438      1.00000
      8       1.3878      1.00000
      9       3.3937     -0.03540
     10       3.5318     -0.01102
     11       5.6775     -0.00000
     12       6.0189     -0.00000
     13       8.4166     -0.00000
     14       8.8703      0.00000
     15      10.5114      0.00000
     16      11.2073      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3743      1.00000
      2      -3.3520      1.00000
      3      -2.4722      1.00000
      4      -2.4539      1.00000
      5      -1.3115      1.00000
      6      -0.9142      1.00000
      7       0.6438      1.00000
      8       1.3878      1.00000
      9       3.3937     -0.03540
     10       3.5318     -0.01102
     11       5.6775     -0.00000
     12       6.0189     -0.00000
     13       8.4166     -0.00000
     14       8.8692      0.00000
     15      10.3782      0.00000
     16      10.8777      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3743      1.00000
      2      -3.3520      1.00000
      3      -2.4722      1.00000
      4      -2.4539      1.00000
      5      -1.3115      1.00000
      6      -0.9142      1.00000
      7       0.6438      1.00000
      8       1.3878      1.00000
      9       3.3937     -0.03540
     10       3.5319     -0.01102
     11       5.6775     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8697      0.00000
     15      10.5556      0.00000
     16      11.4559      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3821      1.00000
      3      -8.0025      1.00000
      4      -6.1187      1.00000
      5      -3.6789      1.00000
      6      -0.9583      1.00000
      7       2.2657      1.00000
      8       5.1861     -0.00000
      9       5.9373     -0.00000
     10       8.4237     -0.00000
     11       8.4700     -0.00000
     12      11.4266      0.00000
     13      11.4447      0.00000
     14      11.8816      0.00000
     15      12.0161      0.00000
     16      12.6799      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3821      1.00000
      3      -8.0025      1.00000
      4      -6.1187      1.00000
      5      -3.6789      1.00000
      6      -0.9583      1.00000
      7       2.2657      1.00000
      8       5.1861     -0.00000
      9       5.9373     -0.00000
     10       8.4237     -0.00000
     11       8.4700     -0.00000
     12      11.4272      0.00000
     13      11.4414      0.00000
     14      11.8868      0.00000
     15      12.0191      0.00000
     16      12.6595      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3821      1.00000
      3      -8.0025      1.00000
      4      -6.1187      1.00000
      5      -3.6789      1.00000
      6      -0.9583      1.00000
      7       2.2657      1.00000
      8       5.1861     -0.00000
      9       5.9373     -0.00000
     10       8.4237     -0.00000
     11       8.4701     -0.00000
     12      11.4267      0.00000
     13      11.4406      0.00000
     14      11.8736      0.00000
     15      12.0765      0.00000
     16      12.7622      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8193      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81859
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4248      0.00000
     14       9.8226      0.00000
     15      10.1781      0.00000
     16      10.7020      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8193      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81859
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4249      0.00000
     14       9.8230      0.00000
     15      10.1895      0.00000
     16      10.7119      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8193      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81859
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4250      0.00000
     14       9.8234      0.00000
     15      10.1785      0.00000
     16      10.7026      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8193      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81859
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4252      0.00000
     14       9.8229      0.00000
     15      10.1777      0.00000
     16      10.7030      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8193      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81859
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4251      0.00000
     14       9.8222      0.00000
     15      10.1785      0.00000
     16      10.7027      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5452      1.00000
      3      -7.1613      1.00000
      4      -5.2713      1.00000
      5      -2.8193      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81859
      8       5.8356     -0.00000
      9       6.6055     -0.00000
     10       7.8543     -0.00000
     11       8.5684     -0.00000
     12       9.0062      0.00000
     13       9.4247      0.00000
     14       9.8223      0.00000
     15      10.1779      0.00000
     16      10.7014      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1860      1.00000
      2      -7.2882      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7013     -0.00000
     13       8.1831     -0.00000
     14       8.9387      0.00000
     15       9.5943      0.00000
     16      10.1596      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1860      1.00000
      2      -7.2882      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7013     -0.00000
     13       8.1831     -0.00000
     14       8.9476      0.00000
     15       9.6379      0.00000
     16      10.2337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1860      1.00000
      2      -7.2882      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.9519      0.00000
     15       9.5835      0.00000
     16      10.2282      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1860      1.00000
      2      -7.2882      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.9565      0.00000
     15       9.6260      0.00000
     16      10.2331      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1860      1.00000
      2      -7.2882      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7012     -0.00000
     13       8.1831     -0.00000
     14       8.8995      0.00000
     15       9.6369      0.00000
     16      10.2896      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1860      1.00000
      2      -7.2882      1.00000
      3      -5.8978      1.00000
      4      -4.0014      1.00000
      5      -1.5448      1.00000
      6       1.0940      1.00000
      7       3.8129     -0.00002
      8       4.6788     -0.00000
      9       5.3876     -0.00000
     10       6.4982     -0.00000
     11       7.0983     -0.00000
     12       7.7015     -0.00000
     13       8.1831     -0.00000
     14       8.8931      0.00000
     15       9.5843      0.00000
     16      10.2086      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3227      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00124
      9       3.5113     -0.01463
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9783     -0.00000
     14       8.6703      0.00000
     15       9.1071      0.00000
     16       9.1684      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3227      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00122
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9792     -0.00000
     14       8.6715      0.00000
     15       9.1031      0.00000
     16       9.1284      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3227      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00124
      9       3.5113     -0.01463
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9820     -0.00000
     14       8.6621      0.00000
     15       9.1077      0.00000
     16       9.1338      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3227      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00124
      9       3.5113     -0.01463
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9784     -0.00000
     14       8.6599      0.00000
     15       9.1068      0.00000
     16       9.1214      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3227      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00124
      9       3.5113     -0.01463
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9801     -0.00000
     14       8.6603      0.00000
     15       9.1017      0.00000
     16       9.1168      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6080      1.00000
      3      -4.2122      1.00000
      4      -2.3227      1.00000
      5       0.0222      1.00000
      6       0.9922      1.00000
      7       1.9603      1.00000
      8       2.9831      1.00122
      9       3.5113     -0.01462
     10       5.1991     -0.00000
     11       5.9135     -0.00000
     12       7.3313     -0.00000
     13       7.9780     -0.00000
     14       8.6659      0.00000
     15       9.1036      0.00000
     16       9.1210      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0156     -0.00000
     15       8.8405      0.00000
     16       9.7210      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0154     -0.00000
     15       8.8249      0.00000
     16       9.7225      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0154     -0.00000
     15       8.8246      0.00000
     16       9.7801      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4898     -0.00000
     14       8.0154     -0.00000
     15       8.8247      0.00000
     16       9.7162      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4900     -0.00000
     14       8.0163     -0.00000
     15       8.8317      0.00000
     16       9.7223      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5067      1.00000
      3      -2.1295      1.00000
      4      -1.9015      1.00000
      5      -1.0617      1.00000
      6      -0.3622      1.00000
      7       0.6346      1.00000
      8       2.2951      1.00000
      9       2.6711      1.00174
     10       4.7359     -0.00000
     11       4.9117     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0163     -0.00000
     15       8.8251      0.00000
     16       9.7746      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4980      1.00000
      3      -6.1086      1.00000
      4      -4.2127      1.00000
      5      -1.7543      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0161     -0.00000
      9       6.4876     -0.00000
     10       7.2139     -0.00000
     11       7.3227     -0.00000
     12       7.4680     -0.00000
     13       7.6038     -0.00000
     14       8.3699     -0.00000
     15       8.7334      0.00000
     16      10.0733      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4980      1.00000
      3      -6.1086      1.00000
      4      -4.2127      1.00000
      5      -1.7543      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0161     -0.00000
      9       6.4876     -0.00000
     10       7.2139     -0.00000
     11       7.3228     -0.00000
     12       7.4680     -0.00000
     13       7.6038     -0.00000
     14       8.3689     -0.00000
     15       8.7321      0.00000
     16      10.0775      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4980      1.00000
      3      -6.1086      1.00000
      4      -4.2127      1.00000
      5      -1.7543      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0161     -0.00000
      9       6.4876     -0.00000
     10       7.2140     -0.00000
     11       7.3228     -0.00000
     12       7.4680     -0.00000
     13       7.6038     -0.00000
     14       8.3641     -0.00000
     15       8.7342      0.00000
     16      10.0860      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7373      1.00000
      5      -0.3067      1.00000
      6       2.1600      1.00000
      7       3.1295      0.59649
      8       4.0808     -0.00000
      9       5.0858     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7586     -0.00000
     15       8.4310     -0.00000
     16       8.7613      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7373      1.00000
      5      -0.3067      1.00000
      6       2.1600      1.00000
      7       3.1295      0.59650
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7584     -0.00000
     15       8.4360     -0.00000
     16       8.7630      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7373      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59647
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0126     -0.00000
     14       7.7656     -0.00000
     15       8.4358     -0.00000
     16       8.7657      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7373      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59649
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0124     -0.00000
     14       7.7590     -0.00000
     15       8.4274     -0.00000
     16       8.7640      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7373      1.00000
      5      -0.3067      1.00000
      6       2.1601      1.00000
      7       3.1295      0.59646
      8       4.0808     -0.00000
      9       5.0858     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7586     -0.00000
     15       8.4327     -0.00000
     16       8.7611      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0290      1.00000
      3      -4.6336      1.00000
      4      -2.7373      1.00000
      5      -0.3068      1.00000
      6       2.1600      1.00000
      7       3.1295      0.59649
      8       4.0808     -0.00000
      9       5.0859     -0.00000
     10       5.3437     -0.00000
     11       5.9015     -0.00000
     12       6.4698     -0.00000
     13       7.0123     -0.00000
     14       7.7583     -0.00000
     15       8.4278     -0.00000
     16       8.7664      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0578      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3909     -0.00000
     15       7.5342     -0.00000
     16       8.8658      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0578      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6231     -0.00000
     14       7.3910     -0.00000
     15       7.5350     -0.00000
     16       8.9211      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0578      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3908     -0.00000
     15       7.5327     -0.00000
     16       8.8652      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0578      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3909     -0.00000
     15       7.5332     -0.00000
     16       8.8780      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0578      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3910     -0.00000
     15       7.5333     -0.00000
     16       8.8881      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1374      1.00000
      3      -2.7442      1.00000
      4      -0.8996      1.00000
      5      -0.0578      1.00000
      6       0.7015      1.00000
      7       1.7025      1.00000
      8       2.5795      1.00020
      9       4.0690     -0.00000
     10       4.2740     -0.00000
     11       4.8625     -0.00000
     12       5.7135     -0.00000
     13       6.6230     -0.00000
     14       7.3915     -0.00000
     15       7.5335     -0.00000
     16       8.8816      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7484      1.00000
      2      -2.7263      1.00000
      3      -1.8421      1.00000
      4      -1.8386      1.00000
      5      -0.6976      1.00000
      6      -0.3011      1.00000
      7       1.2440      1.00000
      8       1.9788      1.00000
      9       3.7768     -0.00005
     10       3.9078     -0.00000
     11       4.7115     -0.00000
     12       5.7427     -0.00000
     13       6.3951     -0.00000
     14       6.7518     -0.00000
     15       7.1152     -0.00000
     16       8.7437      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7484      1.00000
      2      -2.7263      1.00000
      3      -1.8421      1.00000
      4      -1.8386      1.00000
      5      -0.6976      1.00000
      6      -0.3011      1.00000
      7       1.2440      1.00000
      8       1.9788      1.00000
      9       3.7768     -0.00005
     10       3.9078     -0.00000
     11       4.7115     -0.00000
     12       5.7427     -0.00000
     13       6.3951     -0.00000
     14       6.7518     -0.00000
     15       7.1151     -0.00000
     16       8.7109      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7484      1.00000
      2      -2.7263      1.00000
      3      -1.8421      1.00000
      4      -1.8386      1.00000
      5      -0.6976      1.00000
      6      -0.3011      1.00000
      7       1.2440      1.00000
      8       1.9788      1.00000
      9       3.7768     -0.00005
     10       3.9078     -0.00000
     11       4.7115     -0.00000
     12       5.7427     -0.00000
     13       6.3950     -0.00000
     14       6.7518     -0.00000
     15       7.1151     -0.00000
     16       8.7716      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3482      1.00000
      3      -2.9522      1.00000
      4      -1.0806      1.00000
      5       1.1548      1.00000
      6       2.0924      1.00000
      7       2.2525      1.00000
      8       2.9687      1.01436
      9       3.4213     -0.03359
     10       4.2149     -0.00000
     11       4.4824     -0.00000
     12       4.8443     -0.00000
     13       6.2143     -0.00000
     14       6.8565     -0.00000
     15       7.2640     -0.00000
     16       8.7050      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3482      1.00000
      3      -2.9522      1.00000
      4      -1.0807      1.00000
      5       1.1548      1.00000
      6       2.0924      1.00000
      7       2.2524      1.00000
      8       2.9687      1.01436
      9       3.4213     -0.03359
     10       4.2149     -0.00000
     11       4.4824     -0.00000
     12       4.8443     -0.00000
     13       6.2143     -0.00000
     14       6.8567     -0.00000
     15       7.2641     -0.00000
     16       8.6991      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3482      1.00000
      3      -2.9522      1.00000
      4      -1.0806      1.00000
      5       1.1548      1.00000
      6       2.0924      1.00000
      7       2.2525      1.00000
      8       2.9687      1.01436
      9       3.4212     -0.03359
     10       4.2149     -0.00000
     11       4.4824     -0.00000
     12       4.8443     -0.00000
     13       6.2142     -0.00000
     14       6.8565     -0.00000
     15       7.2640     -0.00000
     16       8.7047      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6564      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7482      1.00000
      8       1.8238      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39230
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2552     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6564      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7482      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39216
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.3066     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6564      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7482      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39231
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2955     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6564      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7482      1.00000
      8       1.8238      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39233
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.3920     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6564      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7482      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39222
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.2836     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2544      1.00000
      3      -0.8923      1.00000
      4      -0.6564      1.00000
      5       0.1616      1.00000
      6       0.8176      1.00000
      7       1.7482      1.00000
      8       1.8239      1.00000
      9       2.5360      1.00006
     10       3.1781      0.39222
     11       4.1369     -0.00000
     12       4.6538     -0.00000
     13       6.0505     -0.00000
     14       6.1567     -0.00000
     15       6.3759     -0.00000
     16       8.3448     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8839      1.00000
      2      -0.8699      1.00000
      3      -0.8428      1.00000
      4      -0.0395      1.00000
      5       0.0282      1.00000
      6       0.0346      1.00000
      7       1.0679      1.00000
      8       1.0848      1.00000
      9       1.7834      1.00000
     10       2.6847      1.00230
     11       4.0850     -0.00000
     12       4.1193     -0.00000
     13       5.9869     -0.00000
     14       6.0049     -0.00000
     15       6.0640     -0.00000
     16       8.0227     -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   1.881  -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  15.766  -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
  8.065  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   1.881   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  15.766   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
115.812 -61.858   0.000  -0.083  -0.000  -0.000  -0.023   0.000
-61.858  33.040  -0.000   0.035   0.000   0.000   0.014  -0.000
  0.000  -0.000   2.074  -0.000   0.000  -0.322   0.000  -0.000
 -0.083   0.035  -0.000   1.742  -0.000   0.000  -0.267   0.000
 -0.000   0.000   0.000  -0.000   2.074  -0.000   0.000  -0.322
 -0.000   0.000  -0.322   0.000  -0.000   0.050  -0.000   0.000
 -0.023   0.014   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
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   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    421.8853: real time    424.8582
    FORNL :  cpu time      0.5007: real time      0.5060
    FORCOR:  cpu time      1.9631: real time      1.9738
    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
 -----------------------------------------------------------------------------------------------
   0.727E-05 0.240E-04 0.183E+03   0.438E-13 0.277E-13 -.182E+03   -.804E-05 -.265E-04 -.125E+01
   -.119E-05 0.464E-05 0.913E+02   0.869E-15 0.285E-14 -.913E+02   0.555E-06 -.419E-05 0.193E+00
   -.958E-05 -.810E-05 -.100E+00   -.145E-12 -.872E-13 0.136E+00   0.128E-04 0.541E-05 -.633E-01
   0.846E-05 -.284E-04 -.923E+02   0.131E-12 0.864E-13 0.923E+02   -.404E-05 0.311E-04 0.698E-01
   0.330E-05 -.259E-04 -.182E+03   -.402E-13 -.265E-13 0.181E+03   -.166E-05 0.282E-04 0.107E+01
 -----------------------------------------------------------------------------------------------
   0.736E-05 -.363E-04 -.783E-02   -.971E-14 0.313E-14 -.284E-13   -.361E-06 0.340E-04 0.201E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000002     -0.000002     -0.127755
      0.00000      0.00000      2.33311        -0.000003      0.000000      0.135149
      1.42873      0.82488      4.66415         0.000001     -0.000003     -0.028618
      2.85746      1.64976      6.98142         0.000003      0.000003     -0.014394
      0.00000      0.00000      9.35083         0.000000      0.000002      0.035618
 -----------------------------------------------------------------------------------
    total drift:                                0.000007     -0.000001      0.013207


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90164717 eV

  energy  without entropy=      -13.89630092  energy(sigma->0) =      -13.89986509
 
 d Force = 0.1356787E-02[ 0.632E-03, 0.208E-02]  d Energy = 0.1501251E-02-0.144E-03
 d Force = 0.1125291E+01[ 0.112E+01, 0.113E+01]  d Ewald  = 0.1125294E+01-0.365E-05


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


    POTLOK:  cpu time      1.9605: real time      1.9714


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.111E-03   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.3945
 eigenvalue spectrum of G is  3.3945


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


    WAVPRE:  cpu time      0.0060: real time      0.0734
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9598: real time      1.9714
    EDDIAG:  cpu time    591.0630: real time    595.8870
    CHARGE:  cpu time      0.2652: real time      0.2672
 writing wavefunctions
     LOOP+:  cpu time   9253.5929: real time   9330.9113


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


    POTLOK:  cpu time      0.7276: real time      0.7331
    SETDIJ:  cpu time      1.2436: real time      1.2490
    TRIAL :  cpu time    586.5407: real time    591.3973
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    588.7909: real time    593.6612

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1205170E-02  (-0.3431163E-02)
 number of electron      15.0000000 magnetization      -0.0000294
 augmentation part       -0.0008475 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.47659824
  -exchange      EXHF   =        33.27971632
  -V(xc)+E(xc)   XCENC  =       -83.54366985
  PAW double counting   =    100902.63582957  -100801.67779724
  entropy T*S    EENTRO =        -0.00553859
  eigenvalues    EBANDS =       -35.08036690
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90043878 eV

  energy without entropy =      -13.89490019  energy(sigma->0) =      -13.89859258
  exchange ACFDT corr.  =        -0.00543719  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7257: real time      0.7314
    SETDIJ:  cpu time      1.2441: real time      1.2492
    TRIAL :  cpu time    584.1640: real time    589.0132
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    586.4037: real time    591.2657

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2979532E-04  (-0.2809865E-02)
 number of electron      15.0000000 magnetization      -0.0000296
 augmentation part       -0.0008447 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.26556327
  -exchange      EXHF   =        33.27822519
  -V(xc)+E(xc)   XCENC  =       -83.54419936
  PAW double counting   =    100901.41760652  -100800.45949509
  entropy T*S    EENTRO =        -0.00553827
  eigenvalues    EBANDS =       -35.28947681
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90046858 eV

  energy without entropy =      -13.89493031  energy(sigma->0) =      -13.89862249
  exchange ACFDT corr.  =        -0.00543785  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7249: real time      0.7308
    SETDIJ:  cpu time      1.2433: real time      1.2485
    TRIAL :  cpu time    586.9700: real time    591.8245
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    589.2082: real time    594.0759

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1148282E-02  (-0.8891060E-04)
 number of electron      15.0000000 magnetization      -0.0000295
 augmentation part       -0.0008448 magnetization       0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.15786432
  -exchange      EXHF   =        33.27711206
  -V(xc)+E(xc)   XCENC  =       -83.54461316
  PAW double counting   =    100904.65585295  -100803.69775187
  entropy T*S    EENTRO =        -0.00554417
  eigenvalues    EBANDS =       -35.39678710
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90161686 eV

  energy without entropy =      -13.89607268  energy(sigma->0) =      -13.89976880
  exchange ACFDT corr.  =        -0.00543097  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7255: real time      0.7310
    SETDIJ:  cpu time      1.2444: real time      1.2494
    TRIAL :  cpu time    587.9755: real time    592.8222
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    590.2151: real time    595.0744

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3890437E-04  (-0.5497549E-03)
 number of electron      15.0000000 magnetization      -0.0000290
 augmentation part       -0.0008466 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.14677724
  -exchange      EXHF   =        33.27670691
  -V(xc)+E(xc)   XCENC  =       -83.54477789
  PAW double counting   =    100908.29901566  -100807.34099054
  entropy T*S    EENTRO =        -0.00554984
  eigenvalues    EBANDS =       -35.40726133
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90165576 eV

  energy without entropy =      -13.89610593  energy(sigma->0) =      -13.89980582
  exchange ACFDT corr.  =        -0.00543135  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2508: real time      1.2559
    TRIAL :  cpu time    585.6576: real time    590.5255
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2657: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    587.9038: real time    592.7844

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3344548E-04  (-0.3649333E-03)
 number of electron      15.0000000 magnetization      -0.0000284
 augmentation part       -0.0008482 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.16096814
  -exchange      EXHF   =        33.27679144
  -V(xc)+E(xc)   XCENC  =       -83.54476811
  PAW double counting   =    100911.39164758  -100810.43364366
  entropy T*S    EENTRO =        -0.00554413
  eigenvalues    EBANDS =       -35.39317131
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90168921 eV

  energy without entropy =      -13.89614508  energy(sigma->0) =      -13.89984116
  exchange ACFDT corr.  =        -0.00543677  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7300
    SETDIJ:  cpu time      1.2495: real time      1.2547
    TRIAL :  cpu time    584.5575: real time    589.4104
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    586.8006: real time    591.6662

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1627933E-03  (-0.1303556E-04)
 number of electron      15.0000000 magnetization      -0.0000275
 augmentation part       -0.0008482 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.18396537
  -exchange      EXHF   =        33.27713641
  -V(xc)+E(xc)   XCENC  =       -83.54466283
  PAW double counting   =    100916.12835506  -100815.17034386
  entropy T*S    EENTRO =        -0.00554059
  eigenvalues    EBANDS =       -35.37080010
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90185200 eV

  energy without entropy =      -13.89631141  energy(sigma->0) =      -13.90000514
  exchange ACFDT corr.  =        -0.00543506  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2478: real time      1.2530
    TRIAL :  cpu time    586.1107: real time    590.9615
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    588.3537: real time    593.2172

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1491804E-05  (-0.9027623E-04)
 number of electron      15.0000000 magnetization      -0.0000266
 augmentation part       -0.0008467 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.19846011
  -exchange      EXHF   =        33.27743019
  -V(xc)+E(xc)   XCENC  =       -83.54456508
  PAW double counting   =    100921.91662344  -100820.95865647
  entropy T*S    EENTRO =        -0.00554157
  eigenvalues    EBANDS =       -35.35665771
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90185349 eV

  energy without entropy =      -13.89631193  energy(sigma->0) =      -13.90000630
  exchange ACFDT corr.  =        -0.00543583  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7246: real time      0.7301
    SETDIJ:  cpu time      1.2493: real time      1.2545
    TRIAL :  cpu time    586.2187: real time    591.0475
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    588.4622: real time    593.3035

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1156452E-04  (-0.4712417E-04)
 number of electron      15.0000000 magnetization      -0.0000257
 augmentation part       -0.0008444 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.21133012
  -exchange      EXHF   =        33.27759731
  -V(xc)+E(xc)   XCENC  =       -83.54450420
  PAW double counting   =    100927.97782809  -100827.01986253
  entropy T*S    EENTRO =        -0.00554102
  eigenvalues    EBANDS =       -35.34402488
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90186506 eV

  energy without entropy =      -13.89632404  energy(sigma->0) =      -13.90001805
  exchange ACFDT corr.  =        -0.00543703  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7304
    SETDIJ:  cpu time      1.2465: real time      1.2518
    TRIAL :  cpu time    585.5577: real time    590.3901
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    587.7995: real time    592.6448

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2342813E-04  (-0.3470741E-05)
 number of electron      15.0000000 magnetization      -0.0000248
 augmentation part       -0.0008415 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.22348408
  -exchange      EXHF   =        33.27765917
  -V(xc)+E(xc)   XCENC  =       -83.54448055
  PAW double counting   =    100934.31249547  -100833.35453552
  entropy T*S    EENTRO =        -0.00554102
  eigenvalues    EBANDS =       -35.33197477
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90188849 eV

  energy without entropy =      -13.89634747  energy(sigma->0) =      -13.90004148
  exchange ACFDT corr.  =        -0.00543855  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7298
    SETDIJ:  cpu time      1.2458: real time      1.2508
    TRIAL :  cpu time    584.9006: real time    589.7499
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    587.1405: real time    592.0023

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7501221E-06  (-0.1521047E-04)
 number of electron      15.0000000 magnetization      -0.0000240
 augmentation part       -0.0008385 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.21979845
  -exchange      EXHF   =        33.27760264
  -V(xc)+E(xc)   XCENC  =       -83.54449793
  PAW double counting   =    100940.21559619  -100839.25762989
  entropy T*S    EENTRO =        -0.00554162
  eigenvalues    EBANDS =       -35.33559361
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90188924 eV

  energy without entropy =      -13.89634762  energy(sigma->0) =      -13.90004203
  exchange ACFDT corr.  =        -0.00543855  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      4(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7253: real time      0.7307
    SETDIJ:  cpu time      1.2453: real time      1.2503
    TRIAL :  cpu time    586.3072: real time    591.1687
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    590.9244: real time    595.7531
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time   1179.4717: real time   1189.1743

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3279056E-05  (-0.6468455E-05)
 number of electron      15.0000000 magnetization      -0.0000231
 augmentation part       -0.0008358 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.38658859
  -Hartree energ DENC   =      -702.20813811
  -exchange      EXHF   =        33.27746728
  -V(xc)+E(xc)   XCENC  =       -83.54452902
  PAW double counting   =    100945.52269206  -100844.56471330
  entropy T*S    EENTRO =        -0.00554122
  eigenvalues    EBANDS =       -35.34714393
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90189252 eV

  energy without entropy =      -13.89635130  energy(sigma->0) =      -13.90004544
  exchange ACFDT corr.  =        -0.00543871  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0472


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8967       2 -69.7828       3 -69.7784       4 -69.7757       5 -69.8971
 
 
 
 E-fermi :   3.1533     XC(G=0):  -5.1183     alpha+bet : -8.9779

 Fermi energy:         3.1533123293

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8972      1.00000
      2     -10.0002      1.00000
      3      -8.6268      1.00000
      4      -6.7573      1.00000
      5      -4.3272      1.00000
      6      -1.5882      1.00000
      7       1.6315      1.00000
      8       4.6391     -0.00000
      9       5.4141     -0.00000
     10       7.9293     -0.00000
     11       7.9954     -0.00000
     12      11.8940      0.00000
     13      12.1887      0.00000
     14      16.0647      0.00000
     15      16.2780      0.00000
     16      16.5134      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6887      1.00000
      2      -9.7911      1.00000
      3      -8.4167      1.00000
      4      -6.5455      1.00000
      5      -4.1112      1.00000
      6      -1.3781      1.00000
      7       1.8451      1.00000
      8       4.8219     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1603     -0.00000
     12      12.0215      0.00000
     13      12.2846      0.00000
     14      13.1155      0.00000
     15      13.8648      0.00000
     16      14.3801      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6887      1.00000
      2      -9.7911      1.00000
      3      -8.4167      1.00000
      4      -6.5455      1.00000
      5      -4.1112      1.00000
      6      -1.3781      1.00000
      7       1.8451      1.00000
      8       4.8219     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1603     -0.00000
     12      12.0215      0.00000
     13      12.2846      0.00000
     14      13.1154      0.00000
     15      13.8446      0.00000
     16      14.5626      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6887      1.00000
      2      -9.7911      1.00000
      3      -8.4167      1.00000
      4      -6.5455      1.00000
      5      -4.1112      1.00000
      6      -1.3781      1.00000
      7       1.8451      1.00000
      8       4.8219     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1603     -0.00000
     12      12.0215      0.00000
     13      12.2846      0.00000
     14      13.1154      0.00000
     15      13.8462      0.00000
     16      14.3768      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0633      1.00000
      2      -9.1638      1.00000
      3      -7.7861      1.00000
      4      -5.9100      1.00000
      5      -3.4644      1.00000
      6      -0.7490      1.00000
      7       2.4711      1.00001
      8       5.3531     -0.00000
      9       6.1063     -0.00000
     10       8.4811     -0.00000
     11       8.6308      0.00000
     12       9.7259      0.00000
     13      10.2620      0.00000
     14      11.3698      0.00000
     15      12.5082      0.00000
     16      12.7771      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0633      1.00000
      2      -9.1638      1.00000
      3      -7.7861      1.00000
      4      -5.9100      1.00000
      5      -3.4644      1.00000
      6      -0.7490      1.00000
      7       2.4711      1.00001
      8       5.3531     -0.00000
      9       6.1063     -0.00000
     10       8.4811     -0.00000
     11       8.6308      0.00000
     12       9.7259      0.00000
     13      10.2620      0.00000
     14      11.3697      0.00000
     15      12.5134      0.00000
     16      12.8225      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0633      1.00000
      2      -9.1638      1.00000
      3      -7.7861      1.00000
      4      -5.9100      1.00000
      5      -3.4644      1.00000
      6      -0.7490      1.00000
      7       2.4711      1.00001
      8       5.3531     -0.00000
      9       6.1063     -0.00000
     10       8.4811     -0.00000
     11       8.6308      0.00000
     12       9.7259      0.00000
     13      10.2622      0.00000
     14      11.3697      0.00000
     15      12.5134      0.00000
     16      12.8989      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0202      1.00000
      2      -8.1172      1.00000
      3      -6.7340      1.00000
      4      -4.8508      1.00000
      5      -2.3928      1.00000
      6       0.2884      1.00000
      7       3.4268     -0.03290
      8       5.6433     -0.00000
      9       6.5460     -0.00000
     10       6.8574     -0.00000
     11       7.0526     -0.00000
     12       8.0577     -0.00000
     13       9.4057      0.00000
     14       9.5845      0.00000
     15       9.8082      0.00000
     16      11.5956      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0202      1.00000
      2      -8.1172      1.00000
      3      -6.7340      1.00000
      4      -4.8508      1.00000
      5      -2.3928      1.00000
      6       0.2884      1.00000
      7       3.4268     -0.03290
      8       5.6433     -0.00000
      9       6.5460     -0.00000
     10       6.8574     -0.00000
     11       7.0526     -0.00000
     12       8.0577     -0.00000
     13       9.4057      0.00000
     14       9.5845      0.00000
     15       9.8082      0.00000
     16      11.6094      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0202      1.00000
      2      -8.1172      1.00000
      3      -6.7340      1.00000
      4      -4.8508      1.00000
      5      -2.3928      1.00000
      6       0.2884      1.00000
      7       3.4268     -0.03290
      8       5.6433     -0.00000
      9       6.5460     -0.00000
     10       6.8574     -0.00000
     11       7.0526     -0.00000
     12       8.0577     -0.00000
     13       9.4057      0.00000
     14       9.5845      0.00000
     15       9.8082      0.00000
     16      11.6602      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5576      1.00000
      2      -6.6491      1.00000
      3      -5.2590      1.00000
      4      -3.3720      1.00000
      5      -0.9274      1.00000
      6       1.5759      1.00000
      7       2.5416      1.00007
      8       3.5140     -0.01425
      9       4.7945     -0.00000
     10       5.1416     -0.00000
     11       6.5257     -0.00000
     12       7.6601     -0.00000
     13       8.2150     -0.00000
     14       8.7173      0.00000
     15      10.5212      0.00000
     16      10.8374      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5576      1.00000
      2      -6.6491      1.00000
      3      -5.2590      1.00000
      4      -3.3720      1.00000
      5      -0.9274      1.00000
      6       1.5760      1.00000
      7       2.5416      1.00007
      8       3.5140     -0.01425
      9       4.7945     -0.00000
     10       5.1416     -0.00000
     11       6.5257     -0.00000
     12       7.6601     -0.00000
     13       8.2150     -0.00000
     14       8.7173      0.00000
     15      10.5224      0.00000
     16      10.8370      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5576      1.00000
      2      -6.6491      1.00000
      3      -5.2590      1.00000
      4      -3.3720      1.00000
      5      -0.9274      1.00000
      6       1.5759      1.00000
      7       2.5416      1.00007
      8       3.5140     -0.01425
      9       4.7945     -0.00000
     10       5.1416     -0.00000
     11       6.5257     -0.00000
     12       7.6601     -0.00000
     13       8.2150     -0.00000
     14       8.7173      0.00000
     15      10.5212      0.00000
     16      10.8358      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6715      1.00000
      2      -4.7568      1.00000
      3      -3.3658      1.00000
      4      -1.5199      1.00000
      5      -0.6741      1.00000
      6       0.1076      1.00000
      7       1.1145      1.00000
      8       2.0128      1.00000
      9       3.6496     -0.00126
     10       3.7456     -0.00011
     11       5.9401     -0.00000
     12       6.7177     -0.00000
     13       8.2367     -0.00000
     14       9.2049      0.00000
     15       9.7550      0.00000
     16      10.6472      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6715      1.00000
      2      -4.7568      1.00000
      3      -3.3658      1.00000
      4      -1.5198      1.00000
      5      -0.6741      1.00000
      6       0.1076      1.00000
      7       1.1145      1.00000
      8       2.0128      1.00000
      9       3.6496     -0.00126
     10       3.7456     -0.00011
     11       5.9401     -0.00000
     12       6.7177     -0.00000
     13       8.2367     -0.00000
     14       9.2031      0.00000
     15       9.7548      0.00000
     16      10.4120      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6715      1.00000
      2      -4.7568      1.00000
      3      -3.3658      1.00000
      4      -1.5198      1.00000
      5      -0.6741      1.00000
      6       0.1076      1.00000
      7       1.1145      1.00000
      8       2.0128      1.00000
      9       3.6496     -0.00126
     10       3.7456     -0.00011
     11       5.9401     -0.00000
     12       6.7177     -0.00000
     13       8.2367     -0.00000
     14       9.2035      0.00000
     15       9.7546      0.00000
     16      10.5085      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3737      1.00000
      2      -3.3511      1.00000
      3      -2.4616      1.00000
      4      -2.4458      1.00000
      5      -1.3037      1.00000
      6      -0.9087      1.00000
      7       0.6410      1.00000
      8       1.3846      1.00000
      9       3.3924     -0.03532
     10       3.5317     -0.01112
     11       5.6767     -0.00000
     12       6.0190     -0.00000
     13       8.4163     -0.00000
     14       8.8685      0.00000
     15      10.2968      0.00000
     16      10.5539      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3737      1.00000
      2      -3.3511      1.00000
      3      -2.4616      1.00000
      4      -2.4458      1.00000
      5      -1.3037      1.00000
      6      -0.9087      1.00000
      7       0.6410      1.00000
      8       1.3846      1.00000
      9       3.3924     -0.03532
     10       3.5317     -0.01112
     11       5.6767     -0.00000
     12       6.0190     -0.00000
     13       8.4163     -0.00000
     14       8.8684      0.00000
     15      10.2881      0.00000
     16      10.6765      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3737      1.00000
      2      -3.3511      1.00000
      3      -2.4616      1.00000
      4      -2.4458      1.00000
      5      -1.3037      1.00000
      6      -0.9087      1.00000
      7       0.6410      1.00000
      8       1.3846      1.00000
      9       3.3924     -0.03532
     10       3.5317     -0.01112
     11       5.6767     -0.00000
     12       6.0190     -0.00000
     13       8.4163     -0.00000
     14       8.8684      0.00000
     15      10.2459      0.00000
     16      10.5580      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2718      1.00000
      2      -9.3729      1.00000
      3      -7.9964      1.00000
      4      -6.1218      1.00000
      5      -3.6798      1.00000
      6      -0.9584      1.00000
      7       2.2653      1.00000
      8       5.1807     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4261      0.00000
     13      11.4464      0.00000
     14      11.8844      0.00000
     15      12.0084      0.00000
     16      12.6777      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2718      1.00000
      2      -9.3729      1.00000
      3      -7.9964      1.00000
      4      -6.1218      1.00000
      5      -3.6798      1.00000
      6      -0.9584      1.00000
      7       2.2653      1.00000
      8       5.1807     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4246      0.00000
     13      11.4651      0.00000
     14      11.8872      0.00000
     15      12.0049      0.00000
     16      12.7119      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2718      1.00000
      2      -9.3729      1.00000
      3      -7.9964      1.00000
      4      -6.1218      1.00000
      5      -3.6798      1.00000
      6      -0.9584      1.00000
      7       2.2653      1.00000
      8       5.1807     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4253      0.00000
     13      11.4407      0.00000
     14      11.8901      0.00000
     15      12.0164      0.00000
     16      12.6729      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8201      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82125
      8       5.8310     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4228      0.00000
     14       9.8285      0.00000
     15      10.1785      0.00000
     16      10.7130      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8201      1.00000
      6      -0.1235      1.00000
      7       3.0700      0.82125
      8       5.8310     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4229      0.00000
     14       9.8284      0.00000
     15      10.1776      0.00000
     16      10.7100      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8201      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82125
      8       5.8310     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4228      0.00000
     14       9.8285      0.00000
     15      10.1783      0.00000
     16      10.7137      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8201      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82125
      8       5.8310     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4229      0.00000
     14       9.8286      0.00000
     15      10.1781      0.00000
     16      10.7104      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8201      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82125
      8       5.8310     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4229      0.00000
     14       9.8286      0.00000
     15      10.1793      0.00000
     16      10.7133      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8201      1.00000
      6      -0.1235      1.00000
      7       3.0700      0.82125
      8       5.8310     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4228      0.00000
     14       9.8286      0.00000
     15      10.1780      0.00000
     16      10.7088      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0045      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.8988      0.00000
     15       9.6187      0.00000
     16      10.2259      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0045      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.9137      0.00000
     15       9.6878      0.00000
     16      10.1367      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0045      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.9110      0.00000
     15       9.6506      0.00000
     16      10.2770      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0045      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.9344      0.00000
     15       9.6110      0.00000
     16      10.2722      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0045      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.9049      0.00000
     15       9.6044      0.00000
     16      10.1822      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0045      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.9082      0.00000
     15      10.0175      0.00000
     16      10.2534      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2056      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99983
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9128     -0.00000
     12       7.3310     -0.00000
     13       7.9784     -0.00000
     14       8.6630      0.00000
     15       9.1027      0.00000
     16       9.1290      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2056      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99985
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9128     -0.00000
     12       7.3310     -0.00000
     13       7.9793     -0.00000
     14       8.6601      0.00000
     15       9.1030      0.00000
     16       9.1277      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2056      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99984
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9128     -0.00000
     12       7.3310     -0.00000
     13       7.9791     -0.00000
     14       8.6562      0.00000
     15       9.1028      0.00000
     16       9.1185      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2056      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99983
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9128     -0.00000
     12       7.3310     -0.00000
     13       7.9785     -0.00000
     14       8.6572      0.00000
     15       9.1033      0.00000
     16       9.1233      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2056      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99984
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9128     -0.00000
     12       7.3310     -0.00000
     13       7.9785     -0.00000
     14       8.6639      0.00000
     15       9.1039      0.00000
     16       9.1346      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2056      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99985
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9128     -0.00000
     12       7.3310     -0.00000
     13       7.9787     -0.00000
     14       8.6574      0.00000
     15       9.1053      0.00000
     16       9.1194      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8322      0.00000
     16       9.7132      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3616      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4904     -0.00000
     14       8.0163     -0.00000
     15       8.8320      0.00000
     16       9.7527      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8534      0.00000
     16       9.8184      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8321      0.00000
     16       9.7101      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0263     -0.00000
     13       7.4904     -0.00000
     14       8.0167     -0.00000
     15       8.8331      0.00000
     16       9.7048      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3616      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8384      0.00000
     16       9.8057      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3941      1.00000
      2      -7.4887      1.00000
      3      -6.1023      1.00000
      4      -4.2158      1.00000
      5      -1.7552      1.00000
      6       0.9024      1.00000
      7       3.9658     -0.00000
      8       6.0159     -0.00000
      9       6.4889     -0.00000
     10       7.2196     -0.00000
     11       7.3202     -0.00000
     12       7.4767     -0.00000
     13       7.6026     -0.00000
     14       8.3722     -0.00000
     15       8.7940      0.00000
     16      10.0748      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3941      1.00000
      2      -7.4887      1.00000
      3      -6.1023      1.00000
      4      -4.2158      1.00000
      5      -1.7552      1.00000
      6       0.9024      1.00000
      7       3.9658     -0.00000
      8       6.0159     -0.00000
      9       6.4889     -0.00000
     10       7.2196     -0.00000
     11       7.3202     -0.00000
     12       7.4767     -0.00000
     13       7.6026     -0.00000
     14       8.3708     -0.00000
     15       8.7376      0.00000
     16      10.0676      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3941      1.00000
      2      -7.4887      1.00000
      3      -6.1023      1.00000
      4      -4.2158      1.00000
      5      -1.7552      1.00000
      6       0.9024      1.00000
      7       3.9658     -0.00000
      8       6.0159     -0.00000
      9       6.4889     -0.00000
     10       7.2196     -0.00000
     11       7.3202     -0.00000
     12       7.4767     -0.00000
     13       7.6026     -0.00000
     14       8.3690     -0.00000
     15       8.7369      0.00000
     16      10.0564      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7403      1.00000
      5      -0.3075      1.00000
      6       2.1607      1.00000
      7       3.1303      0.59530
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9041     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4231     -0.00000
     16       8.7594      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7403      1.00000
      5      -0.3075      1.00000
      6       2.1607      1.00000
      7       3.1303      0.59529
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9041     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4242     -0.00000
     16       8.7635      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7403      1.00000
      5      -0.3075      1.00000
      6       2.1607      1.00000
      7       3.1303      0.59530
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9041     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4253     -0.00000
     16       8.7607      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7403      1.00000
      5      -0.3075      1.00000
      6       2.1607      1.00000
      7       3.1303      0.59530
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9041     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4270     -0.00000
     16       8.7604      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7403      1.00000
      5      -0.3075      1.00000
      6       2.1607      1.00000
      7       3.1303      0.59530
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9041     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7603     -0.00000
     15       8.4227     -0.00000
     16       8.7636      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7403      1.00000
      5      -0.3075      1.00000
      6       2.1607      1.00000
      7       3.1303      0.59529
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9041     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4240     -0.00000
     16       8.7589      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0435      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3946     -0.00000
     15       7.5324     -0.00000
     16       8.8521      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0435      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3945     -0.00000
     15       7.5326     -0.00000
     16       8.8542      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0435      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3945     -0.00000
     15       7.5325     -0.00000
     16       8.8532      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0435      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3945     -0.00000
     15       7.5324     -0.00000
     16       8.8765      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0435      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3946     -0.00000
     15       7.5326     -0.00000
     16       8.8838      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0435      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3945     -0.00000
     15       7.5327     -0.00000
     16       8.9018      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7252      1.00000
      3      -1.8340      1.00000
      4      -1.8279      1.00000
      5      -0.6896      1.00000
      6      -0.2957      1.00000
      7       1.2412      1.00000
      8       1.9759      1.00000
      9       3.7775     -0.00005
     10       3.9065     -0.00000
     11       4.7141     -0.00000
     12       5.7481     -0.00000
     13       6.3945     -0.00000
     14       6.7531     -0.00000
     15       7.1203     -0.00000
     16       8.8563      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7252      1.00000
      3      -1.8340      1.00000
      4      -1.8279      1.00000
      5      -0.6896      1.00000
      6      -0.2957      1.00000
      7       1.2412      1.00000
      8       1.9759      1.00000
      9       3.7775     -0.00005
     10       3.9065     -0.00000
     11       4.7141     -0.00000
     12       5.7481     -0.00000
     13       6.3945     -0.00000
     14       6.7531     -0.00000
     15       7.1203     -0.00000
     16       8.7867      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7252      1.00000
      3      -1.8340      1.00000
      4      -1.8279      1.00000
      5      -0.6896      1.00000
      6      -0.2957      1.00000
      7       1.2412      1.00000
      8       1.9759      1.00000
      9       3.7775     -0.00005
     10       3.9065     -0.00000
     11       4.7141     -0.00000
     12       5.7481     -0.00000
     13       6.3945     -0.00000
     14       6.7531     -0.00000
     15       7.1203     -0.00000
     16       8.7784      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2541      1.00000
      2      -4.3388      1.00000
      3      -2.9455      1.00000
      4      -1.0835      1.00000
      5       1.1547      1.00000
      6       2.0931      1.00000
      7       2.2552      1.00000
      8       2.9754      1.00944
      9       3.4296     -0.03236
     10       4.2208     -0.00000
     11       4.4846     -0.00000
     12       4.8489     -0.00000
     13       6.2117     -0.00000
     14       6.8539     -0.00000
     15       7.2624     -0.00000
     16       8.6962      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2541      1.00000
      2      -4.3388      1.00000
      3      -2.9455      1.00000
      4      -1.0835      1.00000
      5       1.1547      1.00000
      6       2.0931      1.00000
      7       2.2552      1.00000
      8       2.9754      1.00943
      9       3.4296     -0.03236
     10       4.2208     -0.00000
     11       4.4846     -0.00000
     12       4.8489     -0.00000
     13       6.2117     -0.00000
     14       6.8539     -0.00000
     15       7.2625     -0.00000
     16       8.7131      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2541      1.00000
      2      -4.3388      1.00000
      3      -2.9455      1.00000
      4      -1.0835      1.00000
      5       1.1547      1.00000
      6       2.0931      1.00000
      7       2.2552      1.00000
      8       2.9754      1.00944
      9       3.4296     -0.03236
     10       4.2208     -0.00000
     11       4.4846     -0.00000
     12       4.8489     -0.00000
     13       6.2117     -0.00000
     14       6.8539     -0.00000
     15       7.2625     -0.00000
     16       8.7128      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1701      1.00000
      6       0.8187      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1793      0.39235
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2327     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1701      1.00000
      6       0.8187      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39244
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.3149     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1701      1.00000
      6       0.8187      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1793      0.39234
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2574     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1701      1.00000
      6       0.8187      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1793      0.39234
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2651     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1701      1.00000
      6       0.8187      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1793      0.39239
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2499     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1701      1.00000
      6       0.8187      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39240
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.4350     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8856      1.00000
      2      -0.8663      1.00000
      3      -0.8423      1.00000
      4      -0.0328      1.00000
      5       0.0349      1.00000
      6       0.0488      1.00000
      7       1.0806      1.00000
      8       1.0881      1.00000
      9       1.7876      1.00000
     10       2.6818      1.00214
     11       4.0871     -0.00000
     12       4.1108     -0.00000
     13       5.9841     -0.00000
     14       6.0046     -0.00000
     15       6.0652     -0.00000
     16       8.0195     -0.00000
 Fermi energy:         3.1533123293

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8972      1.00000
      2     -10.0002      1.00000
      3      -8.6268      1.00000
      4      -6.7573      1.00000
      5      -4.3272      1.00000
      6      -1.5882      1.00000
      7       1.6315      1.00000
      8       4.6391     -0.00000
      9       5.4141     -0.00000
     10       7.9293     -0.00000
     11       7.9954     -0.00000
     12      11.8940      0.00000
     13      12.1887      0.00000
     14      16.0679      0.00000
     15      16.3979      0.00000
     16      16.7022      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6887      1.00000
      2      -9.7911      1.00000
      3      -8.4167      1.00000
      4      -6.5455      1.00000
      5      -4.1112      1.00000
      6      -1.3782      1.00000
      7       1.8451      1.00000
      8       4.8219     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1603     -0.00000
     12      12.0215      0.00000
     13      12.2846      0.00000
     14      13.1154      0.00000
     15      13.8458      0.00000
     16      14.3370      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6887      1.00000
      2      -9.7911      1.00000
      3      -8.4167      1.00000
      4      -6.5455      1.00000
      5      -4.1112      1.00000
      6      -1.3782      1.00000
      7       1.8451      1.00000
      8       4.8219     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1603     -0.00000
     12      12.0215      0.00000
     13      12.2846      0.00000
     14      13.1154      0.00000
     15      13.8453      0.00000
     16      14.3259      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6887      1.00000
      2      -9.7911      1.00000
      3      -8.4167      1.00000
      4      -6.5455      1.00000
      5      -4.1112      1.00000
      6      -1.3782      1.00000
      7       1.8451      1.00000
      8       4.8219     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1603     -0.00000
     12      12.0215      0.00000
     13      12.2845      0.00000
     14      13.1155      0.00000
     15      13.8531      0.00000
     16      14.3620      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0633      1.00000
      2      -9.1638      1.00000
      3      -7.7861      1.00000
      4      -5.9100      1.00000
      5      -3.4645      1.00000
      6      -0.7490      1.00000
      7       2.4710      1.00001
      8       5.3530     -0.00000
      9       6.1063     -0.00000
     10       8.4811     -0.00000
     11       8.6308      0.00000
     12       9.7259      0.00000
     13      10.2620      0.00000
     14      11.3698      0.00000
     15      12.5212      0.00000
     16      12.9116      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0633      1.00000
      2      -9.1638      1.00000
      3      -7.7861      1.00000
      4      -5.9100      1.00000
      5      -3.4645      1.00000
      6      -0.7490      1.00000
      7       2.4710      1.00001
      8       5.3530     -0.00000
      9       6.1063     -0.00000
     10       8.4811     -0.00000
     11       8.6308      0.00000
     12       9.7259      0.00000
     13      10.2620      0.00000
     14      11.3697      0.00000
     15      12.5086      0.00000
     16      12.7753      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0633      1.00000
      2      -9.1638      1.00000
      3      -7.7861      1.00000
      4      -5.9100      1.00000
      5      -3.4645      1.00000
      6      -0.7490      1.00000
      7       2.4710      1.00001
      8       5.3530     -0.00000
      9       6.1063     -0.00000
     10       8.4811     -0.00000
     11       8.6308      0.00000
     12       9.7259      0.00000
     13      10.2619      0.00000
     14      11.3697      0.00000
     15      12.5146      0.00000
     16      12.8456      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0202      1.00000
      2      -8.1172      1.00000
      3      -6.7341      1.00000
      4      -4.8509      1.00000
      5      -2.3928      1.00000
      6       0.2883      1.00000
      7       3.4268     -0.03291
      8       5.6433     -0.00000
      9       6.5460     -0.00000
     10       6.8574     -0.00000
     11       7.0526     -0.00000
     12       8.0577     -0.00000
     13       9.4057      0.00000
     14       9.5845      0.00000
     15       9.8082      0.00000
     16      11.5985      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0202      1.00000
      2      -8.1172      1.00000
      3      -6.7341      1.00000
      4      -4.8509      1.00000
      5      -2.3928      1.00000
      6       0.2883      1.00000
      7       3.4268     -0.03291
      8       5.6433     -0.00000
      9       6.5460     -0.00000
     10       6.8574     -0.00000
     11       7.0526     -0.00000
     12       8.0577     -0.00000
     13       9.4057      0.00000
     14       9.5845      0.00000
     15       9.8081      0.00000
     16      11.6310      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0202      1.00000
      2      -8.1172      1.00000
      3      -6.7341      1.00000
      4      -4.8509      1.00000
      5      -2.3928      1.00000
      6       0.2883      1.00000
      7       3.4268     -0.03291
      8       5.6433     -0.00000
      9       6.5460     -0.00000
     10       6.8574     -0.00000
     11       7.0526     -0.00000
     12       8.0577     -0.00000
     13       9.4057      0.00000
     14       9.5845      0.00000
     15       9.8081      0.00000
     16      11.6105      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5576      1.00000
      2      -6.6491      1.00000
      3      -5.2590      1.00000
      4      -3.3720      1.00000
      5      -0.9274      1.00000
      6       1.5759      1.00000
      7       2.5416      1.00007
      8       3.5140     -0.01425
      9       4.7945     -0.00000
     10       5.1416     -0.00000
     11       6.5257     -0.00000
     12       7.6600     -0.00000
     13       8.2150     -0.00000
     14       8.7173      0.00000
     15      10.5194      0.00000
     16      10.8375      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5576      1.00000
      2      -6.6491      1.00000
      3      -5.2590      1.00000
      4      -3.3720      1.00000
      5      -0.9274      1.00000
      6       1.5759      1.00000
      7       2.5416      1.00007
      8       3.5140     -0.01425
      9       4.7945     -0.00000
     10       5.1416     -0.00000
     11       6.5257     -0.00000
     12       7.6601     -0.00000
     13       8.2150     -0.00000
     14       8.7173      0.00000
     15      10.5247      0.00000
     16      10.8402      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5576      1.00000
      2      -6.6491      1.00000
      3      -5.2590      1.00000
      4      -3.3720      1.00000
      5      -0.9274      1.00000
      6       1.5759      1.00000
      7       2.5416      1.00007
      8       3.5140     -0.01425
      9       4.7945     -0.00000
     10       5.1416     -0.00000
     11       6.5257     -0.00000
     12       7.6600     -0.00000
     13       8.2150     -0.00000
     14       8.7173      0.00000
     15      10.5242      0.00000
     16      10.8445      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6715      1.00000
      2      -4.7568      1.00000
      3      -3.3658      1.00000
      4      -1.5199      1.00000
      5      -0.6741      1.00000
      6       0.1076      1.00000
      7       1.1145      1.00000
      8       2.0128      1.00000
      9       3.6496     -0.00126
     10       3.7456     -0.00011
     11       5.9401     -0.00000
     12       6.7177     -0.00000
     13       8.2367     -0.00000
     14       9.2031      0.00000
     15       9.7546      0.00000
     16      10.5283      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6715      1.00000
      2      -4.7568      1.00000
      3      -3.3658      1.00000
      4      -1.5199      1.00000
      5      -0.6741      1.00000
      6       0.1076      1.00000
      7       1.1145      1.00000
      8       2.0128      1.00000
      9       3.6496     -0.00126
     10       3.7456     -0.00011
     11       5.9401     -0.00000
     12       6.7177     -0.00000
     13       8.2367     -0.00000
     14       9.2034      0.00000
     15       9.7546      0.00000
     16      10.5796      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6715      1.00000
      2      -4.7568      1.00000
      3      -3.3658      1.00000
      4      -1.5199      1.00000
      5      -0.6741      1.00000
      6       0.1076      1.00000
      7       1.1145      1.00000
      8       2.0128      1.00000
      9       3.6496     -0.00126
     10       3.7456     -0.00011
     11       5.9401     -0.00000
     12       6.7177     -0.00000
     13       8.2367     -0.00000
     14       9.2031      0.00000
     15       9.7552      0.00000
     16      10.5825      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3737      1.00000
      2      -3.3511      1.00000
      3      -2.4616      1.00000
      4      -2.4458      1.00000
      5      -1.3037      1.00000
      6      -0.9087      1.00000
      7       0.6410      1.00000
      8       1.3846      1.00000
      9       3.3924     -0.03532
     10       3.5317     -0.01112
     11       5.6767     -0.00000
     12       6.0190     -0.00000
     13       8.4163     -0.00000
     14       8.8688      0.00000
     15      10.4668      0.00000
     16      10.9818      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3737      1.00000
      2      -3.3511      1.00000
      3      -2.4616      1.00000
      4      -2.4458      1.00000
      5      -1.3037      1.00000
      6      -0.9087      1.00000
      7       0.6410      1.00000
      8       1.3846      1.00000
      9       3.3924     -0.03532
     10       3.5317     -0.01112
     11       5.6767     -0.00000
     12       6.0190     -0.00000
     13       8.4163     -0.00000
     14       8.8684      0.00000
     15      10.3229      0.00000
     16      10.5933      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3737      1.00000
      2      -3.3511      1.00000
      3      -2.4616      1.00000
      4      -2.4458      1.00000
      5      -1.3037      1.00000
      6      -0.9087      1.00000
      7       0.6410      1.00000
      8       1.3846      1.00000
      9       3.3924     -0.03532
     10       3.5317     -0.01112
     11       5.6767     -0.00000
     12       6.0190     -0.00000
     13       8.4163     -0.00000
     14       8.8686      0.00000
     15      10.5457      0.00000
     16      11.3408      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2718      1.00000
      2      -9.3729      1.00000
      3      -7.9964      1.00000
      4      -6.1218      1.00000
      5      -3.6798      1.00000
      6      -0.9585      1.00000
      7       2.2653      1.00000
      8       5.1806     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4681     -0.00000
     12      11.4246      0.00000
     13      11.4413      0.00000
     14      11.8840      0.00000
     15      12.0166      0.00000
     16      12.6714      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2718      1.00000
      2      -9.3729      1.00000
      3      -7.9964      1.00000
      4      -6.1218      1.00000
      5      -3.6798      1.00000
      6      -0.9585      1.00000
      7       2.2653      1.00000
      8       5.1806     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4681     -0.00000
     12      11.4250      0.00000
     13      11.4395      0.00000
     14      11.8879      0.00000
     15      12.0174      0.00000
     16      12.6535      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2718      1.00000
      2      -9.3729      1.00000
      3      -7.9964      1.00000
      4      -6.1218      1.00000
      5      -3.6798      1.00000
      6      -0.9585      1.00000
      7       2.2653      1.00000
      8       5.1806     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4681     -0.00000
     12      11.4244      0.00000
     13      11.4404      0.00000
     14      11.8790      0.00000
     15      12.0633      0.00000
     16      12.7492      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8202      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82134
      8       5.8309     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4228      0.00000
     14       9.8285      0.00000
     15      10.1782      0.00000
     16      10.7090      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8202      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82134
      8       5.8309     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4228      0.00000
     14       9.8285      0.00000
     15      10.1803      0.00000
     16      10.7153      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8202      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82134
      8       5.8309     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4229      0.00000
     14       9.8285      0.00000
     15      10.1784      0.00000
     16      10.7087      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8202      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82134
      8       5.8309     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4229      0.00000
     14       9.8285      0.00000
     15      10.1777      0.00000
     16      10.7089      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8202      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82134
      8       5.8309     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4229      0.00000
     14       9.8285      0.00000
     15      10.1783      0.00000
     16      10.7093      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.5361      1.00000
      3      -7.1551      1.00000
      4      -5.2744      1.00000
      5      -2.8202      1.00000
      6      -0.1235      1.00000
      7       3.0699      0.82134
      8       5.8309     -0.00000
      9       6.6034     -0.00000
     10       7.8541     -0.00000
     11       8.5767     -0.00000
     12       9.0045      0.00000
     13       9.4228      0.00000
     14       9.8284      0.00000
     15      10.1781      0.00000
     16      10.7087      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0046      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1810     -0.00000
     14       8.9120      0.00000
     15       9.5928      0.00000
     16      10.1358      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0046      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1810     -0.00000
     14       8.9184      0.00000
     15       9.6172      0.00000
     16      10.2177      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0046      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1810     -0.00000
     14       8.9207      0.00000
     15       9.5897      0.00000
     16      10.2097      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0046      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1810     -0.00000
     14       8.9243      0.00000
     15       9.6097      0.00000
     16      10.2131      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0046      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1811     -0.00000
     14       8.8961      0.00000
     15       9.6234      0.00000
     16      10.2834      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1850      1.00000
      2      -7.2789      1.00000
      3      -5.8915      1.00000
      4      -4.0046      1.00000
      5      -1.5456      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3956     -0.00000
     10       6.5034     -0.00000
     11       7.0940     -0.00000
     12       7.6992     -0.00000
     13       8.1810     -0.00000
     14       8.8930      0.00000
     15       9.5894      0.00000
     16      10.1984      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2057      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99986
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9127     -0.00000
     12       7.3310     -0.00000
     13       7.9785     -0.00000
     14       8.6603      0.00000
     15       9.1057      0.00000
     16       9.1340      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2057      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99985
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9127     -0.00000
     12       7.3310     -0.00000
     13       7.9789     -0.00000
     14       8.6610      0.00000
     15       9.1025      0.00000
     16       9.1280      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2057      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99986
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9127     -0.00000
     12       7.3310     -0.00000
     13       7.9798     -0.00000
     14       8.6562      0.00000
     15       9.1044      0.00000
     16       9.1243      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2057      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99986
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9127     -0.00000
     12       7.3310     -0.00000
     13       7.9785     -0.00000
     14       8.6562      0.00000
     15       9.1047      0.00000
     16       9.1225      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2057      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99986
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9127     -0.00000
     12       7.3310     -0.00000
     13       7.9791     -0.00000
     14       8.6564      0.00000
     15       9.1023      0.00000
     16       9.1190      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5986      1.00000
      3      -4.2057      1.00000
      4      -2.3257      1.00000
      5       0.0218      1.00000
      6       0.9936      1.00000
      7       1.9676      1.00000
      8       2.9848      0.99985
      9       3.5169     -0.01386
     10       5.1964     -0.00000
     11       5.9127     -0.00000
     12       7.3310     -0.00000
     13       7.9784     -0.00000
     14       8.6588      0.00000
     15       9.1030      0.00000
     16       9.1223      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9008      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8388      0.00000
     16       9.7081      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9008      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8317      0.00000
     16       9.7150      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9008      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8317      0.00000
     16       9.7247      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9008      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8317      0.00000
     16       9.7082      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9007      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8325      0.00000
     16       9.7059      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4122      1.00000
      2      -3.4972      1.00000
      3      -2.1228      1.00000
      4      -1.9008      1.00000
      5      -1.0532      1.00000
      6      -0.3617      1.00000
      7       0.6382      1.00000
      8       2.2931      1.00000
      9       2.6694      1.00165
     10       4.7369     -0.00000
     11       4.9097     -0.00000
     12       7.0262     -0.00000
     13       7.4903     -0.00000
     14       8.0165     -0.00000
     15       8.8319      0.00000
     16       9.7494      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3941      1.00000
      2      -7.4887      1.00000
      3      -6.1023      1.00000
      4      -4.2159      1.00000
      5      -1.7552      1.00000
      6       0.9024      1.00000
      7       3.9658     -0.00000
      8       6.0158     -0.00000
      9       6.4889     -0.00000
     10       7.2196     -0.00000
     11       7.3202     -0.00000
     12       7.4767     -0.00000
     13       7.6025     -0.00000
     14       8.3715     -0.00000
     15       8.7371      0.00000
     16      10.0670      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3941      1.00000
      2      -7.4887      1.00000
      3      -6.1023      1.00000
      4      -4.2159      1.00000
      5      -1.7552      1.00000
      6       0.9024      1.00000
      7       3.9658     -0.00000
      8       6.0158     -0.00000
      9       6.4889     -0.00000
     10       7.2196     -0.00000
     11       7.3202     -0.00000
     12       7.4767     -0.00000
     13       7.6025     -0.00000
     14       8.3709     -0.00000
     15       8.7370      0.00000
     16      10.0666      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3941      1.00000
      2      -7.4887      1.00000
      3      -6.1023      1.00000
      4      -4.2159      1.00000
      5      -1.7552      1.00000
      6       0.9024      1.00000
      7       3.9658     -0.00000
      8       6.0158     -0.00000
      9       6.4889     -0.00000
     10       7.2196     -0.00000
     11       7.3202     -0.00000
     12       7.4767     -0.00000
     13       7.6025     -0.00000
     14       8.3692     -0.00000
     15       8.7375      0.00000
     16      10.0783      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7404      1.00000
      5      -0.3075      1.00000
      6       2.1606      1.00000
      7       3.1302      0.59536
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9040     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4242     -0.00000
     16       8.7592      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7404      1.00000
      5      -0.3075      1.00000
      6       2.1606      1.00000
      7       3.1302      0.59536
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9040     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4264     -0.00000
     16       8.7604      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7404      1.00000
      5      -0.3075      1.00000
      6       2.1606      1.00000
      7       3.1302      0.59535
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9040     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7611     -0.00000
     15       8.4242     -0.00000
     16       8.7629      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7404      1.00000
      5      -0.3075      1.00000
      6       2.1606      1.00000
      7       3.1302      0.59536
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9040     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7602     -0.00000
     15       8.4223     -0.00000
     16       8.7611      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7404      1.00000
      5      -0.3075      1.00000
      6       2.1606      1.00000
      7       3.1302      0.59535
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9040     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4252     -0.00000
     16       8.7590      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9305      1.00000
      2      -6.0197      1.00000
      3      -4.6271      1.00000
      4      -2.7404      1.00000
      5      -0.3075      1.00000
      6       2.1606      1.00000
      7       3.1302      0.59536
      8       4.0887     -0.00000
      9       5.0868     -0.00000
     10       5.3498     -0.00000
     11       5.9040     -0.00000
     12       6.4754     -0.00000
     13       7.0127     -0.00000
     14       7.7599     -0.00000
     15       8.4228     -0.00000
     16       8.7628      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0436      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3945     -0.00000
     15       7.5328     -0.00000
     16       8.8587      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0436      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6252     -0.00000
     14       7.3945     -0.00000
     15       7.5333     -0.00000
     16       8.8498      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0436      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6251     -0.00000
     14       7.3945     -0.00000
     15       7.5325     -0.00000
     16       8.8573      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0436      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6251     -0.00000
     14       7.3945     -0.00000
     15       7.5325     -0.00000
     16       8.8662      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0436      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6251     -0.00000
     14       7.3945     -0.00000
     15       7.5325     -0.00000
     16       8.8745      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0436      1.00000
      2      -4.1280      1.00000
      3      -2.7376      1.00000
      4      -0.9021      1.00000
      5      -0.0575      1.00000
      6       0.7095      1.00000
      7       1.7050      1.00000
      8       2.5841      1.00021
      9       4.0695     -0.00000
     10       4.2716     -0.00000
     11       4.8632     -0.00000
     12       5.7199     -0.00000
     13       6.6251     -0.00000
     14       7.3946     -0.00000
     15       7.5326     -0.00000
     16       8.8799      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7252      1.00000
      3      -1.8340      1.00000
      4      -1.8279      1.00000
      5      -0.6897      1.00000
      6      -0.2957      1.00000
      7       1.2412      1.00000
      8       1.9759      1.00000
      9       3.7775     -0.00005
     10       3.9065     -0.00000
     11       4.7141     -0.00000
     12       5.7481     -0.00000
     13       6.3945     -0.00000
     14       6.7531     -0.00000
     15       7.1203     -0.00000
     16       8.7192      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7252      1.00000
      3      -1.8340      1.00000
      4      -1.8279      1.00000
      5      -0.6897      1.00000
      6      -0.2957      1.00000
      7       1.2412      1.00000
      8       1.9759      1.00000
      9       3.7775     -0.00005
     10       3.9065     -0.00000
     11       4.7141     -0.00000
     12       5.7481     -0.00000
     13       6.3945     -0.00000
     14       6.7531     -0.00000
     15       7.1203     -0.00000
     16       8.6951      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7252      1.00000
      3      -1.8340      1.00000
      4      -1.8279      1.00000
      5      -0.6897      1.00000
      6      -0.2957      1.00000
      7       1.2412      1.00000
      8       1.9759      1.00000
      9       3.7775     -0.00005
     10       3.9065     -0.00000
     11       4.7141     -0.00000
     12       5.7481     -0.00000
     13       6.3945     -0.00000
     14       6.7531     -0.00000
     15       7.1203     -0.00000
     16       8.7448      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2541      1.00000
      2      -4.3388      1.00000
      3      -2.9455      1.00000
      4      -1.0835      1.00000
      5       1.1547      1.00000
      6       2.0931      1.00000
      7       2.2552      1.00000
      8       2.9754      1.00945
      9       3.4296     -0.03237
     10       4.2208     -0.00000
     11       4.4846     -0.00000
     12       4.8489     -0.00000
     13       6.2117     -0.00000
     14       6.8539     -0.00000
     15       7.2624     -0.00000
     16       8.7010      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2541      1.00000
      2      -4.3388      1.00000
      3      -2.9455      1.00000
      4      -1.0835      1.00000
      5       1.1547      1.00000
      6       2.0931      1.00000
      7       2.2552      1.00000
      8       2.9754      1.00945
      9       3.4296     -0.03236
     10       4.2208     -0.00000
     11       4.4846     -0.00000
     12       4.8489     -0.00000
     13       6.2117     -0.00000
     14       6.8540     -0.00000
     15       7.2625     -0.00000
     16       8.6963      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2541      1.00000
      2      -4.3388      1.00000
      3      -2.9455      1.00000
      4      -1.0835      1.00000
      5       1.1547      1.00000
      6       2.0931      1.00000
      7       2.2552      1.00000
      8       2.9754      1.00945
      9       3.4296     -0.03237
     10       4.2208     -0.00000
     11       4.4846     -0.00000
     12       4.8489     -0.00000
     13       6.2117     -0.00000
     14       6.8539     -0.00000
     15       7.2624     -0.00000
     16       8.7005      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1700      1.00000
      6       0.8186      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39251
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2480     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1700      1.00000
      6       0.8186      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39244
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2902     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1700      1.00000
      6       0.8186      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39253
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2793     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1700      1.00000
      6       0.8186      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39253
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.3460     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1700      1.00000
      6       0.8186      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39248
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.2712     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1561      1.00000
      2      -2.2449      1.00000
      3      -0.8856      1.00000
      4      -0.6554      1.00000
      5       0.1700      1.00000
      6       0.8186      1.00000
      7       1.7499      1.00000
      8       1.8265      1.00000
      9       2.5440      1.00007
     10       3.1792      0.39247
     11       4.1364     -0.00000
     12       4.6564     -0.00000
     13       6.0502     -0.00000
     14       6.1549     -0.00000
     15       6.3737     -0.00000
     16       8.3252     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8856      1.00000
      2      -0.8663      1.00000
      3      -0.8423      1.00000
      4      -0.0329      1.00000
      5       0.0349      1.00000
      6       0.0488      1.00000
      7       1.0806      1.00000
      8       1.0881      1.00000
      9       1.7876      1.00000
     10       2.6818      1.00214
     11       4.0871     -0.00000
     12       4.1108     -0.00000
     13       5.9841     -0.00000
     14       6.0046     -0.00000
     15       6.0652     -0.00000
     16       8.0205     -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
115.812 -61.858  -0.000  -0.086  -0.000   0.000  -0.022   0.000
-61.858  33.040   0.000   0.036   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.086   0.036  -0.000   1.741  -0.000   0.000  -0.267   0.000
 -0.000   0.000  -0.000  -0.000   2.074   0.000   0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.022   0.013   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
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   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      0.0019
    FORHF :  cpu time    421.3532: real time    424.3296
    FORNL :  cpu time      0.5019: real time      0.5070
    FORCOR:  cpu time      1.9666: real time      1.9775
    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
 -----------------------------------------------------------------------------------------------
   0.240E-05 0.507E-05 0.183E+03   0.438E-13 0.277E-13 -.182E+03   -.243E-05 -.546E-05 -.125E+01
   0.114E-05 -.784E-07 0.913E+02   0.511E-15 0.657E-15 -.914E+02   -.129E-05 -.589E-06 0.182E+00
   -.135E-05 -.174E-05 -.234E+00   -.148E-12 -.761E-13 0.256E+00   0.120E-05 -.180E-06 -.552E-01
   0.333E-05 -.153E-04 -.925E+02   0.136E-12 0.731E-13 0.924E+02   0.469E-06 0.164E-04 0.106E+00
   0.886E-05 -.171E-05 -.181E+03   -.423E-13 -.222E-13 0.180E+03   -.635E-05 0.109E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.131E-04 -.153E-04 -.260E-01   -.971E-14 0.313E-14 0.000E+00   -.839E-05 0.113E-04 0.231E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001      0.000000     -0.123139
      0.00000      0.00000      2.33311        -0.000001     -0.000000      0.125135
      1.42873      0.82488      4.66194        -0.000002     -0.000002     -0.031104
      2.85746      1.64976      6.97842         0.000003      0.000002      0.005218
      0.00000      0.00000      9.35535         0.000001     -0.000000      0.023890
 -----------------------------------------------------------------------------------
    total drift:                                0.000005     -0.000004     -0.001758


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90189252 eV

  energy  without entropy=      -13.89635130  energy(sigma->0) =      -13.90004544
 
 d Force = 0.2140772E-03[ 0.161E-03, 0.267E-03]  d Energy = 0.2453477E-03-0.313E-04
 d Force = 0.5380266E+00[ 0.537E+00, 0.539E+00]  d Ewald  = 0.5380268E+00-0.174E-06


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


    POTLOK:  cpu time      1.9686: real time      1.9798


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.755E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.1716
 eigenvalue spectrum of G is  4.1716


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


    WAVPRE:  cpu time      0.0060: real time      0.0759
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0847
    POTLOK:  cpu time      1.9678: real time      1.9790
    EDDIAG:  cpu time    590.5640: real time    595.3827
    CHARGE:  cpu time      0.2640: real time      0.2660
 writing wavefunctions
     LOOP+:  cpu time   8080.1625: real time   8147.5415


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


    POTLOK:  cpu time      0.7252: real time      0.7307
    SETDIJ:  cpu time      1.2472: real time      1.2523
    TRIAL :  cpu time    585.4321: real time    590.3089
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    587.6838: real time    592.5741

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4925948E-04  (-0.8316364E-04)
 number of electron      15.0000000 magnetization      -0.0000184
 augmentation part       -0.0008466 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.05651944
  -Hartree energ DENC   =      -702.03608410
  -exchange      EXHF   =        33.27622648
  -V(xc)+E(xc)   XCENC  =       -83.54494166
  PAW double counting   =    100943.66121006  -100842.70306905
  entropy T*S    EENTRO =        -0.00557085
  eigenvalues    EBANDS =       -35.18750837
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90183998 eV

  energy without entropy =      -13.89626912  energy(sigma->0) =      -13.89998303
  exchange ACFDT corr.  =        -0.00544545  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7256: real time      0.7310
    SETDIJ:  cpu time      1.2495: real time      1.2547
    TRIAL :  cpu time    587.2916: real time    592.1307
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    589.5360: real time    594.3877

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6175724E-04  (-0.5785161E-04)
 number of electron      15.0000000 magnetization      -0.0000182
 augmentation part       -0.0008450 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.05651944
  -Hartree energ DENC   =      -701.89854821
  -exchange      EXHF   =        33.27552506
  -V(xc)+E(xc)   XCENC  =       -83.54519304
  PAW double counting   =    100943.62578314  -100842.66762519
  entropy T*S    EENTRO =        -0.00557015
  eigenvalues    EBANDS =       -35.32417633
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90190173 eV

  energy without entropy =      -13.89633158  energy(sigma->0) =      -13.90004502
  exchange ACFDT corr.  =        -0.00543751  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7243: real time      0.7297
    SETDIJ:  cpu time      1.2500: real time      1.2553
    TRIAL :  cpu time    584.2330: real time    589.0782
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    586.4776: real time    591.3356

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4157810E-04  (-0.3194712E-04)
 number of electron      15.0000000 magnetization      -0.0000180
 augmentation part       -0.0008445 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.05651944
  -Hartree energ DENC   =      -701.83542955
  -exchange      EXHF   =        33.27499461
  -V(xc)+E(xc)   XCENC  =       -83.54538105
  PAW double counting   =    100945.63796383  -100844.67981598
  entropy T*S    EENTRO =        -0.00557316
  eigenvalues    EBANDS =       -35.38660870
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90194331 eV

  energy without entropy =      -13.89637015  energy(sigma->0) =      -13.90008559
  exchange ACFDT corr.  =        -0.00543411  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2496: real time      1.2548
    TRIAL :  cpu time    583.7235: real time    588.5867
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    585.9684: real time    590.8443

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2234791E-04  (-0.1533184E-04)
 number of electron      15.0000000 magnetization      -0.0000176
 augmentation part       -0.0008449 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.05651944
  -Hartree energ DENC   =      -701.86425662
  -exchange      EXHF   =        33.27488172
  -V(xc)+E(xc)   XCENC  =       -83.54542442
  PAW double counting   =    100948.85614225  -100847.89802308
  entropy T*S    EENTRO =        -0.00557312
  eigenvalues    EBANDS =       -35.35761604
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90196566 eV

  energy without entropy =      -13.89639254  energy(sigma->0) =      -13.90010795
  exchange ACFDT corr.  =        -0.00543511  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7246: real time      0.7301
    SETDIJ:  cpu time      1.2452: real time      1.2508
    TRIAL :  cpu time    583.5014: real time    588.3730
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    585.7413: real time    590.6259

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1096596E-04  (-0.9313718E-05)
 number of electron      15.0000000 magnetization      -0.0000171
 augmentation part       -0.0008453 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.05651944
  -Hartree energ DENC   =      -701.89058806
  -exchange      EXHF   =        33.27494988
  -V(xc)+E(xc)   XCENC  =       -83.54540606
  PAW double counting   =    100951.77726732  -100850.81916599
  entropy T*S    EENTRO =        -0.00556961
  eigenvalues    EBANDS =       -35.33136428
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90197663 eV

  energy without entropy =      -13.89640701  energy(sigma->0) =      -13.90012009
  exchange ACFDT corr.  =        -0.00543494  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      5(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7246: real time      0.7304
    SETDIJ:  cpu time      1.2489: real time      1.2541
    TRIAL :  cpu time    586.6934: real time    591.5509
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.5656: real time    594.3781
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time   1178.5032: real time   1188.1863

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6844697E-05  (-0.4418668E-05)
 number of electron      15.0000000 magnetization      -0.0000166
 augmentation part       -0.0008451 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.05651944
  -Hartree energ DENC   =      -701.88270709
  -exchange      EXHF   =        33.27507806
  -V(xc)+E(xc)   XCENC  =       -83.54538906
  PAW double counting   =    100954.37353507  -100853.41544861
  entropy T*S    EENTRO =        -0.00556639
  eigenvalues    EBANDS =       -35.33932287
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90198347 eV

  energy without entropy =      -13.89641708  energy(sigma->0) =      -13.90012801
  exchange ACFDT corr.  =        -0.00543289  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9753


 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 -69.7744       3 -69.7773       4 -69.7836       5 -69.9096
 
 
 
 E-fermi :   3.1536     XC(G=0):  -5.1188     alpha+bet : -8.9779

 Fermi energy:         3.1536086694

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8957      1.00000
      2      -9.9982      1.00000
      3      -8.6265      1.00000
      4      -6.7585      1.00000
      5      -4.3283      1.00000
      6      -1.5888      1.00000
      7       1.6298      1.00000
      8       4.6369     -0.00000
      9       5.4133     -0.00000
     10       7.9291     -0.00000
     11       7.9938     -0.00000
     12      11.8932      0.00000
     13      12.1880      0.00000
     14      16.0648      0.00000
     15      16.2559      0.00000
     16      16.4670      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6872      1.00000
      2      -9.7892      1.00000
      3      -8.4164      1.00000
      4      -6.5466      1.00000
      5      -4.1123      1.00000
      6      -1.3787      1.00000
      7       1.8433      1.00000
      8       4.8197     -0.00000
      9       5.5877     -0.00000
     10       8.0970     -0.00000
     11       8.1587     -0.00000
     12      12.0209      0.00000
     13      12.2838      0.00000
     14      13.1169      0.00000
     15      13.8613      0.00000
     16      14.3729      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6872      1.00000
      2      -9.7892      1.00000
      3      -8.4164      1.00000
      4      -6.5466      1.00000
      5      -4.1123      1.00000
      6      -1.3787      1.00000
      7       1.8433      1.00000
      8       4.8197     -0.00000
      9       5.5877     -0.00000
     10       8.0970     -0.00000
     11       8.1587     -0.00000
     12      12.0209      0.00000
     13      12.2837      0.00000
     14      13.1169      0.00000
     15      13.8462      0.00000
     16      14.5502      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6872      1.00000
      2      -9.7892      1.00000
      3      -8.4164      1.00000
      4      -6.5466      1.00000
      5      -4.1123      1.00000
      6      -1.3787      1.00000
      7       1.8433      1.00000
      8       4.8197     -0.00000
      9       5.5877     -0.00000
     10       8.0970     -0.00000
     11       8.1587     -0.00000
     12      12.0209      0.00000
     13      12.2838      0.00000
     14      13.1168      0.00000
     15      13.8475      0.00000
     16      14.3690      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0618      1.00000
      2      -9.1618      1.00000
      3      -7.7858      1.00000
      4      -5.9111      1.00000
      5      -3.4656      1.00000
      6      -0.7496      1.00000
      7       2.4693      1.00001
      8       5.3510     -0.00000
      9       6.1055     -0.00000
     10       8.4808     -0.00000
     11       8.6299      0.00000
     12       9.7269      0.00000
     13      10.2638      0.00000
     14      11.3699      0.00000
     15      12.5070      0.00000
     16      12.7761      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0618      1.00000
      2      -9.1618      1.00000
      3      -7.7858      1.00000
      4      -5.9111      1.00000
      5      -3.4656      1.00000
      6      -0.7496      1.00000
      7       2.4693      1.00001
      8       5.3510     -0.00000
      9       6.1055     -0.00000
     10       8.4808     -0.00000
     11       8.6299      0.00000
     12       9.7269      0.00000
     13      10.2638      0.00000
     14      11.3699      0.00000
     15      12.5117      0.00000
     16      12.8192      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0618      1.00000
      2      -9.1618      1.00000
      3      -7.7858      1.00000
      4      -5.9111      1.00000
      5      -3.4656      1.00000
      6      -0.7496      1.00000
      7       2.4693      1.00001
      8       5.3510     -0.00000
      9       6.1055     -0.00000
     10       8.4808     -0.00000
     11       8.6299      0.00000
     12       9.7269      0.00000
     13      10.2639      0.00000
     14      11.3699      0.00000
     15      12.5120      0.00000
     16      12.8921      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0187      1.00000
      2      -8.1153      1.00000
      3      -6.7337      1.00000
      4      -4.8520      1.00000
      5      -2.3939      1.00000
      6       0.2878      1.00000
      7       3.4253     -0.03308
      8       5.6438     -0.00000
      9       6.5453     -0.00000
     10       6.8590     -0.00000
     11       7.0519     -0.00000
     12       8.0579     -0.00000
     13       9.4049      0.00000
     14       9.5836      0.00000
     15       9.8073      0.00000
     16      11.5947      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0187      1.00000
      2      -8.1153      1.00000
      3      -6.7337      1.00000
      4      -4.8520      1.00000
      5      -2.3939      1.00000
      6       0.2878      1.00000
      7       3.4253     -0.03308
      8       5.6438     -0.00000
      9       6.5453     -0.00000
     10       6.8590     -0.00000
     11       7.0519     -0.00000
     12       8.0579     -0.00000
     13       9.4049      0.00000
     14       9.5836      0.00000
     15       9.8073      0.00000
     16      11.6068      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0187      1.00000
      2      -8.1153      1.00000
      3      -6.7337      1.00000
      4      -4.8520      1.00000
      5      -2.3939      1.00000
      6       0.2878      1.00000
      7       3.4253     -0.03308
      8       5.6438     -0.00000
      9       6.5453     -0.00000
     10       6.8590     -0.00000
     11       7.0519     -0.00000
     12       8.0579     -0.00000
     13       9.4049      0.00000
     14       9.5836      0.00000
     15       9.8073      0.00000
     16      11.6504      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5560      1.00000
      2      -6.6471      1.00000
      3      -5.2586      1.00000
      4      -3.3731      1.00000
      5      -0.9284      1.00000
      6       1.5759      1.00000
      7       2.5427      1.00007
      8       3.5160     -0.01380
      9       4.7948     -0.00000
     10       5.1403     -0.00000
     11       6.5246     -0.00000
     12       7.6581     -0.00000
     13       8.2143     -0.00000
     14       8.7164      0.00000
     15      10.5202      0.00000
     16      10.8359      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5560      1.00000
      2      -6.6471      1.00000
      3      -5.2586      1.00000
      4      -3.3731      1.00000
      5      -0.9284      1.00000
      6       1.5759      1.00000
      7       2.5427      1.00007
      8       3.5160     -0.01380
      9       4.7948     -0.00000
     10       5.1403     -0.00000
     11       6.5246     -0.00000
     12       7.6581     -0.00000
     13       8.2143     -0.00000
     14       8.7164      0.00000
     15      10.5212      0.00000
     16      10.8355      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5560      1.00000
      2      -6.6471      1.00000
      3      -5.2586      1.00000
      4      -3.3731      1.00000
      5      -0.9284      1.00000
      6       1.5759      1.00000
      7       2.5427      1.00007
      8       3.5160     -0.01380
      9       4.7948     -0.00000
     10       5.1403     -0.00000
     11       6.5246     -0.00000
     12       7.6581     -0.00000
     13       8.2143     -0.00000
     14       8.7164      0.00000
     15      10.5202      0.00000
     16      10.8342      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6699      1.00000
      2      -4.7547      1.00000
      3      -3.3653      1.00000
      4      -1.5208      1.00000
      5      -0.6725      1.00000
      6       0.1092      1.00000
      7       1.1142      1.00000
      8       2.0129      1.00000
      9       3.6486     -0.00128
     10       3.7451     -0.00012
     11       5.9391     -0.00000
     12       6.7163     -0.00000
     13       8.2362     -0.00000
     14       9.2026      0.00000
     15       9.7541      0.00000
     16      10.6410      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6699      1.00000
      2      -4.7547      1.00000
      3      -3.3653      1.00000
      4      -1.5208      1.00000
      5      -0.6725      1.00000
      6       0.1092      1.00000
      7       1.1142      1.00000
      8       2.0129      1.00000
      9       3.6486     -0.00128
     10       3.7451     -0.00012
     11       5.9391     -0.00000
     12       6.7163     -0.00000
     13       8.2362     -0.00000
     14       9.2014      0.00000
     15       9.7540      0.00000
     16      10.4116      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6699      1.00000
      2      -4.7547      1.00000
      3      -3.3653      1.00000
      4      -1.5208      1.00000
      5      -0.6725      1.00000
      6       0.1092      1.00000
      7       1.1142      1.00000
      8       2.0129      1.00000
      9       3.6486     -0.00128
     10       3.7451     -0.00012
     11       5.9391     -0.00000
     12       6.7163     -0.00000
     13       8.2362     -0.00000
     14       9.2016      0.00000
     15       9.7539      0.00000
     16      10.5006      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3719      1.00000
      2      -3.3497      1.00000
      3      -2.4592      1.00000
      4      -2.4438      1.00000
      5      -1.3031      1.00000
      6      -0.9084      1.00000
      7       0.6398      1.00000
      8       1.3835      1.00000
      9       3.3911     -0.03527
     10       3.5309     -0.01123
     11       5.6762     -0.00000
     12       6.0186     -0.00000
     13       8.4149     -0.00000
     14       8.8674      0.00000
     15      10.2804      0.00000
     16      10.5493      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3719      1.00000
      2      -3.3497      1.00000
      3      -2.4592      1.00000
      4      -2.4438      1.00000
      5      -1.3031      1.00000
      6      -0.9084      1.00000
      7       0.6398      1.00000
      8       1.3835      1.00000
      9       3.3911     -0.03527
     10       3.5309     -0.01123
     11       5.6762     -0.00000
     12       6.0186     -0.00000
     13       8.4149     -0.00000
     14       8.8673      0.00000
     15      10.2749      0.00000
     16      10.6496      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3719      1.00000
      2      -3.3497      1.00000
      3      -2.4592      1.00000
      4      -2.4438      1.00000
      5      -1.3031      1.00000
      6      -0.9084      1.00000
      7       0.6398      1.00000
      8       1.3835      1.00000
      9       3.3911     -0.03527
     10       3.5309     -0.01123
     11       5.6762     -0.00000
     12       6.0186     -0.00000
     13       8.4149     -0.00000
     14       8.8673      0.00000
     15      10.2398      0.00000
     16      10.5522      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2703      1.00000
      2      -9.3710      1.00000
      3      -7.9960      1.00000
      4      -6.1230      1.00000
      5      -3.6809      1.00000
      6      -0.9590      1.00000
      7       2.2635      1.00000
      8       5.1786     -0.00000
      9       5.9343     -0.00000
     10       8.4215     -0.00000
     11       8.4667     -0.00000
     12      11.4267      0.00000
     13      11.4453      0.00000
     14      11.8836      0.00000
     15      12.0098      0.00000
     16      12.6748      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2703      1.00000
      2      -9.3710      1.00000
      3      -7.9960      1.00000
      4      -6.1230      1.00000
      5      -3.6809      1.00000
      6      -0.9590      1.00000
      7       2.2635      1.00000
      8       5.1786     -0.00000
      9       5.9343     -0.00000
     10       8.4215     -0.00000
     11       8.4667     -0.00000
     12      11.4258      0.00000
     13      11.4576      0.00000
     14      11.8864      0.00000
     15      12.0067      0.00000
     16      12.7000      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2703      1.00000
      2      -9.3710      1.00000
      3      -7.9960      1.00000
      4      -6.1230      1.00000
      5      -3.6809      1.00000
      6      -0.9590      1.00000
      7       2.2635      1.00000
      8       5.1786     -0.00000
      9       5.9343     -0.00000
     10       8.4215     -0.00000
     11       8.4667     -0.00000
     12      11.4263      0.00000
     13      11.4412      0.00000
     14      11.8883      0.00000
     15      12.0156      0.00000
     16      12.6696      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1240      1.00000
      7       3.0683      0.82512
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1792      0.00000
     16      10.7130      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1240      1.00000
      7       3.0683      0.82512
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8286      0.00000
     15      10.1786      0.00000
     16      10.7113      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1240      1.00000
      7       3.0683      0.82512
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1790      0.00000
     16      10.7140      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1240      1.00000
      7       3.0683      0.82512
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1789      0.00000
     16      10.7115      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1240      1.00000
      7       3.0683      0.82512
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1797      0.00000
     16      10.7136      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1240      1.00000
      7       3.0683      0.82512
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8288      0.00000
     15      10.1788      0.00000
     16      10.7103      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1834      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5037     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.8980      0.00000
     15       9.6115      0.00000
     16      10.2191      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1834      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5037     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9025      0.00000
     15       9.6588      0.00000
     16      10.1228      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1834      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5037     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9061      0.00000
     15       9.6377      0.00000
     16      10.2739      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1834      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5037     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9225      0.00000
     15       9.6069      0.00000
     16      10.2690      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1834      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9005      0.00000
     15       9.6012      0.00000
     16      10.1673      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1834      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5037     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9066      0.00000
     15      10.0067      0.00000
     16      10.2473      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99955
      9       3.5170     -0.01365
     10       5.1955     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9789     -0.00000
     14       8.6596      0.00000
     15       9.1025      0.00000
     16       9.1276      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99955
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9794     -0.00000
     14       8.6576      0.00000
     15       9.1026      0.00000
     16       9.1269      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99955
      9       3.5170     -0.01365
     10       5.1955     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9792     -0.00000
     14       8.6550      0.00000
     15       9.1025      0.00000
     16       9.1191      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99955
      9       3.5170     -0.01365
     10       5.1955     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9789     -0.00000
     14       8.6556      0.00000
     15       9.1027      0.00000
     16       9.1232      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99955
      9       3.5170     -0.01365
     10       5.1955     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9789     -0.00000
     14       8.6599      0.00000
     15       9.1030      0.00000
     16       9.1326      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99955
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9790     -0.00000
     14       8.6557      0.00000
     15       9.1046      0.00000
     16       9.1200      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4903     -0.00000
     14       8.0164     -0.00000
     15       8.8336      0.00000
     16       9.7106      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4903     -0.00000
     14       8.0164     -0.00000
     15       8.8333      0.00000
     16       9.7438      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8481      0.00000
     16       9.8048      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8333      0.00000
     16       9.7067      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4903     -0.00000
     14       8.0166     -0.00000
     15       8.8341      0.00000
     16       9.7026      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8371      0.00000
     16       9.7817      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3925      1.00000
      2      -7.4867      1.00000
      3      -6.1019      1.00000
      4      -4.2170      1.00000
      5      -1.7563      1.00000
      6       0.9019      1.00000
      7       3.9645     -0.00000
      8       6.0165     -0.00000
      9       6.4900     -0.00000
     10       7.2211     -0.00000
     11       7.3196     -0.00000
     12       7.4788     -0.00000
     13       7.6020     -0.00000
     14       8.3708     -0.00000
     15       8.7729      0.00000
     16      10.0705      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3925      1.00000
      2      -7.4867      1.00000
      3      -6.1019      1.00000
      4      -4.2170      1.00000
      5      -1.7563      1.00000
      6       0.9019      1.00000
      7       3.9645     -0.00000
      8       6.0165     -0.00000
      9       6.4900     -0.00000
     10       7.2211     -0.00000
     11       7.3196     -0.00000
     12       7.4788     -0.00000
     13       7.6020     -0.00000
     14       8.3700     -0.00000
     15       8.7376      0.00000
     16      10.0666      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3925      1.00000
      2      -7.4867      1.00000
      3      -6.1019      1.00000
      4      -4.2170      1.00000
      5      -1.7563      1.00000
      6       0.9019      1.00000
      7       3.9645     -0.00000
      8       6.0165     -0.00000
      9       6.4900     -0.00000
     10       7.2211     -0.00000
     11       7.3196     -0.00000
     12       7.4788     -0.00000
     13       7.6020     -0.00000
     14       8.3690     -0.00000
     15       8.7371      0.00000
     16      10.0558      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59230
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9048     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4209     -0.00000
     16       8.7585      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59229
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9048     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4215     -0.00000
     16       8.7620      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59230
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9048     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4223     -0.00000
     16       8.7596      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59230
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9048     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4237     -0.00000
     16       8.7594      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59230
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9048     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7598     -0.00000
     15       8.4205     -0.00000
     16       8.7620      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59229
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9048     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4213     -0.00000
     16       8.7581      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3945     -0.00000
     15       7.5311     -0.00000
     16       8.8512      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5311     -0.00000
     16       8.8524      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5311     -0.00000
     16       8.8517      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5311     -0.00000
     16       8.8753      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5312     -0.00000
     16       8.8829      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5312     -0.00000
     16       8.8928      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7238      1.00000
      3      -1.8320      1.00000
      4      -1.8255      1.00000
      5      -0.6890      1.00000
      6      -0.2954      1.00000
      7       1.2401      1.00000
      8       1.9749      1.00000
      9       3.7770     -0.00005
     10       3.9061     -0.00000
     11       4.7151     -0.00000
     12       5.7489     -0.00000
     13       6.3941     -0.00000
     14       6.7533     -0.00000
     15       7.1203     -0.00000
     16       8.8332      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7238      1.00000
      3      -1.8320      1.00000
      4      -1.8255      1.00000
      5      -0.6890      1.00000
      6      -0.2954      1.00000
      7       1.2401      1.00000
      8       1.9749      1.00000
      9       3.7770     -0.00005
     10       3.9061     -0.00000
     11       4.7151     -0.00000
     12       5.7489     -0.00000
     13       6.3941     -0.00000
     14       6.7533     -0.00000
     15       7.1203     -0.00000
     16       8.7741      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7238      1.00000
      3      -1.8320      1.00000
      4      -1.8255      1.00000
      5      -0.6890      1.00000
      6      -0.2954      1.00000
      7       1.2401      1.00000
      8       1.9749      1.00000
      9       3.7770     -0.00005
     10       3.9061     -0.00000
     11       4.7151     -0.00000
     12       5.7489     -0.00000
     13       6.3941     -0.00000
     14       6.7533     -0.00000
     15       7.1203     -0.00000
     16       8.7667      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2526      1.00000
      2      -4.3367      1.00000
      3      -2.9451      1.00000
      4      -1.0845      1.00000
      5       1.1542      1.00000
      6       2.0948      1.00000
      7       2.2565      1.00000
      8       2.9771      1.00751
      9       3.4315     -0.03194
     10       4.2212     -0.00000
     11       4.4847     -0.00000
     12       4.8490     -0.00000
     13       6.2107     -0.00000
     14       6.8530     -0.00000
     15       7.2607     -0.00000
     16       8.6947      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2526      1.00000
      2      -4.3367      1.00000
      3      -2.9451      1.00000
      4      -1.0845      1.00000
      5       1.1542      1.00000
      6       2.0948      1.00000
      7       2.2565      1.00000
      8       2.9771      1.00751
      9       3.4315     -0.03194
     10       4.2212     -0.00000
     11       4.4847     -0.00000
     12       4.8490     -0.00000
     13       6.2107     -0.00000
     14       6.8531     -0.00000
     15       7.2607     -0.00000
     16       8.7094      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2526      1.00000
      2      -4.3367      1.00000
      3      -2.9451      1.00000
      4      -1.0845      1.00000
      5       1.1542      1.00000
      6       2.0948      1.00000
      7       2.2565      1.00000
      8       2.9771      1.00751
      9       3.4315     -0.03194
     10       4.2212     -0.00000
     11       4.4847     -0.00000
     12       4.8490     -0.00000
     13       6.2107     -0.00000
     14       6.8530     -0.00000
     15       7.2607     -0.00000
     16       8.7110      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39228
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.2317     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39234
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.3073     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39228
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.2524     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39228
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.2602     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39231
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.2471     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39231
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.4325     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8829      1.00000
      2      -0.8655      1.00000
      3      -0.8408      1.00000
      4      -0.0311      1.00000
      5       0.0382      1.00000
      6       0.0507      1.00000
      7       1.0810      1.00000
      8       1.0890      1.00000
      9       1.7874      1.00000
     10       2.6808      1.00211
     11       4.0826     -0.00000
     12       4.1129     -0.00000
     13       5.9810     -0.00000
     14       6.0053     -0.00000
     15       6.0645     -0.00000
     16       8.0180     -0.00000
 Fermi energy:         3.1536086694

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8957      1.00000
      2      -9.9982      1.00000
      3      -8.6265      1.00000
      4      -6.7585      1.00000
      5      -4.3283      1.00000
      6      -1.5888      1.00000
      7       1.6297      1.00000
      8       4.6369     -0.00000
      9       5.4133     -0.00000
     10       7.9291     -0.00000
     11       7.9938     -0.00000
     12      11.8931      0.00000
     13      12.1879      0.00000
     14      16.0678      0.00000
     15      16.3793      0.00000
     16      16.6456      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6872      1.00000
      2      -9.7892      1.00000
      3      -8.4164      1.00000
      4      -6.5466      1.00000
      5      -4.1123      1.00000
      6      -1.3787      1.00000
      7       1.8433      1.00000
      8       4.8197     -0.00000
      9       5.5877     -0.00000
     10       8.0970     -0.00000
     11       8.1587     -0.00000
     12      12.0209      0.00000
     13      12.2837      0.00000
     14      13.1168      0.00000
     15      13.8466      0.00000
     16      14.3342      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6872      1.00000
      2      -9.7892      1.00000
      3      -8.4164      1.00000
      4      -6.5466      1.00000
      5      -4.1123      1.00000
      6      -1.3787      1.00000
      7       1.8433      1.00000
      8       4.8197     -0.00000
      9       5.5877     -0.00000
     10       8.0970     -0.00000
     11       8.1587     -0.00000
     12      12.0209      0.00000
     13      12.2837      0.00000
     14      13.1168      0.00000
     15      13.8463      0.00000
     16      14.3255      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6872      1.00000
      2      -9.7892      1.00000
      3      -8.4164      1.00000
      4      -6.5466      1.00000
      5      -4.1123      1.00000
      6      -1.3787      1.00000
      7       1.8433      1.00000
      8       4.8197     -0.00000
      9       5.5877     -0.00000
     10       8.0970     -0.00000
     11       8.1587     -0.00000
     12      12.0209      0.00000
     13      12.2837      0.00000
     14      13.1169      0.00000
     15      13.8518      0.00000
     16      14.3561      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0618      1.00000
      2      -9.1619      1.00000
      3      -7.7858      1.00000
      4      -5.9111      1.00000
      5      -3.4656      1.00000
      6      -0.7496      1.00000
      7       2.4693      1.00001
      8       5.3510     -0.00000
      9       6.1055     -0.00000
     10       8.4808     -0.00000
     11       8.6299      0.00000
     12       9.7269      0.00000
     13      10.2638      0.00000
     14      11.3699      0.00000
     15      12.5190      0.00000
     16      12.9027      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0618      1.00000
      2      -9.1619      1.00000
      3      -7.7858      1.00000
      4      -5.9111      1.00000
      5      -3.4656      1.00000
      6      -0.7496      1.00000
      7       2.4693      1.00001
      8       5.3510     -0.00000
      9       6.1055     -0.00000
     10       8.4808     -0.00000
     11       8.6299      0.00000
     12       9.7269      0.00000
     13      10.2638      0.00000
     14      11.3699      0.00000
     15      12.5074      0.00000
     16      12.7744      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0618      1.00000
      2      -9.1619      1.00000
      3      -7.7858      1.00000
      4      -5.9111      1.00000
      5      -3.4656      1.00000
      6      -0.7496      1.00000
      7       2.4693      1.00001
      8       5.3510     -0.00000
      9       6.1055     -0.00000
     10       8.4808     -0.00000
     11       8.6299      0.00000
     12       9.7269      0.00000
     13      10.2638      0.00000
     14      11.3699      0.00000
     15      12.5130      0.00000
     16      12.8413      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0187      1.00000
      2      -8.1153      1.00000
      3      -6.7337      1.00000
      4      -4.8520      1.00000
      5      -2.3939      1.00000
      6       0.2878      1.00000
      7       3.4253     -0.03308
      8       5.6438     -0.00000
      9       6.5453     -0.00000
     10       6.8589     -0.00000
     11       7.0519     -0.00000
     12       8.0579     -0.00000
     13       9.4049      0.00000
     14       9.5836      0.00000
     15       9.8073      0.00000
     16      11.5976      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0187      1.00000
      2      -8.1153      1.00000
      3      -6.7337      1.00000
      4      -4.8520      1.00000
      5      -2.3939      1.00000
      6       0.2878      1.00000
      7       3.4253     -0.03308
      8       5.6438     -0.00000
      9       6.5453     -0.00000
     10       6.8589     -0.00000
     11       7.0519     -0.00000
     12       8.0579     -0.00000
     13       9.4050      0.00000
     14       9.5836      0.00000
     15       9.8073      0.00000
     16      11.6287      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0187      1.00000
      2      -8.1153      1.00000
      3      -6.7337      1.00000
      4      -4.8520      1.00000
      5      -2.3939      1.00000
      6       0.2878      1.00000
      7       3.4253     -0.03308
      8       5.6438     -0.00000
      9       6.5453     -0.00000
     10       6.8589     -0.00000
     11       7.0519     -0.00000
     12       8.0579     -0.00000
     13       9.4049      0.00000
     14       9.5836      0.00000
     15       9.8072      0.00000
     16      11.6090      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5560      1.00000
      2      -6.6471      1.00000
      3      -5.2586      1.00000
      4      -3.3731      1.00000
      5      -0.9284      1.00000
      6       1.5759      1.00000
      7       2.5427      1.00007
      8       3.5160     -0.01380
      9       4.7948     -0.00000
     10       5.1403     -0.00000
     11       6.5246     -0.00000
     12       7.6581     -0.00000
     13       8.2143     -0.00000
     14       8.7164      0.00000
     15      10.5187      0.00000
     16      10.8359      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5560      1.00000
      2      -6.6471      1.00000
      3      -5.2586      1.00000
      4      -3.3731      1.00000
      5      -0.9284      1.00000
      6       1.5759      1.00000
      7       2.5427      1.00007
      8       3.5160     -0.01380
      9       4.7948     -0.00000
     10       5.1403     -0.00000
     11       6.5246     -0.00000
     12       7.6581     -0.00000
     13       8.2143     -0.00000
     14       8.7164      0.00000
     15      10.5234      0.00000
     16      10.8385      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5560      1.00000
      2      -6.6471      1.00000
      3      -5.2586      1.00000
      4      -3.3731      1.00000
      5      -0.9284      1.00000
      6       1.5759      1.00000
      7       2.5427      1.00007
      8       3.5160     -0.01380
      9       4.7948     -0.00000
     10       5.1403     -0.00000
     11       6.5246     -0.00000
     12       7.6581     -0.00000
     13       8.2143     -0.00000
     14       8.7164      0.00000
     15      10.5228      0.00000
     16      10.8424      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6699      1.00000
      2      -4.7547      1.00000
      3      -3.3653      1.00000
      4      -1.5208      1.00000
      5      -0.6725      1.00000
      6       0.1092      1.00000
      7       1.1142      1.00000
      8       2.0129      1.00000
      9       3.6486     -0.00128
     10       3.7451     -0.00012
     11       5.9391     -0.00000
     12       6.7163     -0.00000
     13       8.2362     -0.00000
     14       9.2014      0.00000
     15       9.7538      0.00000
     16      10.5200      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6699      1.00000
      2      -4.7547      1.00000
      3      -3.3653      1.00000
      4      -1.5208      1.00000
      5      -0.6725      1.00000
      6       0.1092      1.00000
      7       1.1142      1.00000
      8       2.0129      1.00000
      9       3.6486     -0.00128
     10       3.7451     -0.00012
     11       5.9391     -0.00000
     12       6.7163     -0.00000
     13       8.2362     -0.00000
     14       9.2016      0.00000
     15       9.7539      0.00000
     16      10.5695      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6699      1.00000
      2      -4.7547      1.00000
      3      -3.3653      1.00000
      4      -1.5208      1.00000
      5      -0.6725      1.00000
      6       0.1092      1.00000
      7       1.1142      1.00000
      8       2.0129      1.00000
      9       3.6486     -0.00128
     10       3.7451     -0.00012
     11       5.9391     -0.00000
     12       6.7163     -0.00000
     13       8.2362     -0.00000
     14       9.2015      0.00000
     15       9.7543      0.00000
     16      10.5729      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3719      1.00000
      2      -3.3497      1.00000
      3      -2.4592      1.00000
      4      -2.4439      1.00000
      5      -1.3031      1.00000
      6      -0.9084      1.00000
      7       0.6398      1.00000
      8       1.3835      1.00000
      9       3.3911     -0.03527
     10       3.5309     -0.01123
     11       5.6762     -0.00000
     12       6.0186     -0.00000
     13       8.4149     -0.00000
     14       8.8675      0.00000
     15      10.4413      0.00000
     16      10.8756      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3719      1.00000
      2      -3.3497      1.00000
      3      -2.4592      1.00000
      4      -2.4439      1.00000
      5      -1.3031      1.00000
      6      -0.9084      1.00000
      7       0.6398      1.00000
      8       1.3835      1.00000
      9       3.3911     -0.03527
     10       3.5309     -0.01123
     11       5.6762     -0.00000
     12       6.0186     -0.00000
     13       8.4149     -0.00000
     14       8.8673      0.00000
     15      10.2921      0.00000
     16      10.5749      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3719      1.00000
      2      -3.3497      1.00000
      3      -2.4592      1.00000
      4      -2.4439      1.00000
      5      -1.3031      1.00000
      6      -0.9084      1.00000
      7       0.6398      1.00000
      8       1.3835      1.00000
      9       3.3911     -0.03527
     10       3.5309     -0.01123
     11       5.6762     -0.00000
     12       6.0186     -0.00000
     13       8.4149     -0.00000
     14       8.8674      0.00000
     15      10.5423      0.00000
     16      11.2402      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2703      1.00000
      2      -9.3710      1.00000
      3      -7.9960      1.00000
      4      -6.1230      1.00000
      5      -3.6810      1.00000
      6      -0.9590      1.00000
      7       2.2635      1.00000
      8       5.1785     -0.00000
      9       5.9343     -0.00000
     10       8.4215     -0.00000
     11       8.4667     -0.00000
     12      11.4258      0.00000
     13      11.4417      0.00000
     14      11.8836      0.00000
     15      12.0158      0.00000
     16      12.6683      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2703      1.00000
      2      -9.3710      1.00000
      3      -7.9960      1.00000
      4      -6.1230      1.00000
      5      -3.6810      1.00000
      6      -0.9590      1.00000
      7       2.2635      1.00000
      8       5.1785     -0.00000
      9       5.9343     -0.00000
     10       8.4215     -0.00000
     11       8.4667     -0.00000
     12      11.4260      0.00000
     13      11.4404      0.00000
     14      11.8868      0.00000
     15      12.0176      0.00000
     16      12.6510      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2703      1.00000
      2      -9.3710      1.00000
      3      -7.9960      1.00000
      4      -6.1230      1.00000
      5      -3.6810      1.00000
      6      -0.9590      1.00000
      7       2.2635      1.00000
      8       5.1785     -0.00000
      9       5.9343     -0.00000
     10       8.4215     -0.00000
     11       8.4667     -0.00000
     12      11.4257      0.00000
     13      11.4409      0.00000
     14      11.8799      0.00000
     15      12.0560      0.00000
     16      12.7435      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1241      1.00000
      7       3.0683      0.82518
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1789      0.00000
     16      10.7105      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1241      1.00000
      7       3.0683      0.82518
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1803      0.00000
     16      10.7147      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1241      1.00000
      7       3.0683      0.82518
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1791      0.00000
     16      10.7103      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1241      1.00000
      7       3.0683      0.82518
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8287      0.00000
     15      10.1786      0.00000
     16      10.7105      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1241      1.00000
      7       3.0683      0.82518
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8286      0.00000
     15      10.1791      0.00000
     16      10.7105      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4361      1.00000
      2      -8.5341      1.00000
      3      -7.1547      1.00000
      4      -5.2756      1.00000
      5      -2.8213      1.00000
      6      -0.1241      1.00000
      7       3.0683      0.82518
      8       5.8292     -0.00000
      9       6.6026     -0.00000
     10       7.8551     -0.00000
     11       8.5785     -0.00000
     12       9.0041      0.00000
     13       9.4224      0.00000
     14       9.8286      0.00000
     15      10.1789      0.00000
     16      10.7101      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1835      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9009      0.00000
     15       9.5928      0.00000
     16      10.1230      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1835      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9103      0.00000
     15       9.6106      0.00000
     16      10.2101      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1835      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9115      0.00000
     15       9.5907      0.00000
     16      10.1987      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1835      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.9142      0.00000
     15       9.6047      0.00000
     16      10.2015      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1835      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.8962      0.00000
     15       9.6167      0.00000
     16      10.2816      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1835      1.00000
      2      -7.2769      1.00000
      3      -5.8911      1.00000
      4      -4.0057      1.00000
      5      -1.5467      1.00000
      6       1.0935      1.00000
      7       3.8131     -0.00002
      8       4.6808     -0.00000
      9       5.3971     -0.00000
     10       6.5036     -0.00000
     11       7.0923     -0.00000
     12       7.6984     -0.00000
     13       8.1803     -0.00000
     14       8.8940      0.00000
     15       9.5908      0.00000
     16      10.1922      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99956
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9789     -0.00000
     14       8.6574      0.00000
     15       9.1044      0.00000
     16       9.1317      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99956
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9791     -0.00000
     14       8.6579      0.00000
     15       9.1023      0.00000
     16       9.1265      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99956
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9796     -0.00000
     14       8.6549      0.00000
     15       9.1036      0.00000
     16       9.1229      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99956
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9789     -0.00000
     14       8.6550      0.00000
     15       9.1035      0.00000
     16       9.1228      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99956
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9793     -0.00000
     14       8.6550      0.00000
     15       9.1022      0.00000
     16       9.1196      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5093      1.00000
      2      -5.5966      1.00000
      3      -4.2052      1.00000
      4      -2.3267      1.00000
      5       0.0211      1.00000
      6       0.9951      1.00000
      7       1.9691      1.00000
      8       2.9850      0.99956
      9       3.5170     -0.01365
     10       5.1954     -0.00000
     11       5.9114     -0.00000
     12       7.3304     -0.00000
     13       7.9789     -0.00000
     14       8.6567      0.00000
     15       9.1027      0.00000
     16       9.1223      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8379      0.00000
     16       9.7054      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8331      0.00000
     16       9.7119      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8331      0.00000
     16       9.7175      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8331      0.00000
     16       9.7055      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8336      0.00000
     16       9.7031      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4106      1.00000
      2      -3.4951      1.00000
      3      -2.1223      1.00000
      4      -1.8991      1.00000
      5      -1.0512      1.00000
      6      -0.3622      1.00000
      7       0.6380      1.00000
      8       2.2921      1.00000
      9       2.6684      1.00162
     10       4.7366     -0.00000
     11       4.9087     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0164     -0.00000
     15       8.8332      0.00000
     16       9.7400      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3925      1.00000
      2      -7.4867      1.00000
      3      -6.1019      1.00000
      4      -4.2170      1.00000
      5      -1.7563      1.00000
      6       0.9019      1.00000
      7       3.9645     -0.00000
      8       6.0165     -0.00000
      9       6.4900     -0.00000
     10       7.2211     -0.00000
     11       7.3196     -0.00000
     12       7.4788     -0.00000
     13       7.6020     -0.00000
     14       8.3703     -0.00000
     15       8.7372      0.00000
     16      10.0656      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3925      1.00000
      2      -7.4867      1.00000
      3      -6.1019      1.00000
      4      -4.2170      1.00000
      5      -1.7563      1.00000
      6       0.9019      1.00000
      7       3.9645     -0.00000
      8       6.0165     -0.00000
      9       6.4900     -0.00000
     10       7.2211     -0.00000
     11       7.3196     -0.00000
     12       7.4788     -0.00000
     13       7.6020     -0.00000
     14       8.3700     -0.00000
     15       8.7371      0.00000
     16      10.0631      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3925      1.00000
      2      -7.4867      1.00000
      3      -6.1019      1.00000
      4      -4.2170      1.00000
      5      -1.7563      1.00000
      6       0.9019      1.00000
      7       3.9645     -0.00000
      8       6.0165     -0.00000
      9       6.4900     -0.00000
     10       7.2211     -0.00000
     11       7.3196     -0.00000
     12       7.4788     -0.00000
     13       7.6020     -0.00000
     14       8.3691     -0.00000
     15       8.7374      0.00000
     16      10.0746      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59235
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9047     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4217     -0.00000
     16       8.7583      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59234
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9047     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4233     -0.00000
     16       8.7594      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59234
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9047     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7603     -0.00000
     15       8.4213     -0.00000
     16       8.7614      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59235
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9047     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7597     -0.00000
     15       8.4203     -0.00000
     16       8.7600      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59234
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9047     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4224     -0.00000
     16       8.7582      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9289      1.00000
      2      -6.0177      1.00000
      3      -4.6267      1.00000
      4      -2.7414      1.00000
      5      -0.3085      1.00000
      6       2.1606      1.00000
      7       3.1314      0.59234
      8       4.0907     -0.00000
      9       5.0873     -0.00000
     10       5.3502     -0.00000
     11       5.9047     -0.00000
     12       6.4760     -0.00000
     13       7.0123     -0.00000
     14       7.7596     -0.00000
     15       8.4205     -0.00000
     16       8.7614      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5313     -0.00000
     16       8.8562      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5316     -0.00000
     16       8.8427      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5311     -0.00000
     16       8.8546      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5311     -0.00000
     16       8.8627      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3944     -0.00000
     15       7.5311     -0.00000
     16       8.8703      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0420      1.00000
      2      -4.1259      1.00000
      3      -2.7371      1.00000
      4      -0.9030      1.00000
      5      -0.0560      1.00000
      6       0.7112      1.00000
      7       1.7047      1.00000
      8       2.5843      1.00022
      9       4.0693     -0.00000
     10       4.2710     -0.00000
     11       4.8642     -0.00000
     12       5.7212     -0.00000
     13       6.6247     -0.00000
     14       7.3945     -0.00000
     15       7.5312     -0.00000
     16       8.8792      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7238      1.00000
      3      -1.8320      1.00000
      4      -1.8255      1.00000
      5      -0.6891      1.00000
      6      -0.2954      1.00000
      7       1.2400      1.00000
      8       1.9749      1.00000
      9       3.7770     -0.00005
     10       3.9061     -0.00000
     11       4.7151     -0.00000
     12       5.7489     -0.00000
     13       6.3941     -0.00000
     14       6.7533     -0.00000
     15       7.1203     -0.00000
     16       8.7119      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7238      1.00000
      3      -1.8320      1.00000
      4      -1.8255      1.00000
      5      -0.6891      1.00000
      6      -0.2954      1.00000
      7       1.2400      1.00000
      8       1.9749      1.00000
      9       3.7770     -0.00005
     10       3.9061     -0.00000
     11       4.7151     -0.00000
     12       5.7489     -0.00000
     13       6.3941     -0.00000
     14       6.7533     -0.00000
     15       7.1203     -0.00000
     16       8.6911      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7238      1.00000
      3      -1.8320      1.00000
      4      -1.8255      1.00000
      5      -0.6891      1.00000
      6      -0.2954      1.00000
      7       1.2401      1.00000
      8       1.9749      1.00000
      9       3.7770     -0.00005
     10       3.9061     -0.00000
     11       4.7151     -0.00000
     12       5.7489     -0.00000
     13       6.3941     -0.00000
     14       6.7533     -0.00000
     15       7.1203     -0.00000
     16       8.7360      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2526      1.00000
      2      -4.3367      1.00000
      3      -2.9451      1.00000
      4      -1.0845      1.00000
      5       1.1542      1.00000
      6       2.0948      1.00000
      7       2.2565      1.00000
      8       2.9771      1.00752
      9       3.4315     -0.03194
     10       4.2212     -0.00000
     11       4.4847     -0.00000
     12       4.8490     -0.00000
     13       6.2107     -0.00000
     14       6.8530     -0.00000
     15       7.2607     -0.00000
     16       8.6995      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2526      1.00000
      2      -4.3367      1.00000
      3      -2.9451      1.00000
      4      -1.0845      1.00000
      5       1.1542      1.00000
      6       2.0948      1.00000
      7       2.2565      1.00000
      8       2.9771      1.00752
      9       3.4315     -0.03194
     10       4.2212     -0.00000
     11       4.4847     -0.00000
     12       4.8490     -0.00000
     13       6.2107     -0.00000
     14       6.8531     -0.00000
     15       7.2607     -0.00000
     16       8.6949      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2526      1.00000
      2      -4.3367      1.00000
      3      -2.9451      1.00000
      4      -1.0845      1.00000
      5       1.1542      1.00000
      6       2.0948      1.00000
      7       2.2565      1.00000
      8       2.9771      1.00752
      9       3.4315     -0.03194
     10       4.2212     -0.00000
     11       4.4847     -0.00000
     12       4.8490     -0.00000
     13       6.2107     -0.00000
     14       6.8530     -0.00000
     15       7.2607     -0.00000
     16       8.6989      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39238
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.2456     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39235
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3725     -0.00000
     16       8.2841     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39241
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3725     -0.00000
     16       8.2736     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39241
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3726     -0.00000
     16       8.3339     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39237
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3725     -0.00000
     16       8.2666     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1545      1.00000
      2      -2.2427      1.00000
      3      -0.8851      1.00000
      4      -0.6538      1.00000
      5       0.1721      1.00000
      6       0.8183      1.00000
      7       1.7511      1.00000
      8       1.8267      1.00000
      9       2.5458      1.00008
     10       3.1786      0.39237
     11       4.1355     -0.00000
     12       4.6562     -0.00000
     13       6.0497     -0.00000
     14       6.1540     -0.00000
     15       6.3725     -0.00000
     16       8.3176     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8829      1.00000
      2      -0.8655      1.00000
      3      -0.8408      1.00000
      4      -0.0311      1.00000
      5       0.0382      1.00000
      6       0.0506      1.00000
      7       1.0809      1.00000
      8       1.0890      1.00000
      9       1.7874      1.00000
     10       2.6808      1.00211
     11       4.0826     -0.00000
     12       4.1129     -0.00000
     13       5.9810     -0.00000
     14       6.0053     -0.00000
     15       6.0645     -0.00000
     16       8.0193     -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   1.881  -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  13.768  -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   1.881  -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
115.806 -61.855  -0.000  -0.085  -0.000   0.000  -0.022   0.000
-61.855  33.039   0.000   0.036   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.074  -0.000   0.000  -0.322   0.000   0.000
 -0.085   0.036  -0.000   1.742   0.000   0.000  -0.267  -0.000
 -0.000   0.000   0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.022   0.013   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
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   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      0.0019
    FORHF :  cpu time    421.0847: real time    424.0685
    FORNL :  cpu time      0.5015: real time      0.5070
    FORCOR:  cpu time      1.9550: real time      1.9661
    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
 -----------------------------------------------------------------------------------------------
   0.237E-06 -.292E-06 0.183E+03   0.437E-13 0.278E-13 -.182E+03   0.424E-06 0.106E-05 -.125E+01
   -.358E-05 -.102E-04 0.913E+02   0.127E-14 0.423E-15 -.914E+02   0.259E-05 0.971E-05 0.171E+00
   0.336E-05 -.104E-04 -.347E+00   -.142E-12 -.785E-13 0.361E+00   -.278E-05 0.118E-04 -.327E-01
   -.388E-05 -.115E-04 -.925E+02   0.132E-12 0.762E-13 0.924E+02   0.709E-05 0.128E-04 0.107E+00
   0.283E-06 -.337E-05 -.181E+03   -.446E-13 -.229E-13 0.180E+03   0.169E-06 0.436E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.486E-05 -.383E-04 -.233E-01   -.971E-14 0.313E-14 0.000E+00   0.749E-05 0.397E-04 0.240E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.124561
      0.00000      0.00000      2.33311        -0.000002     -0.000001      0.117371
      1.42873      0.82488      4.66000        -0.000001      0.000000     -0.018194
      2.85746      1.64976      6.97828         0.000003      0.000001      0.007075
      0.00000      0.00000      9.35725         0.000000      0.000001      0.018309
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000003      0.001864


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90198347 eV

  energy  without entropy=      -13.89641708  energy(sigma->0) =      -13.90012801
 
 d Force = 0.8722719E-04[ 0.692E-04, 0.105E-03]  d Energy = 0.9095536E-04-0.373E-05
 d Force = 0.3300691E+00[ 0.330E+00, 0.330E+00]  d Ewald  = 0.3300691E+00-0.298E-08


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


    POTLOK:  cpu time      1.9697: real time      1.9807


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.346E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.4258
 eigenvalue spectrum of G is  4.4258  4.4258


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


    WAVPRE:  cpu time      0.0060: real time      0.1291
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0846: real time      0.0850
    POTLOK:  cpu time      1.9736: real time      1.9852
    EDDIAG:  cpu time    587.0008: real time    591.7592
    CHARGE:  cpu time      0.2645: real time      0.2664
 writing wavefunctions
     LOOP+:  cpu time   5129.6862: real time   5172.6524


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


    POTLOK:  cpu time      0.7259: real time      0.7313
    SETDIJ:  cpu time      1.2480: real time      1.2535
    TRIAL :  cpu time    585.7909: real time    590.6310
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2659: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    588.0450: real time    592.8988

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2665267E-03  (-0.3289787E-03)
 number of electron      15.0000000 magnetization      -0.0000134
 augmentation part       -0.0008648 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.62080973
  -exchange      EXHF   =        33.27327786
  -V(xc)+E(xc)   XCENC  =       -83.54591540
  PAW double counting   =    100942.52012849  -100841.56181494
  entropy T*S    EENTRO =        -0.00557039
  eigenvalues    EBANDS =       -35.01055799
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90171010 eV

  energy without entropy =      -13.89613971  energy(sigma->0) =      -13.89985330
  exchange ACFDT corr.  =        -0.00542121  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7250: real time      0.7309
    SETDIJ:  cpu time      1.2473: real time      1.2524
    TRIAL :  cpu time    584.1745: real time    588.9762
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    586.4168: real time    591.2314

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1403614E-03  (-0.1991115E-03)
 number of electron      15.0000000 magnetization      -0.0000136
 augmentation part       -0.0008643 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.29542387
  -exchange      EXHF   =        33.27189101
  -V(xc)+E(xc)   XCENC  =       -83.54641191
  PAW double counting   =    100938.87120478  -100837.91290110
  entropy T*S    EENTRO =        -0.00556271
  eigenvalues    EBANDS =       -35.33421111
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90185046 eV

  energy without entropy =      -13.89628775  energy(sigma->0) =      -13.89999622
  exchange ACFDT corr.  =        -0.00541468  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7249: real time      0.7303
    SETDIJ:  cpu time      1.2503: real time      1.2555
    TRIAL :  cpu time    584.5335: real time    589.3065
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    586.7794: real time    591.5651

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1127671E-03  (-0.8726360E-04)
 number of electron      15.0000000 magnetization      -0.0000136
 augmentation part       -0.0008648 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.17991456
  -exchange      EXHF   =        33.27102901
  -V(xc)+E(xc)   XCENC  =       -83.54671765
  PAW double counting   =    100938.59018884  -100837.63183836
  entropy T*S    EENTRO =        -0.00556872
  eigenvalues    EBANDS =       -35.44871992
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90196323 eV

  energy without entropy =      -13.89639451  energy(sigma->0) =      -13.90010699
  exchange ACFDT corr.  =        -0.00539332  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7300
    SETDIJ:  cpu time      1.2503: real time      1.2556
    TRIAL :  cpu time    584.3087: real time    589.0971
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    586.5539: real time    591.3550

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5878783E-04  (-0.5197550E-04)
 number of electron      15.0000000 magnetization      -0.0000134
 augmentation part       -0.0008664 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.27669848
  -exchange      EXHF   =        33.27096520
  -V(xc)+E(xc)   XCENC  =       -83.54673797
  PAW double counting   =    100941.54795155  -100840.58958767
  entropy T*S    EENTRO =        -0.00556914
  eigenvalues    EBANDS =       -35.35191805
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90202202 eV

  energy without entropy =      -13.89645287  energy(sigma->0) =      -13.90016563
  exchange ACFDT corr.  =        -0.00539515  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7300
    SETDIJ:  cpu time      1.2430: real time      1.2482
    TRIAL :  cpu time    584.9669: real time    589.7262
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    587.2049: real time    591.9766

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2406396E-04  (-0.3594078E-04)
 number of electron      15.0000000 magnetization      -0.0000131
 augmentation part       -0.0008681 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.34124608
  -exchange      EXHF   =        33.27111423
  -V(xc)+E(xc)   XCENC  =       -83.54668932
  PAW double counting   =    100944.58748488  -100843.62917193
  entropy T*S    EENTRO =        -0.00556003
  eigenvalues    EBANDS =       -35.28754083
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90204608 eV

  energy without entropy =      -13.89648605  energy(sigma->0) =      -13.90019274
  exchange ACFDT corr.  =        -0.00539483  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7254: real time      0.7307
    SETDIJ:  cpu time      1.2516: real time      1.2569
    TRIAL :  cpu time    585.2966: real time    590.0524
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    587.5443: real time    592.3127

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2256715E-04  (-0.1067815E-04)
 number of electron      15.0000000 magnetization      -0.0000127
 augmentation part       -0.0008689 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.31145520
  -exchange      EXHF   =        33.27116793
  -V(xc)+E(xc)   XCENC  =       -83.54667955
  PAW double counting   =    100946.78470156  -100845.82641821
  entropy T*S    EENTRO =        -0.00555203
  eigenvalues    EBANDS =       -35.31739728
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90206865 eV

  energy without entropy =      -13.89651661  energy(sigma->0) =      -13.90021797
  exchange ACFDT corr.  =        -0.00538789  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2502: real time      1.2554
    TRIAL :  cpu time    585.1484: real time    589.9292
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.7133: real time    594.4566
    CHARGE:  cpu time      0.2649: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time   1177.1069: real time   1186.6436

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6614486E-05  (-0.8459353E-05)
 number of electron      15.0000000 magnetization      -0.0000123
 augmentation part       -0.0008684 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.46818787
  -Hartree energ DENC   =      -701.27956354
  -exchange      EXHF   =        33.27130377
  -V(xc)+E(xc)   XCENC  =       -83.54666998
  PAW double counting   =    100949.37473363  -100848.41645126
  entropy T*S    EENTRO =        -0.00554988
  eigenvalues    EBANDS =       -35.34935090
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207526 eV

  energy without entropy =      -13.89652538  energy(sigma->0) =      -13.90022530
  exchange ACFDT corr.  =        -0.00538308  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9621


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8776       2 -69.7733       3 -69.7852       4 -69.7911       5 -69.9141
 
 
 
 E-fermi :   3.1536     XC(G=0):  -5.1194     alpha+bet : -8.9779

 Fermi energy:         3.1535878445

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8980      1.00000
      2      -9.9958      1.00000
      3      -8.6262      1.00000
      4      -6.7607      1.00000
      5      -4.3312      1.00000
      6      -1.5905      1.00000
      7       1.6255      1.00000
      8       4.6340     -0.00000
      9       5.4145     -0.00000
     10       7.9296     -0.00000
     11       7.9925     -0.00000
     12      11.8930      0.00000
     13      12.1869      0.00000
     14      16.0612      0.00000
     15      16.2292      0.00000
     16      16.4118      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6895      1.00000
      2      -9.7867      1.00000
      3      -8.4161      1.00000
      4      -6.5489      1.00000
      5      -4.1152      1.00000
      6      -1.3804      1.00000
      7       1.8390      1.00000
      8       4.8168     -0.00000
      9       5.5888     -0.00000
     10       8.0975     -0.00000
     11       8.1575     -0.00000
     12      12.0209      0.00000
     13      12.2828      0.00000
     14      13.1145      0.00000
     15      13.8586      0.00000
     16      14.3607      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6895      1.00000
      2      -9.7867      1.00000
      3      -8.4161      1.00000
      4      -6.5489      1.00000
      5      -4.1152      1.00000
      6      -1.3804      1.00000
      7       1.8390      1.00000
      8       4.8168     -0.00000
      9       5.5888     -0.00000
     10       8.0975     -0.00000
     11       8.1575     -0.00000
     12      12.0209      0.00000
     13      12.2828      0.00000
     14      13.1145      0.00000
     15      13.8481      0.00000
     16      14.5265      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6895      1.00000
      2      -9.7867      1.00000
      3      -8.4161      1.00000
      4      -6.5489      1.00000
      5      -4.1152      1.00000
      6      -1.3804      1.00000
      7       1.8390      1.00000
      8       4.8168     -0.00000
      9       5.5888     -0.00000
     10       8.0975     -0.00000
     11       8.1575     -0.00000
     12      12.0209      0.00000
     13      12.2828      0.00000
     14      13.1145      0.00000
     15      13.8490      0.00000
     16      14.3575      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0640      1.00000
      2      -9.1594      1.00000
      3      -7.7855      1.00000
      4      -5.9133      1.00000
      5      -3.4684      1.00000
      6      -0.7513      1.00000
      7       2.4651      1.00001
      8       5.3482     -0.00000
      9       6.1067     -0.00000
     10       8.4806     -0.00000
     11       8.6295      0.00000
     12       9.7243      0.00000
     13      10.2662      0.00000
     14      11.3702      0.00000
     15      12.5061      0.00000
     16      12.7739      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0640      1.00000
      2      -9.1594      1.00000
      3      -7.7855      1.00000
      4      -5.9133      1.00000
      5      -3.4684      1.00000
      6      -0.7513      1.00000
      7       2.4651      1.00001
      8       5.3482     -0.00000
      9       6.1067     -0.00000
     10       8.4806     -0.00000
     11       8.6295      0.00000
     12       9.7243      0.00000
     13      10.2662      0.00000
     14      11.3702      0.00000
     15      12.5104      0.00000
     16      12.8150      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0640      1.00000
      2      -9.1594      1.00000
      3      -7.7855      1.00000
      4      -5.9133      1.00000
      5      -3.4684      1.00000
      6      -0.7513      1.00000
      7       2.4651      1.00001
      8       5.3482     -0.00000
      9       6.1067     -0.00000
     10       8.4806     -0.00000
     11       8.6295      0.00000
     12       9.7243      0.00000
     13      10.2663      0.00000
     14      11.3702      0.00000
     15      12.5110      0.00000
     16      12.8835      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0210      1.00000
      2      -8.1127      1.00000
      3      -6.7333      1.00000
      4      -4.8542      1.00000
      5      -2.3967      1.00000
      6       0.2862      1.00000
      7       3.4216     -0.03346
      8       5.6420     -0.00000
      9       6.5438     -0.00000
     10       6.8602     -0.00000
     11       7.0526     -0.00000
     12       8.0583     -0.00000
     13       9.4047      0.00000
     14       9.5822      0.00000
     15       9.8062      0.00000
     16      11.5922      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0210      1.00000
      2      -8.1127      1.00000
      3      -6.7333      1.00000
      4      -4.8542      1.00000
      5      -2.3967      1.00000
      6       0.2862      1.00000
      7       3.4216     -0.03346
      8       5.6420     -0.00000
      9       6.5438     -0.00000
     10       6.8602     -0.00000
     11       7.0526     -0.00000
     12       8.0583     -0.00000
     13       9.4047      0.00000
     14       9.5822      0.00000
     15       9.8062      0.00000
     16      11.6029      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0210      1.00000
      2      -8.1127      1.00000
      3      -6.7333      1.00000
      4      -4.8542      1.00000
      5      -2.3967      1.00000
      6       0.2862      1.00000
      7       3.4216     -0.03346
      8       5.6420     -0.00000
      9       6.5438     -0.00000
     10       6.8602     -0.00000
     11       7.0526     -0.00000
     12       8.0583     -0.00000
     13       9.4047      0.00000
     14       9.5822      0.00000
     15       9.8062      0.00000
     16      11.6396      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.6445      1.00000
      3      -5.2582      1.00000
      4      -3.3752      1.00000
      5      -0.9311      1.00000
      6       1.5744      1.00000
      7       2.5412      1.00007
      8       3.5184     -0.01324
      9       4.7954     -0.00000
     10       5.1363     -0.00000
     11       6.5226     -0.00000
     12       7.6556     -0.00000
     13       8.2154     -0.00000
     14       8.7140      0.00000
     15      10.5197      0.00000
     16      10.8343      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.6445      1.00000
      3      -5.2582      1.00000
      4      -3.3752      1.00000
      5      -0.9311      1.00000
      6       1.5744      1.00000
      7       2.5412      1.00007
      8       3.5184     -0.01324
      9       4.7954     -0.00000
     10       5.1363     -0.00000
     11       6.5226     -0.00000
     12       7.6556     -0.00000
     13       8.2155     -0.00000
     14       8.7140      0.00000
     15      10.5204      0.00000
     16      10.8342      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.6445      1.00000
      3      -5.2582      1.00000
      4      -3.3752      1.00000
      5      -0.9311      1.00000
      6       1.5744      1.00000
      7       2.5412      1.00007
      8       3.5184     -0.01324
      9       4.7954     -0.00000
     10       5.1363     -0.00000
     11       6.5226     -0.00000
     12       7.6556     -0.00000
     13       8.2154     -0.00000
     14       8.7140      0.00000
     15      10.5196      0.00000
     16      10.8330      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6720      1.00000
      2      -4.7521      1.00000
      3      -3.3648      1.00000
      4      -1.5226      1.00000
      5      -0.6749      1.00000
      6       0.1111      1.00000
      7       1.1136      1.00000
      8       2.0128      1.00000
      9       3.6472     -0.00129
     10       3.7428     -0.00012
     11       5.9366     -0.00000
     12       6.7129     -0.00000
     13       8.2346     -0.00000
     14       9.2000      0.00000
     15       9.7553      0.00000
     16      10.6323      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6720      1.00000
      2      -4.7521      1.00000
      3      -3.3648      1.00000
      4      -1.5226      1.00000
      5      -0.6749      1.00000
      6       0.1111      1.00000
      7       1.1136      1.00000
      8       2.0128      1.00000
      9       3.6472     -0.00129
     10       3.7428     -0.00012
     11       5.9366     -0.00000
     12       6.7129     -0.00000
     13       8.2346     -0.00000
     14       9.1993      0.00000
     15       9.7552      0.00000
     16      10.4073      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6720      1.00000
      2      -4.7521      1.00000
      3      -3.3648      1.00000
      4      -1.5226      1.00000
      5      -0.6749      1.00000
      6       0.1111      1.00000
      7       1.1136      1.00000
      8       2.0128      1.00000
      9       3.6472     -0.00129
     10       3.7428     -0.00012
     11       5.9366     -0.00000
     12       6.7129     -0.00000
     13       8.2346     -0.00000
     14       9.1994      0.00000
     15       9.7550      0.00000
     16      10.4880      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3738      1.00000
      2      -3.3520      1.00000
      3      -2.4557      1.00000
      4      -2.4418      1.00000
      5      -1.3027      1.00000
      6      -0.9078      1.00000
      7       0.6383      1.00000
      8       1.3813      1.00000
      9       3.3891     -0.03517
     10       3.5277     -0.01148
     11       5.6749     -0.00000
     12       6.0170     -0.00000
     13       8.4116     -0.00000
     14       8.8647      0.00000
     15      10.2548      0.00000
     16      10.5445      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3738      1.00000
      2      -3.3520      1.00000
      3      -2.4557      1.00000
      4      -2.4418      1.00000
      5      -1.3027      1.00000
      6      -0.9078      1.00000
      7       0.6383      1.00000
      8       1.3813      1.00000
      9       3.3891     -0.03517
     10       3.5277     -0.01148
     11       5.6749     -0.00000
     12       6.0170     -0.00000
     13       8.4116     -0.00000
     14       8.8647      0.00000
     15      10.2618      0.00000
     16      10.6217      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3738      1.00000
      2      -3.3520      1.00000
      3      -2.4557      1.00000
      4      -2.4418      1.00000
      5      -1.3027      1.00000
      6      -0.9078      1.00000
      7       0.6383      1.00000
      8       1.3813      1.00000
      9       3.3891     -0.03517
     10       3.5277     -0.01148
     11       5.6749     -0.00000
     12       6.0170     -0.00000
     13       8.4116     -0.00000
     14       8.8646      0.00000
     15      10.2330      0.00000
     16      10.5468      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2726      1.00000
      2      -9.3685      1.00000
      3      -7.9957      1.00000
      4      -6.1252      1.00000
      5      -3.6838      1.00000
      6      -0.9607      1.00000
      7       2.2593      1.00000
      8       5.1757     -0.00000
      9       5.9355     -0.00000
     10       8.4221     -0.00000
     11       8.4655     -0.00000
     12      11.4235      0.00000
     13      11.4415      0.00000
     14      11.8839      0.00000
     15      12.0116      0.00000
     16      12.6718      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2726      1.00000
      2      -9.3685      1.00000
      3      -7.9957      1.00000
      4      -6.1252      1.00000
      5      -3.6838      1.00000
      6      -0.9607      1.00000
      7       2.2593      1.00000
      8       5.1757     -0.00000
      9       5.9355     -0.00000
     10       8.4221     -0.00000
     11       8.4655     -0.00000
     12      11.4229      0.00000
     13      11.4495      0.00000
     14      11.8862      0.00000
     15      12.0091      0.00000
     16      12.6869      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2726      1.00000
      2      -9.3685      1.00000
      3      -7.9957      1.00000
      4      -6.1252      1.00000
      5      -3.6838      1.00000
      6      -0.9607      1.00000
      7       2.2593      1.00000
      8       5.1757     -0.00000
      9       5.9355     -0.00000
     10       8.4221     -0.00000
     11       8.4655     -0.00000
     12      11.4231      0.00000
     13      11.4387      0.00000
     14      11.8875      0.00000
     15      12.0158      0.00000
     16      12.6667      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83374
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5802     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8292      0.00000
     15      10.1769      0.00000
     16      10.7141      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83374
      8       5.8266     -0.00000
      9       6.6038     -0.00000
     10       7.8536     -0.00000
     11       8.5802     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8291      0.00000
     15      10.1764      0.00000
     16      10.7132      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83374
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5802     -0.00000
     12       9.0039      0.00000
     13       9.4216      0.00000
     14       9.8291      0.00000
     15      10.1767      0.00000
     16      10.7148      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83374
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5802     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8292      0.00000
     15      10.1767      0.00000
     16      10.7132      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83374
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5802     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8292      0.00000
     15      10.1772      0.00000
     16      10.7147      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83374
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5802     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8292      0.00000
     15      10.1766      0.00000
     16      10.7122      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.8949      0.00000
     15       9.6054      0.00000
     16      10.2110      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.8964      0.00000
     15       9.6331      0.00000
     16      10.1061      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.9005      0.00000
     15       9.6254      0.00000
     16      10.2710      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.9115      0.00000
     15       9.6031      0.00000
     16      10.2658      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.8956      0.00000
     15       9.5984      0.00000
     16      10.1495      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.9022      0.00000
     15       9.9935      0.00000
     16      10.2401      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99912
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6557      0.00000
     15       9.1030      0.00000
     16       9.1267      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9778     -0.00000
     14       8.6545      0.00000
     15       9.1031      0.00000
     16       9.1261      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9777     -0.00000
     14       8.6529      0.00000
     15       9.1030      0.00000
     16       9.1202      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6533      0.00000
     15       9.1032      0.00000
     16       9.1232      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6559      0.00000
     15       9.1035      0.00000
     16       9.1301      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6533      0.00000
     15       9.1047      0.00000
     16       9.1210      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4923      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8345      0.00000
     16       9.7074      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4923      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8342      0.00000
     16       9.7332      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4923      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8441      0.00000
     16       9.7790      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4923      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8342      0.00000
     16       9.7031      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4923      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0149     -0.00000
     15       8.8348      0.00000
     16       9.6999      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4923      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8366      0.00000
     16       9.7625      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3948      1.00000
      2      -7.4842      1.00000
      3      -6.1015      1.00000
      4      -4.2191      1.00000
      5      -1.7591      1.00000
      6       0.9004      1.00000
      7       3.9610     -0.00000
      8       6.0147     -0.00000
      9       6.4889     -0.00000
     10       7.2224     -0.00000
     11       7.3169     -0.00000
     12       7.4816     -0.00000
     13       7.6028     -0.00000
     14       8.3706     -0.00000
     15       8.7575      0.00000
     16      10.0663      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3948      1.00000
      2      -7.4842      1.00000
      3      -6.1015      1.00000
      4      -4.2191      1.00000
      5      -1.7591      1.00000
      6       0.9004      1.00000
      7       3.9610     -0.00000
      8       6.0147     -0.00000
      9       6.4889     -0.00000
     10       7.2224     -0.00000
     11       7.3169     -0.00000
     12       7.4816     -0.00000
     13       7.6028     -0.00000
     14       8.3702     -0.00000
     15       8.7371      0.00000
     16      10.0664      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3948      1.00000
      2      -7.4842      1.00000
      3      -6.1015      1.00000
      4      -4.2191      1.00000
      5      -1.7591      1.00000
      6       0.9004      1.00000
      7       3.9610     -0.00000
      8       6.0147     -0.00000
      9       6.4889     -0.00000
     10       7.2224     -0.00000
     11       7.3169     -0.00000
     12       7.4816     -0.00000
     13       7.6028     -0.00000
     14       8.3696     -0.00000
     15       8.7367      0.00000
     16      10.0560      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9311      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58579
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4185     -0.00000
     16       8.7595      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9311      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58579
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4189     -0.00000
     16       8.7622      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9311      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58580
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4195     -0.00000
     16       8.7603      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9311      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58579
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4204     -0.00000
     16       8.7602      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9311      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58580
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7586     -0.00000
     15       8.4183     -0.00000
     16       8.7624      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9311      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58579
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4187     -0.00000
     16       8.7592      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8625     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5271     -0.00000
     16       8.8482      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3938     -0.00000
     15       7.5271     -0.00000
     16       8.8499      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5271     -0.00000
     16       8.8487      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5271     -0.00000
     16       8.8732      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5271     -0.00000
     16       8.8808      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3938     -0.00000
     15       7.5272     -0.00000
     16       8.8865      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7260      1.00000
      3      -1.8300      1.00000
      4      -1.8220      1.00000
      5      -0.6887      1.00000
      6      -0.2948      1.00000
      7       1.2386      1.00000
      8       1.9729      1.00000
      9       3.7758     -0.00005
     10       3.9023     -0.00000
     11       4.7137     -0.00000
     12       5.7505     -0.00000
     13       6.3937     -0.00000
     14       6.7523     -0.00000
     15       7.1197     -0.00000
     16       8.8089      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7260      1.00000
      3      -1.8300      1.00000
      4      -1.8220      1.00000
      5      -0.6887      1.00000
      6      -0.2948      1.00000
      7       1.2386      1.00000
      8       1.9729      1.00000
      9       3.7758     -0.00005
     10       3.9023     -0.00000
     11       4.7137     -0.00000
     12       5.7505     -0.00000
     13       6.3937     -0.00000
     14       6.7523     -0.00000
     15       7.1197     -0.00000
     16       8.7587      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7260      1.00000
      3      -1.8300      1.00000
      4      -1.8220      1.00000
      5      -0.6887      1.00000
      6      -0.2948      1.00000
      7       1.2386      1.00000
      8       1.9729      1.00000
      9       3.7758     -0.00005
     10       3.9023     -0.00000
     11       4.7137     -0.00000
     12       5.7505     -0.00000
     13       6.3937     -0.00000
     14       6.7523     -0.00000
     15       7.1197     -0.00000
     16       8.7524      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2547      1.00000
      2      -4.3340      1.00000
      3      -2.9446      1.00000
      4      -1.0864      1.00000
      5       1.1518      1.00000
      6       2.0926      1.00000
      7       2.2554      1.00000
      8       2.9789      1.00464
      9       3.4347     -0.03140
     10       4.2220     -0.00000
     11       4.4834     -0.00000
     12       4.8489     -0.00000
     13       6.2092     -0.00000
     14       6.8507     -0.00000
     15       7.2568     -0.00000
     16       8.6923      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2547      1.00000
      2      -4.3340      1.00000
      3      -2.9446      1.00000
      4      -1.0864      1.00000
      5       1.1518      1.00000
      6       2.0926      1.00000
      7       2.2554      1.00000
      8       2.9789      1.00464
      9       3.4347     -0.03140
     10       4.2219     -0.00000
     11       4.4834     -0.00000
     12       4.8489     -0.00000
     13       6.2092     -0.00000
     14       6.8507     -0.00000
     15       7.2568     -0.00000
     16       8.7051      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2547      1.00000
      2      -4.3340      1.00000
      3      -2.9446      1.00000
      4      -1.0864      1.00000
      5       1.1518      1.00000
      6       2.0926      1.00000
      7       2.2554      1.00000
      8       2.9789      1.00464
      9       3.4347     -0.03140
     10       4.2220     -0.00000
     11       4.4834     -0.00000
     12       4.8489     -0.00000
     13       6.2092     -0.00000
     14       6.8507     -0.00000
     15       7.2568     -0.00000
     16       8.7079      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6557      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1781      0.39152
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2295     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6557      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39158
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2973     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6557      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1781      0.39154
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2470     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6557      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1781      0.39153
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2543     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6557      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1781      0.39156
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2432     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6557      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1781      0.39155
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.4283     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8844      1.00000
      2      -0.8684      1.00000
      3      -0.8428      1.00000
      4      -0.0297      1.00000
      5       0.0418      1.00000
      6       0.0542      1.00000
      7       1.0831      1.00000
      8       1.0872      1.00000
      9       1.7884      1.00000
     10       2.6800      1.00209
     11       4.0792     -0.00000
     12       4.1118     -0.00000
     13       5.9774     -0.00000
     14       6.0048     -0.00000
     15       6.0607     -0.00000
     16       8.0161     -0.00000
 Fermi energy:         3.1535878445

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8980      1.00000
      2      -9.9958      1.00000
      3      -8.6262      1.00000
      4      -6.7607      1.00000
      5      -4.3312      1.00000
      6      -1.5905      1.00000
      7       1.6254      1.00000
      8       4.6340     -0.00000
      9       5.4145     -0.00000
     10       7.9296     -0.00000
     11       7.9925     -0.00000
     12      11.8930      0.00000
     13      12.1869      0.00000
     14      16.0639      0.00000
     15      16.3569      0.00000
     16      16.5720      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6895      1.00000
      2      -9.7867      1.00000
      3      -8.4161      1.00000
      4      -6.5489      1.00000
      5      -4.1152      1.00000
      6      -1.3805      1.00000
      7       1.8390      1.00000
      8       4.8168     -0.00000
      9       5.5888     -0.00000
     10       8.0975     -0.00000
     11       8.1575     -0.00000
     12      12.0209      0.00000
     13      12.2827      0.00000
     14      13.1145      0.00000
     15      13.8481      0.00000
     16      14.3285      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6895      1.00000
      2      -9.7867      1.00000
      3      -8.4161      1.00000
      4      -6.5489      1.00000
      5      -4.1152      1.00000
      6      -1.3805      1.00000
      7       1.8390      1.00000
      8       4.8168     -0.00000
      9       5.5888     -0.00000
     10       8.0975     -0.00000
     11       8.1575     -0.00000
     12      12.0209      0.00000
     13      12.2827      0.00000
     14      13.1145      0.00000
     15      13.8478      0.00000
     16      14.3218      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6895      1.00000
      2      -9.7867      1.00000
      3      -8.4161      1.00000
      4      -6.5489      1.00000
      5      -4.1152      1.00000
      6      -1.3805      1.00000
      7       1.8390      1.00000
      8       4.8168     -0.00000
      9       5.5888     -0.00000
     10       8.0975     -0.00000
     11       8.1575     -0.00000
     12      12.0209      0.00000
     13      12.2827      0.00000
     14      13.1145      0.00000
     15      13.8513      0.00000
     16      14.3467      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0640      1.00000
      2      -9.1594      1.00000
      3      -7.7855      1.00000
      4      -5.9133      1.00000
      5      -3.4684      1.00000
      6      -0.7513      1.00000
      7       2.4651      1.00001
      8       5.3482     -0.00000
      9       6.1067     -0.00000
     10       8.4806     -0.00000
     11       8.6295      0.00000
     12       9.7243      0.00000
     13      10.2662      0.00000
     14      11.3702      0.00000
     15      12.5173      0.00000
     16      12.8911      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0640      1.00000
      2      -9.1594      1.00000
      3      -7.7855      1.00000
      4      -5.9133      1.00000
      5      -3.4684      1.00000
      6      -0.7513      1.00000
      7       2.4651      1.00001
      8       5.3482     -0.00000
      9       6.1067     -0.00000
     10       8.4806     -0.00000
     11       8.6295      0.00000
     12       9.7243      0.00000
     13      10.2662      0.00000
     14      11.3702      0.00000
     15      12.5065      0.00000
     16      12.7724      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0640      1.00000
      2      -9.1594      1.00000
      3      -7.7855      1.00000
      4      -5.9133      1.00000
      5      -3.4684      1.00000
      6      -0.7513      1.00000
      7       2.4651      1.00001
      8       5.3482     -0.00000
      9       6.1067     -0.00000
     10       8.4806     -0.00000
     11       8.6295      0.00000
     12       9.7243      0.00000
     13      10.2662      0.00000
     14      11.3702      0.00000
     15      12.5116      0.00000
     16      12.8356      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0210      1.00000
      2      -8.1127      1.00000
      3      -6.7333      1.00000
      4      -4.8542      1.00000
      5      -2.3967      1.00000
      6       0.2862      1.00000
      7       3.4216     -0.03346
      8       5.6420     -0.00000
      9       6.5438     -0.00000
     10       6.8602     -0.00000
     11       7.0526     -0.00000
     12       8.0583     -0.00000
     13       9.4046      0.00000
     14       9.5822      0.00000
     15       9.8062      0.00000
     16      11.5949      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0210      1.00000
      2      -8.1127      1.00000
      3      -6.7333      1.00000
      4      -4.8542      1.00000
      5      -2.3967      1.00000
      6       0.2862      1.00000
      7       3.4216     -0.03346
      8       5.6420     -0.00000
      9       6.5438     -0.00000
     10       6.8602     -0.00000
     11       7.0526     -0.00000
     12       8.0583     -0.00000
     13       9.4047      0.00000
     14       9.5822      0.00000
     15       9.8062      0.00000
     16      11.6239      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0210      1.00000
      2      -8.1127      1.00000
      3      -6.7333      1.00000
      4      -4.8542      1.00000
      5      -2.3967      1.00000
      6       0.2862      1.00000
      7       3.4216     -0.03346
      8       5.6420     -0.00000
      9       6.5438     -0.00000
     10       6.8602     -0.00000
     11       7.0526     -0.00000
     12       8.0583     -0.00000
     13       9.4047      0.00000
     14       9.5822      0.00000
     15       9.8062      0.00000
     16      11.6055      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.6445      1.00000
      3      -5.2582      1.00000
      4      -3.3752      1.00000
      5      -0.9311      1.00000
      6       1.5744      1.00000
      7       2.5412      1.00007
      8       3.5184     -0.01324
      9       4.7954     -0.00000
     10       5.1363     -0.00000
     11       6.5226     -0.00000
     12       7.6556     -0.00000
     13       8.2154     -0.00000
     14       8.7140      0.00000
     15      10.5183      0.00000
     16      10.8345      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.6445      1.00000
      3      -5.2582      1.00000
      4      -3.3752      1.00000
      5      -0.9311      1.00000
      6       1.5744      1.00000
      7       2.5412      1.00007
      8       3.5184     -0.01324
      9       4.7954     -0.00000
     10       5.1363     -0.00000
     11       6.5226     -0.00000
     12       7.6556     -0.00000
     13       8.2154     -0.00000
     14       8.7140      0.00000
     15      10.5224      0.00000
     16      10.8371      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.6445      1.00000
      3      -5.2582      1.00000
      4      -3.3752      1.00000
      5      -0.9311      1.00000
      6       1.5744      1.00000
      7       2.5412      1.00007
      8       3.5184     -0.01324
      9       4.7954     -0.00000
     10       5.1363     -0.00000
     11       6.5226     -0.00000
     12       7.6556     -0.00000
     13       8.2154     -0.00000
     14       8.7140      0.00000
     15      10.5219      0.00000
     16      10.8404      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7521      1.00000
      3      -3.3648      1.00000
      4      -1.5227      1.00000
      5      -0.6749      1.00000
      6       0.1111      1.00000
      7       1.1136      1.00000
      8       2.0128      1.00000
      9       3.6472     -0.00129
     10       3.7428     -0.00012
     11       5.9366     -0.00000
     12       6.7129     -0.00000
     13       8.2346     -0.00000
     14       9.1993      0.00000
     15       9.7550      0.00000
     16      10.5046      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7521      1.00000
      3      -3.3648      1.00000
      4      -1.5227      1.00000
      5      -0.6749      1.00000
      6       0.1111      1.00000
      7       1.1136      1.00000
      8       2.0128      1.00000
      9       3.6472     -0.00129
     10       3.7428     -0.00012
     11       5.9366     -0.00000
     12       6.7129     -0.00000
     13       8.2346     -0.00000
     14       9.1993      0.00000
     15       9.7551      0.00000
     16      10.5564      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7521      1.00000
      3      -3.3648      1.00000
      4      -1.5227      1.00000
      5      -0.6749      1.00000
      6       0.1111      1.00000
      7       1.1136      1.00000
      8       2.0128      1.00000
      9       3.6472     -0.00129
     10       3.7428     -0.00012
     11       5.9366     -0.00000
     12       6.7129     -0.00000
     13       8.2346     -0.00000
     14       9.1993      0.00000
     15       9.7554      0.00000
     16      10.5601      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3738      1.00000
      2      -3.3520      1.00000
      3      -2.4557      1.00000
      4      -2.4418      1.00000
      5      -1.3027      1.00000
      6      -0.9078      1.00000
      7       0.6383      1.00000
      8       1.3813      1.00000
      9       3.3891     -0.03517
     10       3.5277     -0.01148
     11       5.6749     -0.00000
     12       6.0170     -0.00000
     13       8.4116     -0.00000
     14       8.8648      0.00000
     15      10.4077      0.00000
     16      10.7484      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3738      1.00000
      2      -3.3520      1.00000
      3      -2.4557      1.00000
      4      -2.4418      1.00000
      5      -1.3027      1.00000
      6      -0.9078      1.00000
      7       0.6383      1.00000
      8       1.3813      1.00000
      9       3.3891     -0.03517
     10       3.5277     -0.01148
     11       5.6749     -0.00000
     12       6.0170     -0.00000
     13       8.4116     -0.00000
     14       8.8646      0.00000
     15      10.2698      0.00000
     16      10.5613      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3738      1.00000
      2      -3.3520      1.00000
      3      -2.4557      1.00000
      4      -2.4418      1.00000
      5      -1.3027      1.00000
      6      -0.9078      1.00000
      7       0.6383      1.00000
      8       1.3813      1.00000
      9       3.3891     -0.03517
     10       3.5277     -0.01148
     11       5.6749     -0.00000
     12       6.0170     -0.00000
     13       8.4116     -0.00000
     14       8.8647      0.00000
     15      10.5379      0.00000
     16      10.9129      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2726      1.00000
      2      -9.3685      1.00000
      3      -7.9957      1.00000
      4      -6.1252      1.00000
      5      -3.6838      1.00000
      6      -0.9607      1.00000
      7       2.2593      1.00000
      8       5.1757     -0.00000
      9       5.9355     -0.00000
     10       8.4221     -0.00000
     11       8.4655     -0.00000
     12      11.4229      0.00000
     13      11.4390      0.00000
     14      11.8840      0.00000
     15      12.0158      0.00000
     16      12.6646      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2726      1.00000
      2      -9.3685      1.00000
      3      -7.9957      1.00000
      4      -6.1252      1.00000
      5      -3.6838      1.00000
      6      -0.9607      1.00000
      7       2.2593      1.00000
      8       5.1757     -0.00000
      9       5.9355     -0.00000
     10       8.4221     -0.00000
     11       8.4655     -0.00000
     12      11.4230      0.00000
     13      11.4380      0.00000
     14      11.8866      0.00000
     15      12.0180      0.00000
     16      12.6489      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2726      1.00000
      2      -9.3685      1.00000
      3      -7.9957      1.00000
      4      -6.1252      1.00000
      5      -3.6838      1.00000
      6      -0.9607      1.00000
      7       2.2593      1.00000
      8       5.1757     -0.00000
      9       5.9355     -0.00000
     10       8.4221     -0.00000
     11       8.4655     -0.00000
     12      11.4228      0.00000
     13      11.4384      0.00000
     14      11.8813      0.00000
     15      12.0494      0.00000
     16      12.7357      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83378
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5801     -0.00000
     12       9.0039      0.00000
     13       9.4216      0.00000
     14       9.8292      0.00000
     15      10.1767      0.00000
     16      10.7125      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83378
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5801     -0.00000
     12       9.0039      0.00000
     13       9.4216      0.00000
     14       9.8292      0.00000
     15      10.1776      0.00000
     16      10.7150      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83378
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5801     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8292      0.00000
     15      10.1768      0.00000
     16      10.7123      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83378
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5801     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8292      0.00000
     15      10.1764      0.00000
     16      10.7127      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83378
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5801     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8291      0.00000
     15      10.1768      0.00000
     16      10.7123      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4384      1.00000
      2      -8.5316      1.00000
      3      -7.1544      1.00000
      4      -5.2778      1.00000
      5      -2.8241      1.00000
      6      -0.1257      1.00000
      7       3.0643      0.83378
      8       5.8266     -0.00000
      9       6.6037     -0.00000
     10       7.8536     -0.00000
     11       8.5801     -0.00000
     12       9.0039      0.00000
     13       9.4216      0.00000
     14       9.8291      0.00000
     15      10.1767      0.00000
     16      10.7121      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.8948      0.00000
     15       9.5930      0.00000
     16      10.1079      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.9023      0.00000
     15       9.6049      0.00000
     16      10.2018      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.9015      0.00000
     15       9.5917      0.00000
     16      10.1865      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.9049      0.00000
     15       9.6005      0.00000
     16      10.1887      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.8938      0.00000
     15       9.6104      0.00000
     16      10.2802      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2743      1.00000
      3      -5.8907      1.00000
      4      -4.0078      1.00000
      5      -1.5494      1.00000
      6       1.0920      1.00000
      7       3.8105     -0.00002
      8       4.6793     -0.00000
      9       5.3985     -0.00000
     10       6.5032     -0.00000
     11       7.0902     -0.00000
     12       7.6995     -0.00000
     13       8.1787     -0.00000
     14       8.8923      0.00000
     15       9.5921      0.00000
     16      10.1848      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99914
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6543      0.00000
     15       9.1047      0.00000
     16       9.1294      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9777     -0.00000
     14       8.6545      0.00000
     15       9.1029      0.00000
     16       9.1258      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99914
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9779     -0.00000
     14       8.6528      0.00000
     15       9.1039      0.00000
     16       9.1222      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99914
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6528      0.00000
     15       9.1037      0.00000
     16       9.1229      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99914
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9778     -0.00000
     14       8.6529      0.00000
     15       9.1029      0.00000
     16       9.1206      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5939      1.00000
      3      -4.2048      1.00000
      4      -2.3288      1.00000
      5       0.0185      1.00000
      6       0.9935      1.00000
      7       1.9711      1.00000
      8       2.9849      0.99913
      9       3.5167     -0.01342
     10       5.1934     -0.00000
     11       5.9080     -0.00000
     12       7.3280     -0.00000
     13       7.9776     -0.00000
     14       8.6540      0.00000
     15       9.1032      0.00000
     16       9.1226      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4924      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8374      0.00000
     16       9.7021      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4924      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8341      0.00000
     16       9.7080      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4924      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8341      0.00000
     16       9.7117      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4924      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8341      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      -3.4924      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0148     -0.00000
     15       8.8344      0.00000
     16       9.7001      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4924      1.00000
      3      -2.1218      1.00000
      4      -1.9012      1.00000
      5      -1.0489      1.00000
      6      -0.3632      1.00000
      7       0.6381      1.00000
      8       2.2906      1.00000
      9       2.6654      1.00158
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0245     -0.00000
     13       7.4884     -0.00000
     14       8.0149     -0.00000
     15       8.8341      0.00000
     16       9.7306      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3948      1.00000
      2      -7.4842      1.00000
      3      -6.1016      1.00000
      4      -4.2191      1.00000
      5      -1.7591      1.00000
      6       0.9004      1.00000
      7       3.9610     -0.00000
      8       6.0147     -0.00000
      9       6.4889     -0.00000
     10       7.2224     -0.00000
     11       7.3169     -0.00000
     12       7.4816     -0.00000
     13       7.6028     -0.00000
     14       8.3703     -0.00000
     15       8.7368      0.00000
     16      10.0644      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3948      1.00000
      2      -7.4842      1.00000
      3      -6.1016      1.00000
      4      -4.2191      1.00000
      5      -1.7591      1.00000
      6       0.9004      1.00000
      7       3.9610     -0.00000
      8       6.0147     -0.00000
      9       6.4889     -0.00000
     10       7.2224     -0.00000
     11       7.3169     -0.00000
     12       7.4816     -0.00000
     13       7.6028     -0.00000
     14       8.3702     -0.00000
     15       8.7367      0.00000
     16      10.0599      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3948      1.00000
      2      -7.4842      1.00000
      3      -6.1016      1.00000
      4      -4.2191      1.00000
      5      -1.7591      1.00000
      6       0.9004      1.00000
      7       3.9610     -0.00000
      8       6.0147     -0.00000
      9       6.4889     -0.00000
     10       7.2224     -0.00000
     11       7.3169     -0.00000
     12       7.4816     -0.00000
     13       7.6028     -0.00000
     14       8.3697     -0.00000
     15       8.7369      0.00000
     16      10.0706      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58583
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4192     -0.00000
     16       8.7593      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58582
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4202     -0.00000
     16       8.7603      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58582
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7589     -0.00000
     15       8.4187     -0.00000
     16       8.7617      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58583
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7586     -0.00000
     15       8.4181     -0.00000
     16       8.7607      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58582
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4196     -0.00000
     16       8.7593      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -6.0150      1.00000
      3      -4.6263      1.00000
      4      -2.7435      1.00000
      5      -0.3111      1.00000
      6       2.1592      1.00000
      7       3.1299      0.58582
      8       4.0932     -0.00000
      9       5.0852     -0.00000
     10       5.3504     -0.00000
     11       5.9039     -0.00000
     12       6.4764     -0.00000
     13       7.0109     -0.00000
     14       7.7585     -0.00000
     15       8.4183     -0.00000
     16       8.7619      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3938     -0.00000
     15       7.5272     -0.00000
     16       8.8526      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5274     -0.00000
     16       8.8367      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3938     -0.00000
     15       7.5271     -0.00000
     16       8.8511      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3938     -0.00000
     15       7.5271     -0.00000
     16       8.8585      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5271     -0.00000
     16       8.8661      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0441      1.00000
      2      -4.1231      1.00000
      3      -2.7366      1.00000
      4      -0.9048      1.00000
      5      -0.0584      1.00000
      6       0.7131      1.00000
      7       1.7041      1.00000
      8       2.5842      1.00022
      9       4.0688     -0.00000
     10       4.2680     -0.00000
     11       4.8624     -0.00000
     12       5.7228     -0.00000
     13       6.6245     -0.00000
     14       7.3939     -0.00000
     15       7.5271     -0.00000
     16       8.8773      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7481      1.00000
      2      -2.7260      1.00000
      3      -1.8300      1.00000
      4      -1.8220      1.00000
      5      -0.6887      1.00000
      6      -0.2948      1.00000
      7       1.2386      1.00000
      8       1.9729      1.00000
      9       3.7758     -0.00005
     10       3.9023     -0.00000
     11       4.7137     -0.00000
     12       5.7505     -0.00000
     13       6.3937     -0.00000
     14       6.7523     -0.00000
     15       7.1197     -0.00000
     16       8.7028      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7480      1.00000
      2      -2.7260      1.00000
      3      -1.8300      1.00000
      4      -1.8220      1.00000
      5      -0.6887      1.00000
      6      -0.2948      1.00000
      7       1.2386      1.00000
      8       1.9729      1.00000
      9       3.7758     -0.00005
     10       3.9023     -0.00000
     11       4.7137     -0.00000
     12       5.7505     -0.00000
     13       6.3937     -0.00000
     14       6.7523     -0.00000
     15       7.1197     -0.00000
     16       8.6855      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7481      1.00000
      2      -2.7260      1.00000
      3      -1.8300      1.00000
      4      -1.8220      1.00000
      5      -0.6887      1.00000
      6      -0.2948      1.00000
      7       1.2386      1.00000
      8       1.9729      1.00000
      9       3.7758     -0.00005
     10       3.9023     -0.00000
     11       4.7137     -0.00000
     12       5.7505     -0.00000
     13       6.3937     -0.00000
     14       6.7523     -0.00000
     15       7.1197     -0.00000
     16       8.7253      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2547      1.00000
      2      -4.3340      1.00000
      3      -2.9446      1.00000
      4      -1.0865      1.00000
      5       1.1518      1.00000
      6       2.0926      1.00000
      7       2.2554      1.00000
      8       2.9789      1.00465
      9       3.4347     -0.03140
     10       4.2219     -0.00000
     11       4.4834     -0.00000
     12       4.8489     -0.00000
     13       6.2092     -0.00000
     14       6.8507     -0.00000
     15       7.2568     -0.00000
     16       8.6972      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2547      1.00000
      2      -4.3340      1.00000
      3      -2.9446      1.00000
      4      -1.0865      1.00000
      5       1.1518      1.00000
      6       2.0926      1.00000
      7       2.2554      1.00000
      8       2.9789      1.00465
      9       3.4347     -0.03140
     10       4.2219     -0.00000
     11       4.4834     -0.00000
     12       4.8489     -0.00000
     13       6.2092     -0.00000
     14       6.8507     -0.00000
     15       7.2568     -0.00000
     16       8.6927      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2547      1.00000
      2      -4.3340      1.00000
      3      -2.9446      1.00000
      4      -1.0865      1.00000
      5       1.1518      1.00000
      6       2.0926      1.00000
      7       2.2554      1.00000
      8       2.9789      1.00465
      9       3.4347     -0.03140
     10       4.2219     -0.00000
     11       4.4834     -0.00000
     12       4.8489     -0.00000
     13       6.2092     -0.00000
     14       6.8507     -0.00000
     15       7.2568     -0.00000
     16       8.6962      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6558      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7494      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39161
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2422     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6558      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7494      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39159
     11       4.1333     -0.00000
     12       4.6559     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2759     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6558      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7495      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39165
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2661     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6558      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7494      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39165
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.3205     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6558      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7494      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39160
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.2603     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1566      1.00000
      2      -2.2399      1.00000
      3      -0.8846      1.00000
      4      -0.6558      1.00000
      5       0.1744      1.00000
      6       0.8175      1.00000
      7       1.7494      1.00000
      8       1.8260      1.00000
      9       2.5483      1.00008
     10       3.1780      0.39160
     11       4.1333     -0.00000
     12       4.6560     -0.00000
     13       6.0488     -0.00000
     14       6.1517     -0.00000
     15       6.3695     -0.00000
     16       8.3074     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8844      1.00000
      2      -0.8684      1.00000
      3      -0.8428      1.00000
      4      -0.0297      1.00000
      5       0.0418      1.00000
      6       0.0542      1.00000
      7       1.0831      1.00000
      8       1.0872      1.00000
      9       1.7883      1.00000
     10       2.6800      1.00209
     11       4.0792     -0.00000
     12       4.1118     -0.00000
     13       5.9774     -0.00000
     14       6.0048     -0.00000
     15       6.0607     -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
  8.065  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   1.881  -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  15.766  -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
  8.065  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   1.881  -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  15.766  -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
115.799 -61.851  -0.000  -0.084  -0.000   0.000  -0.022   0.000
-61.851  33.037   0.000   0.036   0.000  -0.000   0.013  -0.000
 -0.000   0.000   2.074  -0.000   0.000  -0.322   0.000  -0.000
 -0.084   0.036  -0.000   1.742  -0.000   0.000  -0.267  -0.000
 -0.000   0.000   0.000  -0.000   2.074  -0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000  -0.000   0.050  -0.000  -0.000
 -0.022   0.013   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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   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    421.7348: real time    424.7028
    FORNL :  cpu time      0.5020: real time      0.5071
    FORCOR:  cpu time      1.9730: real time      1.9835
    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
 -----------------------------------------------------------------------------------------------
   0.267E-05 -.235E-05 0.183E+03   0.440E-13 0.278E-13 -.182E+03   -.169E-05 0.450E-05 -.125E+01
   -.682E-05 -.166E-04 0.913E+02   -.299E-14 -.472E-15 -.913E+02   0.548E-05 0.145E-04 0.156E+00
   0.227E-05 -.112E-04 -.511E+00   -.146E-12 -.752E-13 0.518E+00   -.876E-06 0.140E-04 -.576E-02
   -.241E-05 -.147E-04 -.925E+02   0.134E-12 0.760E-13 0.924E+02   0.540E-05 0.163E-04 0.102E+00
   0.714E-05 -.606E-05 -.181E+03   -.385E-13 -.250E-13 0.180E+03   -.819E-05 0.837E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.276E-05 -.537E-04 -.134E-01   -.971E-14 0.313E-14 0.000E+00   0.120E-06 0.577E-04 0.220E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.126513
      0.00000      0.00000      2.33311        -0.000002     -0.000004      0.108271
      1.42873      0.82488      4.65730         0.000001      0.000001      0.000015
      2.85746      1.64976      6.97887         0.000003      0.000000      0.009220
      0.00000      0.00000      9.36022        -0.000001      0.000001      0.009007
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000006      0.009526


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90207526 eV

  energy  without entropy=      -13.89652538  energy(sigma->0) =      -13.90022530
 
 d Force = 0.6988627E-04[ 0.321E-04, 0.108E-03]  d Energy = 0.9179050E-04-0.219E-04
 d Force = 0.5883316E+00[ 0.588E+00, 0.589E+00]  d Ewald  = 0.5883316E+00-0.135E-07


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


    POTLOK:  cpu time      1.9735: real time      1.9845


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.801E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.7028
 eigenvalue spectrum of G is  3.7028


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


    WAVPRE:  cpu time      0.0059: real time      0.2036
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0847
    POTLOK:  cpu time      1.9725: real time      1.9833
    EDDIAG:  cpu time    589.2286: real time    594.0120
    CHARGE:  cpu time      0.2656: real time      0.2675
 writing wavefunctions
     LOOP+:  cpu time   5718.3214: real time   5765.5815


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


    POTLOK:  cpu time      0.7259: real time      0.7314
    SETDIJ:  cpu time      1.2495: real time      1.2549
    TRIAL :  cpu time    585.8086: real time    590.6896
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    588.0635: real time    592.9585

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4507773E-03  (-0.1955026E-02)
 number of electron      15.0000000 magnetization      -0.0000096
 augmentation part       -0.0008737 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.36580601
  -exchange      EXHF   =        33.27111698
  -V(xc)+E(xc)   XCENC  =       -83.54665000
  PAW double counting   =    100952.49159795  -100851.53325831
  entropy T*S    EENTRO =        -0.00551783
  eigenvalues    EBANDS =       -35.06531415
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90161787 eV

  energy without entropy =      -13.89610004  energy(sigma->0) =      -13.89977859
  exchange ACFDT corr.  =        -0.00536379  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7242: real time      0.7297
    SETDIJ:  cpu time      1.2506: real time      1.2557
    TRIAL :  cpu time    586.1668: real time    590.9666
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    588.4122: real time    593.2245

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1425501E-03  (-0.1514093E-02)
 number of electron      15.0000000 magnetization      -0.0000096
 augmentation part       -0.0008733 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.04497932
  -exchange      EXHF   =        33.27007289
  -V(xc)+E(xc)   XCENC  =       -83.54702667
  PAW double counting   =    100948.44878036  -100847.49042884
  entropy T*S    EENTRO =        -0.00550725
  eigenvalues    EBANDS =       -35.38461133
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90147532 eV

  energy without entropy =      -13.89596807  energy(sigma->0) =      -13.89963957
  exchange ACFDT corr.  =        -0.00534786  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7258: real time      0.7312
    SETDIJ:  cpu time      1.2496: real time      1.2547
    TRIAL :  cpu time    583.7289: real time    588.5338
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    585.9741: real time    590.7916

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5640061E-03  (-0.1112387E-05)
 number of electron      15.0000000 magnetization      -0.0000095
 augmentation part       -0.0008726 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -700.98228356
  -exchange      EXHF   =        33.26979772
  -V(xc)+E(xc)   XCENC  =       -83.54712997
  PAW double counting   =    100949.86557880  -100848.90721032
  entropy T*S    EENTRO =        -0.00551421
  eigenvalues    EBANDS =       -35.44752017
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90203933 eV

  energy without entropy =      -13.89652512  energy(sigma->0) =      -13.90020126
  exchange ACFDT corr.  =        -0.00533860  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7253: real time      0.7308
    SETDIJ:  cpu time      1.2492: real time      1.2544
    TRIAL :  cpu time    584.3586: real time    589.1510
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    586.6036: real time    591.4088

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1841660E-04  (-0.3069378E-03)
 number of electron      15.0000000 magnetization      -0.0000093
 augmentation part       -0.0008716 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.10461778
  -exchange      EXHF   =        33.27002279
  -V(xc)+E(xc)   XCENC  =       -83.54704370
  PAW double counting   =    100953.65911363  -100852.70074801
  entropy T*S    EENTRO =        -0.00551827
  eigenvalues    EBANDS =       -35.32546905
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90202091 eV

  energy without entropy =      -13.89650264  energy(sigma->0) =      -13.90018149
  exchange ACFDT corr.  =        -0.00534370  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7305
    SETDIJ:  cpu time      1.2501: real time      1.2553
    TRIAL :  cpu time    584.6864: real time    589.5291
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2657: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    586.9317: real time    591.7873

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8507224E-05  (-0.2016098E-03)
 number of electron      15.0000000 magnetization      -0.0000091
 augmentation part       -0.0008711 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.16212473
  -exchange      EXHF   =        33.27013270
  -V(xc)+E(xc)   XCENC  =       -83.54699863
  PAW double counting   =    100956.66325795  -100855.70490448
  entropy T*S    EENTRO =        -0.00551083
  eigenvalues    EBANDS =       -35.26809237
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90201240 eV

  energy without entropy =      -13.89650158  energy(sigma->0) =      -13.90017546
  exchange ACFDT corr.  =        -0.00534645  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7240: real time      0.7298
    SETDIJ:  cpu time      1.2508: real time      1.2560
    TRIAL :  cpu time    585.9851: real time    590.8609
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2660: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    588.2305: real time    593.1194

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8430620E-04  ( 0.3434581E-05)
 number of electron      15.0000000 magnetization      -0.0000088
 augmentation part       -0.0008705 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.12512584
  -exchange      EXHF   =        33.27007787
  -V(xc)+E(xc)   XCENC  =       -83.54702075
  PAW double counting   =    100958.77958246  -100857.82123299
  entropy T*S    EENTRO =        -0.00550426
  eigenvalues    EBANDS =       -35.30510205
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209671 eV

  energy without entropy =      -13.89659244  energy(sigma->0) =      -13.90026195
  exchange ACFDT corr.  =        -0.00534033  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7251: real time      0.7307
    SETDIJ:  cpu time      1.2507: real time      1.2558
    TRIAL :  cpu time    586.7676: real time    591.5792
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2656: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    589.0135: real time    593.8377

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9027775E-05  (-0.5025764E-04)
 number of electron      15.0000000 magnetization      -0.0000086
 augmentation part       -0.0008696 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.08104680
  -exchange      EXHF   =        33.26999995
  -V(xc)+E(xc)   XCENC  =       -83.54704977
  PAW double counting   =    100960.43882930  -100859.48048834
  entropy T*S    EENTRO =        -0.00550382
  eigenvalues    EBANDS =       -35.34906318
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90208768 eV

  energy without entropy =      -13.89658386  energy(sigma->0) =      -13.90025307
  exchange ACFDT corr.  =        -0.00533647  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7246: real time      0.7299
    SETDIJ:  cpu time      1.2496: real time      1.2548
    TRIAL :  cpu time    583.6466: real time    588.4677
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    585.8914: real time    590.7250

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3069203E-05  (-0.2544116E-04)
 number of electron      15.0000000 magnetization      -0.0000083
 augmentation part       -0.0008687 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.08999168
  -exchange      EXHF   =        33.27004074
  -V(xc)+E(xc)   XCENC  =       -83.54703256
  PAW double counting   =    100962.53755148  -100861.57920579
  entropy T*S    EENTRO =        -0.00550418
  eigenvalues    EBANDS =       -35.34018453
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209075 eV

  energy without entropy =      -13.89658657  energy(sigma->0) =      -13.90025602
  exchange ACFDT corr.  =        -0.00533609  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2508: real time      1.2559
    TRIAL :  cpu time    584.1893: real time    589.0267
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    586.4359: real time    591.2858

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1128229E-04  ( 0.5099570E-06)
 number of electron      15.0000000 magnetization      -0.0000080
 augmentation part       -0.0008677 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.12165388
  -exchange      EXHF   =        33.27013817
  -V(xc)+E(xc)   XCENC  =       -83.54699626
  PAW double counting   =    100965.14801543  -100864.18967592
  entropy T*S    EENTRO =        -0.00550267
  eigenvalues    EBANDS =       -35.30866082
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210203 eV

  energy without entropy =      -13.89659936  energy(sigma->0) =      -13.90026781
  exchange ACFDT corr.  =        -0.00533608  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7260: real time      0.7315
    SETDIJ:  cpu time      1.2503: real time      1.2554
    TRIAL :  cpu time    584.5778: real time    589.4087
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    589.1519: real time    593.9159
    CHARGE:  cpu time      0.2660: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time   1175.9766: real time   1185.5842

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1701032E-05  (-0.8090150E-05)
 number of electron      15.0000000 magnetization      -0.0000077
 augmentation part       -0.0008668 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.27085118
  -Hartree energ DENC   =      -701.12361492
  -exchange      EXHF   =        33.27008175
  -V(xc)+E(xc)   XCENC  =       -83.54699454
  PAW double counting   =    100967.17779705  -100866.21946742
  entropy T*S    EENTRO =        -0.00550028
  eigenvalues    EBANDS =       -35.30669364
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210033 eV

  energy without entropy =      -13.89660005  energy(sigma->0) =      -13.90026690
  exchange ACFDT corr.  =        -0.00533475  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9565


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8761       2 -69.7640       3 -69.7767       4 -69.7922       5 -69.9199
 
 
 
 E-fermi :   3.1530     XC(G=0):  -5.1194     alpha+bet : -8.9779

 Fermi energy:         3.1530314754

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8918      1.00000
      2      -9.9934      1.00000
      3      -8.6243      1.00000
      4      -6.7590      1.00000
      5      -4.3303      1.00000
      6      -1.5893      1.00000
      7       1.6250      1.00000
      8       4.6331     -0.00000
      9       5.4117     -0.00000
     10       7.9279     -0.00000
     11       7.9913     -0.00000
     12      11.8923      0.00000
     13      12.1860      0.00000
     14      16.0660      0.00000
     15      16.2026      0.00000
     16      16.3474      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7844      1.00000
      3      -8.4142      1.00000
      4      -6.5472      1.00000
      5      -4.1143      1.00000
      6      -1.3792      1.00000
      7       1.8386      1.00000
      8       4.8159     -0.00000
      9       5.5860     -0.00000
     10       8.0958     -0.00000
     11       8.1563     -0.00000
     12      12.0203      0.00000
     13      12.2820      0.00000
     14      13.1205      0.00000
     15      13.8559      0.00000
     16      14.3530      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7844      1.00000
      3      -8.4142      1.00000
      4      -6.5472      1.00000
      5      -4.1143      1.00000
      6      -1.3792      1.00000
      7       1.8386      1.00000
      8       4.8159     -0.00000
      9       5.5860     -0.00000
     10       8.0958     -0.00000
     11       8.1563     -0.00000
     12      12.0203      0.00000
     13      12.2819      0.00000
     14      13.1205      0.00000
     15      13.8503      0.00000
     16      14.4874      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7844      1.00000
      3      -8.4142      1.00000
      4      -6.5472      1.00000
      5      -4.1143      1.00000
      6      -1.3792      1.00000
      7       1.8386      1.00000
      8       4.8159     -0.00000
      9       5.5860     -0.00000
     10       8.0958     -0.00000
     11       8.1563     -0.00000
     12      12.0203      0.00000
     13      12.2820      0.00000
     14      13.1205      0.00000
     15      13.8508      0.00000
     16      14.3504      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1570      1.00000
      3      -7.7836      1.00000
      4      -5.9116      1.00000
      5      -3.4675      1.00000
      6      -0.7500      1.00000
      7       2.4648      1.00001
      8       5.3473     -0.00000
      9       6.1039     -0.00000
     10       8.4801     -0.00000
     11       8.6281      0.00000
     12       9.7298      0.00000
     13      10.2685      0.00000
     14      11.3720      0.00000
     15      12.5053      0.00000
     16      12.7744      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1570      1.00000
      3      -7.7836      1.00000
      4      -5.9116      1.00000
      5      -3.4675      1.00000
      6      -0.7500      1.00000
      7       2.4648      1.00001
      8       5.3473     -0.00000
      9       6.1039     -0.00000
     10       8.4801     -0.00000
     11       8.6281      0.00000
     12       9.7298      0.00000
     13      10.2685      0.00000
     14      11.3720      0.00000
     15      12.5088      0.00000
     16      12.8115      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1570      1.00000
      3      -7.7836      1.00000
      4      -5.9116      1.00000
      5      -3.4675      1.00000
      6      -0.7500      1.00000
      7       2.4648      1.00001
      8       5.3473     -0.00000
      9       6.1039     -0.00000
     10       8.4801     -0.00000
     11       8.6281      0.00000
     12       9.7298      0.00000
     13      10.2685      0.00000
     14      11.3720      0.00000
     15      12.5096      0.00000
     16      12.8737      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0147      1.00000
      2      -8.1103      1.00000
      3      -6.7314      1.00000
      4      -4.8524      1.00000
      5      -2.3957      1.00000
      6       0.2876      1.00000
      7       3.4216     -0.03366
      8       5.6454     -0.00000
      9       6.5445     -0.00000
     10       6.8629     -0.00000
     11       7.0506     -0.00000
     12       8.0601     -0.00000
     13       9.4038      0.00000
     14       9.5823      0.00000
     15       9.8064      0.00000
     16      11.5935      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0147      1.00000
      2      -8.1103      1.00000
      3      -6.7314      1.00000
      4      -4.8524      1.00000
      5      -2.3957      1.00000
      6       0.2876      1.00000
      7       3.4216     -0.03366
      8       5.6454     -0.00000
      9       6.5445     -0.00000
     10       6.8629     -0.00000
     11       7.0506     -0.00000
     12       8.0601     -0.00000
     13       9.4038      0.00000
     14       9.5823      0.00000
     15       9.8064      0.00000
     16      11.6027      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0147      1.00000
      2      -8.1103      1.00000
      3      -6.7314      1.00000
      4      -4.8524      1.00000
      5      -2.3957      1.00000
      6       0.2876      1.00000
      7       3.4216     -0.03366
      8       5.6454     -0.00000
      9       6.5445     -0.00000
     10       6.8629     -0.00000
     11       7.0506     -0.00000
     12       8.0601     -0.00000
     13       9.4038      0.00000
     14       9.5823      0.00000
     15       9.8064      0.00000
     16      11.6322      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5520      1.00000
      2      -6.6420      1.00000
      3      -5.2562      1.00000
      4      -3.3733      1.00000
      5      -0.9300      1.00000
      6       1.5767      1.00000
      7       2.5463      1.00007
      8       3.5207     -0.01313
      9       4.7967     -0.00000
     10       5.1374     -0.00000
     11       6.5245     -0.00000
     12       7.6548     -0.00000
     13       8.2128     -0.00000
     14       8.7152      0.00000
     15      10.5180      0.00000
     16      10.8330      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5520      1.00000
      2      -6.6420      1.00000
      3      -5.2562      1.00000
      4      -3.3733      1.00000
      5      -0.9300      1.00000
      6       1.5767      1.00000
      7       2.5463      1.00007
      8       3.5207     -0.01313
      9       4.7967     -0.00000
     10       5.1374     -0.00000
     11       6.5245     -0.00000
     12       7.6548     -0.00000
     13       8.2128     -0.00000
     14       8.7152      0.00000
     15      10.5185      0.00000
     16      10.8323      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5520      1.00000
      2      -6.6420      1.00000
      3      -5.2562      1.00000
      4      -3.3733      1.00000
      5      -0.9300      1.00000
      6       1.5767      1.00000
      7       2.5463      1.00007
      8       3.5207     -0.01313
      9       4.7967     -0.00000
     10       5.1374     -0.00000
     11       6.5245     -0.00000
     12       7.6548     -0.00000
     13       8.2128     -0.00000
     14       8.7152      0.00000
     15      10.5180      0.00000
     16      10.8312      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7495      1.00000
      3      -3.3628      1.00000
      4      -1.5206      1.00000
      5      -0.6684      1.00000
      6       0.1134      1.00000
      7       1.1147      1.00000
      8       2.0144      1.00000
      9       3.6485     -0.00129
     10       3.7450     -0.00012
     11       5.9377     -0.00000
     12       6.7131     -0.00000
     13       8.2360     -0.00000
     14       9.1991      0.00000
     15       9.7525      0.00000
     16      10.6255      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7495      1.00000
      3      -3.3628      1.00000
      4      -1.5206      1.00000
      5      -0.6684      1.00000
      6       0.1134      1.00000
      7       1.1147      1.00000
      8       2.0144      1.00000
      9       3.6485     -0.00129
     10       3.7450     -0.00012
     11       5.9377     -0.00000
     12       6.7131     -0.00000
     13       8.2360     -0.00000
     14       9.1987      0.00000
     15       9.7524      0.00000
     16      10.4103      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7495      1.00000
      3      -3.3628      1.00000
      4      -1.5206      1.00000
      5      -0.6684      1.00000
      6       0.1134      1.00000
      7       1.1147      1.00000
      8       2.0144      1.00000
      9       3.6485     -0.00129
     10       3.7450     -0.00012
     11       5.9377     -0.00000
     12       6.7131     -0.00000
     13       8.2360     -0.00000
     14       9.1987      0.00000
     15       9.7524      0.00000
     16      10.4757      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3457      1.00000
      3      -2.4535      1.00000
      4      -2.4389      1.00000
      5      -1.3002      1.00000
      6      -0.9062      1.00000
      7       0.6399      1.00000
      8       1.3831      1.00000
      9       3.3895     -0.03514
     10       3.5296     -0.01161
     11       5.6761     -0.00000
     12       6.0186     -0.00000
     13       8.4118     -0.00000
     14       8.8653      0.00000
     15      10.2440      0.00000
     16      10.5430      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3457      1.00000
      3      -2.4535      1.00000
      4      -2.4389      1.00000
      5      -1.3002      1.00000
      6      -0.9062      1.00000
      7       0.6399      1.00000
      8       1.3831      1.00000
      9       3.3895     -0.03514
     10       3.5296     -0.01161
     11       5.6761     -0.00000
     12       6.0186     -0.00000
     13       8.4118     -0.00000
     14       8.8653      0.00000
     15      10.2528      0.00000
     16      10.5937      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3457      1.00000
      3      -2.4535      1.00000
      4      -2.4389      1.00000
      5      -1.3002      1.00000
      6      -0.9062      1.00000
      7       0.6399      1.00000
      8       1.3831      1.00000
      9       3.3895     -0.03514
     10       3.5296     -0.01161
     11       5.6761     -0.00000
     12       6.0186     -0.00000
     13       8.4118     -0.00000
     14       8.8653      0.00000
     15      10.2355      0.00000
     16      10.5433      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3661      1.00000
      3      -7.9938      1.00000
      4      -6.1235      1.00000
      5      -3.6829      1.00000
      6      -0.9595      1.00000
      7       2.2589      1.00000
      8       5.1748     -0.00000
      9       5.9327     -0.00000
     10       8.4204     -0.00000
     11       8.4644     -0.00000
     12      11.4294      0.00000
     13      11.4453      0.00000
     14      11.8842      0.00000
     15      12.0124      0.00000
     16      12.6677      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3661      1.00000
      3      -7.9938      1.00000
      4      -6.1235      1.00000
      5      -3.6829      1.00000
      6      -0.9595      1.00000
      7       2.2589      1.00000
      8       5.1748     -0.00000
      9       5.9327     -0.00000
     10       8.4204     -0.00000
     11       8.4644     -0.00000
     12      11.4292      0.00000
     13      11.4495      0.00000
     14      11.8858      0.00000
     15      12.0106      0.00000
     16      12.6759      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3661      1.00000
      3      -7.9938      1.00000
      4      -6.1235      1.00000
      5      -3.6829      1.00000
      6      -0.9595      1.00000
      7       2.2589      1.00000
      8       5.1748     -0.00000
      9       5.9327     -0.00000
     10       8.4204     -0.00000
     11       8.4644     -0.00000
     12      11.4294      0.00000
     13      11.4435      0.00000
     14      11.8867      0.00000
     15      12.0148      0.00000
     16      12.6635      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83856
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1817      0.00000
     16      10.7155      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83856
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1815      0.00000
     16      10.7151      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83856
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1816      0.00000
     16      10.7158      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83856
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1816      0.00000
     16      10.7150      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83856
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1818      0.00000
     16      10.7159      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83856
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1816      0.00000
     16      10.7144      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8986      0.00000
     15       9.6005      0.00000
     16      10.2009      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8983      0.00000
     15       9.6093      0.00000
     16      10.0893      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.9015      0.00000
     15       9.6144      0.00000
     16      10.2662      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.9077      0.00000
     15       9.6001      0.00000
     16      10.2607      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8982      0.00000
     15       9.5972      0.00000
     16      10.1310      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.9039      0.00000
     15       9.9742      0.00000
     16      10.2281      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1955     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6550      0.00000
     15       9.1018      0.00000
     16       9.1254      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3268      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1955     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9806     -0.00000
     14       8.6545      0.00000
     15       9.1017      0.00000
     16       9.1254      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3268      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1955     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6537      0.00000
     15       9.1017      0.00000
     16       9.1215      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1955     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6539      0.00000
     15       9.1017      0.00000
     16       9.1235      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3268      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1955     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6552      0.00000
     15       9.1017      0.00000
     16       9.1279      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3268      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1955     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6538      0.00000
     15       9.1028      0.00000
     16       9.1220      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0460      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8366      0.00000
     16       9.7057      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0460      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8364      0.00000
     16       9.7259      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0460      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8414      0.00000
     16       9.7511      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0460      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8364      0.00000
     16       9.7008      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0460      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8367      0.00000
     16       9.6988      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0460      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8376      0.00000
     16       9.7475      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3885      1.00000
      2      -7.4817      1.00000
      3      -6.0996      1.00000
      4      -4.2173      1.00000
      5      -1.7580      1.00000
      6       0.9018      1.00000
      7       3.9613     -0.00000
      8       6.0183     -0.00000
      9       6.4934     -0.00000
     10       7.2250     -0.00000
     11       7.3196     -0.00000
     12       7.4835     -0.00000
     13       7.6008     -0.00000
     14       8.3715     -0.00000
     15       8.7467      0.00000
     16      10.0621      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3885      1.00000
      2      -7.4817      1.00000
      3      -6.0996      1.00000
      4      -4.2173      1.00000
      5      -1.7580      1.00000
      6       0.9018      1.00000
      7       3.9613     -0.00000
      8       6.0183     -0.00000
      9       6.4934     -0.00000
     10       7.2250     -0.00000
     11       7.3196     -0.00000
     12       7.4835     -0.00000
     13       7.6008     -0.00000
     14       8.3713     -0.00000
     15       8.7391      0.00000
     16      10.0646      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3885      1.00000
      2      -7.4817      1.00000
      3      -6.0996      1.00000
      4      -4.2173      1.00000
      5      -1.7580      1.00000
      6       0.9018      1.00000
      7       3.9613     -0.00000
      8       6.0183     -0.00000
      9       6.4934     -0.00000
     10       7.2250     -0.00000
     11       7.3196     -0.00000
     12       7.4835     -0.00000
     13       7.6008     -0.00000
     14       8.3711     -0.00000
     15       8.7389      0.00000
     16      10.0546      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9248      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58290
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4179     -0.00000
     16       8.7568      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9248      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1616      1.00000
      7       3.1351      0.58290
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4179     -0.00000
     16       8.7587      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9248      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58290
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4184     -0.00000
     16       8.7574      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9248      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58290
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4190     -0.00000
     16       8.7573      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9248      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58291
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4176     -0.00000
     16       8.7590      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9248      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58290
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4178     -0.00000
     16       8.7566      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8495      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8506      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8500      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8735      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8817      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5282     -0.00000
     16       8.8846      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7415      1.00000
      2      -2.7198      1.00000
      3      -1.8270      1.00000
      4      -1.8197      1.00000
      5      -0.6862      1.00000
      6      -0.2930      1.00000
      7       1.2403      1.00000
      8       1.9747      1.00000
      9       3.7767     -0.00005
     10       3.9059     -0.00000
     11       4.7182     -0.00000
     12       5.7520     -0.00000
     13       6.3942     -0.00000
     14       6.7540     -0.00000
     15       7.1219     -0.00000
     16       8.7871      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7415      1.00000
      2      -2.7198      1.00000
      3      -1.8270      1.00000
      4      -1.8197      1.00000
      5      -0.6862      1.00000
      6      -0.2930      1.00000
      7       1.2403      1.00000
      8       1.9747      1.00000
      9       3.7767     -0.00005
     10       3.9059     -0.00000
     11       4.7182     -0.00000
     12       5.7520     -0.00000
     13       6.3942     -0.00000
     14       6.7540     -0.00000
     15       7.1219     -0.00000
     16       8.7457      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7415      1.00000
      2      -2.7198      1.00000
      3      -1.8270      1.00000
      4      -1.8197      1.00000
      5      -0.6862      1.00000
      6      -0.2930      1.00000
      7       1.2403      1.00000
      8       1.9747      1.00000
      9       3.7767     -0.00005
     10       3.9059     -0.00000
     11       4.7182     -0.00000
     12       5.7520     -0.00000
     13       6.3942     -0.00000
     14       6.7540     -0.00000
     15       7.1219     -0.00000
     16       8.7405      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3314      1.00000
      3      -2.9425      1.00000
      4      -1.0845      1.00000
      5       1.1538      1.00000
      6       2.0990      1.00000
      7       2.2609      1.00000
      8       2.9817      1.00387
      9       3.4362     -0.03129
     10       4.2233     -0.00000
     11       4.4858     -0.00000
     12       4.8507     -0.00000
     13       6.2107     -0.00000
     14       6.8526     -0.00000
     15       7.2571     -0.00000
     16       8.6921      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3314      1.00000
      3      -2.9425      1.00000
      4      -1.0845      1.00000
      5       1.1538      1.00000
      6       2.0990      1.00000
      7       2.2609      1.00000
      8       2.9817      1.00387
      9       3.4362     -0.03129
     10       4.2233     -0.00000
     11       4.4858     -0.00000
     12       4.8507     -0.00000
     13       6.2107     -0.00000
     14       6.8526     -0.00000
     15       7.2571     -0.00000
     16       8.7033      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3314      1.00000
      3      -2.9425      1.00000
      4      -1.0845      1.00000
      5       1.1538      1.00000
      6       2.0990      1.00000
      7       2.2609      1.00000
      8       2.9817      1.00387
      9       3.4362     -0.03129
     10       4.2233     -0.00000
     11       4.4858     -0.00000
     12       4.8507     -0.00000
     13       6.2107     -0.00000
     14       6.8526     -0.00000
     15       7.2571     -0.00000
     16       8.7068      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39014
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2300     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39018
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2860     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39015
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2434     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39015
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2499     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39016
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2412     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39015
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.4259     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8773      1.00000
      2      -0.8624      1.00000
      3      -0.8365      1.00000
      4      -0.0262      1.00000
      5       0.0442      1.00000
      6       0.0563      1.00000
      7       1.0855      1.00000
      8       1.0903      1.00000
      9       1.7893      1.00000
     10       2.6813      1.00211
     11       4.0796     -0.00000
     12       4.1149     -0.00000
     13       5.9771     -0.00000
     14       6.0061     -0.00000
     15       6.0631     -0.00000
     16       8.0165     -0.00000
 Fermi energy:         3.1530314754

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8918      1.00000
      2      -9.9934      1.00000
      3      -8.6243      1.00000
      4      -6.7590      1.00000
      5      -4.3303      1.00000
      6      -1.5893      1.00000
      7       1.6250      1.00000
      8       4.6331     -0.00000
      9       5.4117     -0.00000
     10       7.9279     -0.00000
     11       7.9913     -0.00000
     12      11.8923      0.00000
     13      12.1860      0.00000
     14      16.0676      0.00000
     15      16.3242      0.00000
     16      16.4767      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7844      1.00000
      3      -8.4142      1.00000
      4      -6.5472      1.00000
      5      -4.1143      1.00000
      6      -1.3792      1.00000
      7       1.8386      1.00000
      8       4.8159     -0.00000
      9       5.5860     -0.00000
     10       8.0958     -0.00000
     11       8.1563     -0.00000
     12      12.0203      0.00000
     13      12.2819      0.00000
     14      13.1205      0.00000
     15      13.8501      0.00000
     16      14.3300      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7844      1.00000
      3      -8.4142      1.00000
      4      -6.5472      1.00000
      5      -4.1143      1.00000
      6      -1.3792      1.00000
      7       1.8386      1.00000
      8       4.8159     -0.00000
      9       5.5860     -0.00000
     10       8.0958     -0.00000
     11       8.1563     -0.00000
     12      12.0203      0.00000
     13      12.2819      0.00000
     14      13.1205      0.00000
     15      13.8500      0.00000
     16      14.3259      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7844      1.00000
      3      -8.4142      1.00000
      4      -6.5472      1.00000
      5      -4.1143      1.00000
      6      -1.3792      1.00000
      7       1.8386      1.00000
      8       4.8159     -0.00000
      9       5.5860     -0.00000
     10       8.0958     -0.00000
     11       8.1563     -0.00000
     12      12.0203      0.00000
     13      12.2819      0.00000
     14      13.1205      0.00000
     15      13.8518      0.00000
     16      14.3427      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1570      1.00000
      3      -7.7836      1.00000
      4      -5.9116      1.00000
      5      -3.4675      1.00000
      6      -0.7500      1.00000
      7       2.4648      1.00001
      8       5.3473     -0.00000
      9       6.1039     -0.00000
     10       8.4801     -0.00000
     11       8.6281      0.00000
     12       9.7298      0.00000
     13      10.2685      0.00000
     14      11.3719      0.00000
     15      12.5149      0.00000
     16      12.8733      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1570      1.00000
      3      -7.7836      1.00000
      4      -5.9116      1.00000
      5      -3.4675      1.00000
      6      -0.7500      1.00000
      7       2.4648      1.00001
      8       5.3473     -0.00000
      9       6.1039     -0.00000
     10       8.4801     -0.00000
     11       8.6281      0.00000
     12       9.7298      0.00000
     13      10.2685      0.00000
     14      11.3720      0.00000
     15      12.5056      0.00000
     16      12.7729      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1570      1.00000
      3      -7.7836      1.00000
      4      -5.9116      1.00000
      5      -3.4675      1.00000
      6      -0.7500      1.00000
      7       2.4648      1.00001
      8       5.3473     -0.00000
      9       6.1039     -0.00000
     10       8.4801     -0.00000
     11       8.6281      0.00000
     12       9.7298      0.00000
     13      10.2685      0.00000
     14      11.3719      0.00000
     15      12.5100      0.00000
     16      12.8304      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0147      1.00000
      2      -8.1103      1.00000
      3      -6.7314      1.00000
      4      -4.8524      1.00000
      5      -2.3957      1.00000
      6       0.2876      1.00000
      7       3.4216     -0.03366
      8       5.6454     -0.00000
      9       6.5445     -0.00000
     10       6.8629     -0.00000
     11       7.0506     -0.00000
     12       8.0601     -0.00000
     13       9.4038      0.00000
     14       9.5823      0.00000
     15       9.8064      0.00000
     16      11.5961      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0147      1.00000
      2      -8.1103      1.00000
      3      -6.7314      1.00000
      4      -4.8524      1.00000
      5      -2.3957      1.00000
      6       0.2876      1.00000
      7       3.4216     -0.03366
      8       5.6454     -0.00000
      9       6.5445     -0.00000
     10       6.8629     -0.00000
     11       7.0506     -0.00000
     12       8.0601     -0.00000
     13       9.4038      0.00000
     14       9.5823      0.00000
     15       9.8064      0.00000
     16      11.6227      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0147      1.00000
      2      -8.1103      1.00000
      3      -6.7314      1.00000
      4      -4.8524      1.00000
      5      -2.3957      1.00000
      6       0.2876      1.00000
      7       3.4216     -0.03366
      8       5.6454     -0.00000
      9       6.5445     -0.00000
     10       6.8629     -0.00000
     11       7.0506     -0.00000
     12       8.0601     -0.00000
     13       9.4038      0.00000
     14       9.5823      0.00000
     15       9.8064      0.00000
     16      11.6056      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5520      1.00000
      2      -6.6420      1.00000
      3      -5.2562      1.00000
      4      -3.3733      1.00000
      5      -0.9300      1.00000
      6       1.5767      1.00000
      7       2.5463      1.00007
      8       3.5207     -0.01313
      9       4.7967     -0.00000
     10       5.1374     -0.00000
     11       6.5245     -0.00000
     12       7.6548     -0.00000
     13       8.2128     -0.00000
     14       8.7152      0.00000
     15      10.5169      0.00000
     16      10.8324      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5520      1.00000
      2      -6.6420      1.00000
      3      -5.2562      1.00000
      4      -3.3733      1.00000
      5      -0.9300      1.00000
      6       1.5767      1.00000
      7       2.5463      1.00007
      8       3.5207     -0.01313
      9       4.7967     -0.00000
     10       5.1374     -0.00000
     11       6.5245     -0.00000
     12       7.6548     -0.00000
     13       8.2128     -0.00000
     14       8.7152      0.00000
     15      10.5202      0.00000
     16      10.8351      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5520      1.00000
      2      -6.6420      1.00000
      3      -5.2562      1.00000
      4      -3.3733      1.00000
      5      -0.9300      1.00000
      6       1.5767      1.00000
      7       2.5463      1.00007
      8       3.5207     -0.01313
      9       4.7967     -0.00000
     10       5.1374     -0.00000
     11       6.5245     -0.00000
     12       7.6548     -0.00000
     13       8.2128     -0.00000
     14       8.7152      0.00000
     15      10.5197      0.00000
     16      10.8377      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7495      1.00000
      3      -3.3628      1.00000
      4      -1.5207      1.00000
      5      -0.6684      1.00000
      6       0.1134      1.00000
      7       1.1147      1.00000
      8       2.0144      1.00000
      9       3.6485     -0.00129
     10       3.7450     -0.00012
     11       5.9377     -0.00000
     12       6.7131     -0.00000
     13       8.2360     -0.00000
     14       9.1987      0.00000
     15       9.7524      0.00000
     16      10.4882      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7495      1.00000
      3      -3.3628      1.00000
      4      -1.5207      1.00000
      5      -0.6684      1.00000
      6       0.1134      1.00000
      7       1.1147      1.00000
      8       2.0144      1.00000
      9       3.6485     -0.00129
     10       3.7450     -0.00012
     11       5.9377     -0.00000
     12       6.7131     -0.00000
     13       8.2360     -0.00000
     14       9.1987      0.00000
     15       9.7524      0.00000
     16      10.5399      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7495      1.00000
      3      -3.3628      1.00000
      4      -1.5207      1.00000
      5      -0.6684      1.00000
      6       0.1134      1.00000
      7       1.1147      1.00000
      8       2.0144      1.00000
      9       3.6485     -0.00129
     10       3.7450     -0.00012
     11       5.9377     -0.00000
     12       6.7131     -0.00000
     13       8.2360     -0.00000
     14       9.1987      0.00000
     15       9.7526      0.00000
     16      10.5440      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3457      1.00000
      3      -2.4535      1.00000
      4      -2.4389      1.00000
      5      -1.3002      1.00000
      6      -0.9062      1.00000
      7       0.6399      1.00000
      8       1.3831      1.00000
      9       3.3895     -0.03514
     10       3.5296     -0.01161
     11       5.6761     -0.00000
     12       6.0185     -0.00000
     13       8.4118     -0.00000
     14       8.8653      0.00000
     15      10.3449      0.00000
     16      10.6905      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3457      1.00000
      3      -2.4535      1.00000
      4      -2.4389      1.00000
      5      -1.3002      1.00000
      6      -0.9062      1.00000
      7       0.6399      1.00000
      8       1.3831      1.00000
      9       3.3895     -0.03514
     10       3.5296     -0.01161
     11       5.6761     -0.00000
     12       6.0185     -0.00000
     13       8.4118     -0.00000
     14       8.8653      0.00000
     15      10.2567      0.00000
     16      10.5503      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3457      1.00000
      3      -2.4535      1.00000
      4      -2.4389      1.00000
      5      -1.3003      1.00000
      6      -0.9062      1.00000
      7       0.6399      1.00000
      8       1.3831      1.00000
      9       3.3895     -0.03514
     10       3.5296     -0.01161
     11       5.6761     -0.00000
     12       6.0185     -0.00000
     13       8.4118     -0.00000
     14       8.8653      0.00000
     15      10.3918      0.00000
     16      10.5272      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3661      1.00000
      3      -7.9938      1.00000
      4      -6.1235      1.00000
      5      -3.6829      1.00000
      6      -0.9595      1.00000
      7       2.2589      1.00000
      8       5.1748     -0.00000
      9       5.9327     -0.00000
     10       8.4204     -0.00000
     11       8.4644     -0.00000
     12      11.4292      0.00000
     13      11.4437      0.00000
     14      11.8845      0.00000
     15      12.0145      0.00000
     16      12.6600      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3661      1.00000
      3      -7.9938      1.00000
      4      -6.1235      1.00000
      5      -3.6829      1.00000
      6      -0.9595      1.00000
      7       2.2589      1.00000
      8       5.1748     -0.00000
      9       5.9327     -0.00000
     10       8.4204     -0.00000
     11       8.4644     -0.00000
     12      11.4293      0.00000
     13      11.4431      0.00000
     14      11.8863      0.00000
     15      12.0170      0.00000
     16      12.6461      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3661      1.00000
      3      -7.9938      1.00000
      4      -6.1235      1.00000
      5      -3.6829      1.00000
      6      -0.9595      1.00000
      7       2.2589      1.00000
      8       5.1748     -0.00000
      9       5.9327     -0.00000
     10       8.4204     -0.00000
     11       8.4644     -0.00000
     12      11.4292      0.00000
     13      11.4434      0.00000
     14      11.8827      0.00000
     15      12.0415      0.00000
     16      12.7259      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83858
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1816      0.00000
     16      10.7146      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83858
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1821      0.00000
     16      10.7159      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83858
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1817      0.00000
     16      10.7146      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83858
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1815      0.00000
     16      10.7148      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83858
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1817      0.00000
     16      10.7144      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.5292      1.00000
      3      -7.1525      1.00000
      4      -5.2760      1.00000
      5      -2.8231      1.00000
      6      -0.1244      1.00000
      7       3.0641      0.83858
      8       5.8260     -0.00000
      9       6.6012     -0.00000
     10       7.8583     -0.00000
     11       8.5828     -0.00000
     12       9.0034      0.00000
     13       9.4217      0.00000
     14       9.8307      0.00000
     15      10.1816      0.00000
     16      10.7143      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8978      0.00000
     15       9.5945      0.00000
     16      10.0911      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.9021      0.00000
     15       9.6002      0.00000
     16      10.1909      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8998      0.00000
     15       9.5940      0.00000
     16      10.1728      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.9012      0.00000
     15       9.5977      0.00000
     16      10.1742      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8980      0.00000
     15       9.6058      0.00000
     16      10.2772      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1794      1.00000
      2      -7.2719      1.00000
      3      -5.8888      1.00000
      4      -4.0060      1.00000
      5      -1.5484      1.00000
      6       1.0934      1.00000
      7       3.8135     -0.00002
      8       4.6821     -0.00000
      9       5.4007     -0.00000
     10       6.5056     -0.00000
     11       7.0897     -0.00000
     12       7.6969     -0.00000
     13       8.1806     -0.00000
     14       8.8972      0.00000
     15       9.5943      0.00000
     16      10.1756      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1954     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6544      0.00000
     15       9.1025      0.00000
     16       9.1271      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1954     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6544      0.00000
     15       9.1016      0.00000
     16       9.1248      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1954     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9806     -0.00000
     14       8.6537      0.00000
     15       9.1021      0.00000
     16       9.1223      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1954     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6536      0.00000
     15       9.1018      0.00000
     16       9.1234      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1954     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9806     -0.00000
     14       8.6536      0.00000
     15       9.1017      0.00000
     16       9.1218      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5914      1.00000
      3      -4.2028      1.00000
      4      -2.3269      1.00000
      5       0.0202      1.00000
      6       0.9993      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99899
      9       3.5189     -0.01338
     10       5.1954     -0.00000
     11       5.9083     -0.00000
     12       7.3299     -0.00000
     13       7.9805     -0.00000
     14       8.6542      0.00000
     15       9.1018      0.00000
     16       9.1231      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0461      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8380      0.00000
     16       9.6994      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0461      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0170     -0.00000
     15       8.8364      0.00000
     16       9.7058      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0461      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0170     -0.00000
     15       8.8364      0.00000
     16       9.7078      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0461      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0170     -0.00000
     15       8.8364      0.00000
     16       9.7006      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0461      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8364      0.00000
     16       9.6988      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4898      1.00000
      3      -2.1196      1.00000
      4      -1.8948      1.00000
      5      -1.0461      1.00000
      6      -0.3612      1.00000
      7       0.6397      1.00000
      8       2.2915      1.00000
      9       2.6675      1.00156
     10       4.7360     -0.00000
     11       4.9080     -0.00000
     12       7.0268     -0.00000
     13       7.4906     -0.00000
     14       8.0171     -0.00000
     15       8.8363      0.00000
     16       9.7235      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3885      1.00000
      2      -7.4817      1.00000
      3      -6.0996      1.00000
      4      -4.2173      1.00000
      5      -1.7580      1.00000
      6       0.9018      1.00000
      7       3.9613     -0.00000
      8       6.0183     -0.00000
      9       6.4934     -0.00000
     10       7.2250     -0.00000
     11       7.3196     -0.00000
     12       7.4835     -0.00000
     13       7.6008     -0.00000
     14       8.3714     -0.00000
     15       8.7389      0.00000
     16      10.0626      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3885      1.00000
      2      -7.4817      1.00000
      3      -6.0996      1.00000
      4      -4.2173      1.00000
      5      -1.7580      1.00000
      6       0.9018      1.00000
      7       3.9613     -0.00000
      8       6.0183     -0.00000
      9       6.4934     -0.00000
     10       7.2250     -0.00000
     11       7.3196     -0.00000
     12       7.4835     -0.00000
     13       7.6008     -0.00000
     14       8.3713     -0.00000
     15       8.7389      0.00000
     16      10.0566      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3885      1.00000
      2      -7.4817      1.00000
      3      -6.0996      1.00000
      4      -4.2173      1.00000
      5      -1.7580      1.00000
      6       0.9018      1.00000
      7       3.9613     -0.00000
      8       6.0183     -0.00000
      9       6.4934     -0.00000
     10       7.2250     -0.00000
     11       7.3196     -0.00000
     12       7.4835     -0.00000
     13       7.6008     -0.00000
     14       8.3711     -0.00000
     15       8.7389      0.00000
     16      10.0668      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58293
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4182     -0.00000
     16       8.7567      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58292
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4189     -0.00000
     16       8.7573      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58292
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7602     -0.00000
     15       8.4178     -0.00000
     16       8.7584      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58292
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4176     -0.00000
     16       8.7577      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58292
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4185     -0.00000
     16       8.7567      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0125      1.00000
      3      -4.6243      1.00000
      4      -2.7416      1.00000
      5      -0.3099      1.00000
      6       2.1615      1.00000
      7       3.1351      0.58292
      8       4.0954     -0.00000
      9       5.0890     -0.00000
     10       5.3527     -0.00000
     11       5.9063     -0.00000
     12       6.4782     -0.00000
     13       7.0130     -0.00000
     14       7.7601     -0.00000
     15       8.4177     -0.00000
     16       8.7586      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5282     -0.00000
     16       8.8528      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5282     -0.00000
     16       8.8366      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8512      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8576      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8650      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1206      1.00000
      3      -2.7345      1.00000
      4      -0.9028      1.00000
      5      -0.0518      1.00000
      6       0.7154      1.00000
      7       1.7054      1.00000
      8       2.5860      1.00023
      9       4.0703     -0.00000
     10       4.2711     -0.00000
     11       4.8675     -0.00000
     12       5.7248     -0.00000
     13       6.6249     -0.00000
     14       7.3953     -0.00000
     15       7.5281     -0.00000
     16       8.8779      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7415      1.00000
      2      -2.7198      1.00000
      3      -1.8270      1.00000
      4      -1.8197      1.00000
      5      -0.6862      1.00000
      6      -0.2931      1.00000
      7       1.2402      1.00000
      8       1.9747      1.00000
      9       3.7767     -0.00005
     10       3.9059     -0.00000
     11       4.7182     -0.00000
     12       5.7520     -0.00000
     13       6.3942     -0.00000
     14       6.7540     -0.00000
     15       7.1219     -0.00000
     16       8.6952      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7415      1.00000
      2      -2.7198      1.00000
      3      -1.8270      1.00000
      4      -1.8197      1.00000
      5      -0.6862      1.00000
      6      -0.2931      1.00000
      7       1.2402      1.00000
      8       1.9747      1.00000
      9       3.7767     -0.00005
     10       3.9059     -0.00000
     11       4.7182     -0.00000
     12       5.7520     -0.00000
     13       6.3942     -0.00000
     14       6.7540     -0.00000
     15       7.1219     -0.00000
     16       8.6836      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7415      1.00000
      2      -2.7198      1.00000
      3      -1.8270      1.00000
      4      -1.8197      1.00000
      5      -0.6862      1.00000
      6      -0.2931      1.00000
      7       1.2402      1.00000
      8       1.9747      1.00000
      9       3.7767     -0.00005
     10       3.9059     -0.00000
     11       4.7182     -0.00000
     12       5.7520     -0.00000
     13       6.3942     -0.00000
     14       6.7540     -0.00000
     15       7.1219     -0.00000
     16       8.7165      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3315      1.00000
      3      -2.9425      1.00000
      4      -1.0845      1.00000
      5       1.1538      1.00000
      6       2.0990      1.00000
      7       2.2609      1.00000
      8       2.9817      1.00388
      9       3.4362     -0.03129
     10       4.2233     -0.00000
     11       4.4858     -0.00000
     12       4.8507     -0.00000
     13       6.2107     -0.00000
     14       6.8526     -0.00000
     15       7.2571     -0.00000
     16       8.6968      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3315      1.00000
      3      -2.9425      1.00000
      4      -1.0845      1.00000
      5       1.1538      1.00000
      6       2.0990      1.00000
      7       2.2609      1.00000
      8       2.9817      1.00388
      9       3.4362     -0.03129
     10       4.2233     -0.00000
     11       4.4858     -0.00000
     12       4.8507     -0.00000
     13       6.2107     -0.00000
     14       6.8526     -0.00000
     15       7.2571     -0.00000
     16       8.6926      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3315      1.00000
      3      -2.9425      1.00000
      4      -1.0845      1.00000
      5       1.1538      1.00000
      6       2.0990      1.00000
      7       2.2609      1.00000
      8       2.9817      1.00388
      9       3.4362     -0.03129
     10       4.2233     -0.00000
     11       4.4858     -0.00000
     12       4.8507     -0.00000
     13       6.2107     -0.00000
     14       6.8526     -0.00000
     15       7.2571     -0.00000
     16       8.6957      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39020
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2403     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39018
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2674     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39022
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2591     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39021
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.3042     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39019
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2545     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2373      1.00000
      3      -0.8823      1.00000
      4      -0.6495      1.00000
      5       0.1773      1.00000
      6       0.8195      1.00000
      7       1.7549      1.00000
      8       1.8290      1.00000
      9       2.5504      1.00009
     10       3.1794      0.39020
     11       4.1350     -0.00000
     12       4.6572     -0.00000
     13       6.0493     -0.00000
     14       6.1537     -0.00000
     15       6.3714     -0.00000
     16       8.2952     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8773      1.00000
      2      -0.8624      1.00000
      3      -0.8365      1.00000
      4      -0.0262      1.00000
      5       0.0442      1.00000
      6       0.0563      1.00000
      7       1.0855      1.00000
      8       1.0903      1.00000
      9       1.7893      1.00000
     10       2.6813      1.00211
     11       4.0796     -0.00000
     12       4.1149     -0.00000
     13       5.9771     -0.00000
     14       6.0061     -0.00000
     15       6.0631     -0.00000
     16       8.0182     -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010   0.000   5.469  -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  23.496  -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010   0.000   5.469  -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
115.792 -61.848  -0.000  -0.083  -0.000   0.000  -0.023   0.000
-61.848  33.035   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.083   0.035  -0.000   1.743   0.000   0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014   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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   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    421.8270: real time    424.7989
    FORNL :  cpu time      0.5020: real time      0.5072
    FORCOR:  cpu time      1.9722: real time      1.9829
    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
 -----------------------------------------------------------------------------------------------
   0.410E-05 -.265E-05 0.183E+03   0.438E-13 0.277E-13 -.182E+03   -.416E-05 0.286E-05 -.125E+01
   -.483E-06 -.323E-05 0.913E+02   -.790E-15 0.474E-16 -.913E+02   -.281E-06 0.295E-05 0.152E+00
   0.489E-05 -.333E-05 -.540E+00   -.141E-12 -.780E-13 0.545E+00   -.552E-05 0.386E-05 -.443E-03
   0.174E-05 -.402E-05 -.925E+02   0.129E-12 0.734E-13 0.924E+02   -.132E-05 0.504E-05 0.994E-01
   0.692E-05 -.309E-06 -.181E+03   -.410E-13 -.200E-13 0.180E+03   -.737E-05 0.345E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.178E-04 -.144E-04 -.350E-03   -.971E-14 0.313E-14 0.000E+00   -.187E-04 0.151E-04 0.175E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.126891
      0.00000      0.00000      2.33311        -0.000000     -0.000001      0.111647
      1.42873      0.82488      4.65703        -0.000001     -0.000000      0.000965
      2.85746      1.64976      6.97942         0.000001      0.000001      0.004833
      0.00000      0.00000      9.36103         0.000000     -0.000000      0.009445
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000001      0.017901


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90210033 eV

  energy  without entropy=      -13.89660005  energy(sigma->0) =      -13.90026690
 
 d Force = 0.1123904E-04[ 0.101E-04, 0.124E-04]  d Energy = 0.2506927E-04-0.138E-04
 d Force = 0.1973367E+00[ 0.197E+00, 0.197E+00]  d Ewald  = 0.1973367E+00-0.268E-09


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


    POTLOK:  cpu time      1.9731: real time      1.9838


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.548E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.2976
 eigenvalue spectrum of G is  3.2976  3.2976


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


    WAVPRE:  cpu time      0.0060: real time      0.1224
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0837: real time      0.0841
    POTLOK:  cpu time      1.9737: real time      1.9844
    EDDIAG:  cpu time    588.5651: real time    593.3163
    CHARGE:  cpu time      0.2648: real time      0.2670
 writing wavefunctions
     LOOP+:  cpu time   7479.6350: real time   7541.4074


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


    POTLOK:  cpu time      0.7262: real time      0.7315
    SETDIJ:  cpu time      1.2490: real time      1.2542
    TRIAL :  cpu time    582.1132: real time    586.9415
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    584.3686: real time    589.2103

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1028167E-02  (-0.4417953E-02)
 number of electron      15.0000000 magnetization      -0.0000060
 augmentation part       -0.0008743 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.92298880
  -exchange      EXHF   =        33.26907957
  -V(xc)+E(xc)   XCENC  =       -83.54732552
  PAW double counting   =    100963.29103466  -100862.33258927
  entropy T*S    EENTRO =        -0.00547671
  eigenvalues    EBANDS =       -35.19218499
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90107386 eV

  energy without entropy =      -13.89559716  energy(sigma->0) =      -13.89924830
  exchange ACFDT corr.  =        -0.00530674  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7254: real time      0.7308
    SETDIJ:  cpu time      1.2496: real time      1.2548
    TRIAL :  cpu time    586.6962: real time    591.5156
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2660: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    588.9417: real time    593.7738

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4202239E-03  (-0.3621967E-02)
 number of electron      15.0000000 magnetization      -0.0000060
 augmentation part       -0.0008754 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.77907300
  -exchange      EXHF   =        33.26838744
  -V(xc)+E(xc)   XCENC  =       -83.54756136
  PAW double counting   =    100960.01490084  -100859.05642089
  entropy T*S    EENTRO =        -0.00547263
  eigenvalues    EBANDS =       -35.33479015
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90065364 eV

  energy without entropy =      -13.89518101  energy(sigma->0) =      -13.89882943
  exchange ACFDT corr.  =        -0.00530382  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7253: real time      0.7308
    SETDIJ:  cpu time      1.2499: real time      1.2551
    TRIAL :  cpu time    585.9891: real time    590.8251
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    588.2348: real time    593.0836

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1364217E-02  ( 0.5783527E-04)
 number of electron      15.0000000 magnetization      -0.0000059
 augmentation part       -0.0008761 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.77179971
  -exchange      EXHF   =        33.26819693
  -V(xc)+E(xc)   XCENC  =       -83.54763573
  PAW double counting   =    100961.09032825  -100860.13185011
  entropy T*S    EENTRO =        -0.00547286
  eigenvalues    EBANDS =       -35.34316503
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90201786 eV

  energy without entropy =      -13.89654500  energy(sigma->0) =      -13.90019357
  exchange ACFDT corr.  =        -0.00530281  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7253: real time      0.7307
    SETDIJ:  cpu time      1.2484: real time      1.2535
    TRIAL :  cpu time    585.1843: real time    590.0351
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    587.4287: real time    592.2921

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7514849E-04  (-0.7218097E-03)
 number of electron      15.0000000 magnetization      -0.0000058
 augmentation part       -0.0008764 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.79843471
  -exchange      EXHF   =        33.26813204
  -V(xc)+E(xc)   XCENC  =       -83.54765731
  PAW double counting   =    100962.22637473  -100861.26790637
  entropy T*S    EENTRO =        -0.00547359
  eigenvalues    EBANDS =       -35.31635840
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90194271 eV

  energy without entropy =      -13.89646912  energy(sigma->0) =      -13.90011818
  exchange ACFDT corr.  =        -0.00529746  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7300
    SETDIJ:  cpu time      1.2504: real time      1.2556
    TRIAL :  cpu time    584.0223: real time    588.8562
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2659: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    586.2679: real time    591.1144

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1685314E-04  (-0.4663373E-03)
 number of electron      15.0000000 magnetization      -0.0000056
 augmentation part       -0.0008771 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.79746919
  -exchange      EXHF   =        33.26806191
  -V(xc)+E(xc)   XCENC  =       -83.54767753
  PAW double counting   =    100962.80053030  -100861.84207657
  entropy T*S    EENTRO =        -0.00546842
  eigenvalues    EBANDS =       -35.31720136
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90192586 eV

  energy without entropy =      -13.89645743  energy(sigma->0) =      -13.90010305
  exchange ACFDT corr.  =        -0.00529768  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7300
    SETDIJ:  cpu time      1.2505: real time      1.2558
    TRIAL :  cpu time    585.6243: real time    590.4900
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    587.8691: real time    592.7477

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1906509E-03  ( 0.1325330E-04)
 number of electron      15.0000000 magnetization      -0.0000054
 augmentation part       -0.0008771 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.80097959
  -exchange      EXHF   =        33.26812480
  -V(xc)+E(xc)   XCENC  =       -83.54765947
  PAW double counting   =    100964.54909066  -100863.59064997
  entropy T*S    EENTRO =        -0.00546437
  eigenvalues    EBANDS =       -35.31395468
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90211651 eV

  energy without entropy =      -13.89665214  energy(sigma->0) =      -13.90029505
  exchange ACFDT corr.  =        -0.00529272  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7299
    SETDIJ:  cpu time      1.2484: real time      1.2536
    TRIAL :  cpu time    582.9601: real time    587.7628
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2660: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    585.2035: real time    590.0189

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2198639E-04  (-0.1166213E-03)
 number of electron      15.0000000 magnetization      -0.0000052
 augmentation part       -0.0008766 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.79488857
  -exchange      EXHF   =        33.26815344
  -V(xc)+E(xc)   XCENC  =       -83.54764964
  PAW double counting   =    100966.15171255  -100865.19328190
  entropy T*S    EENTRO =        -0.00546329
  eigenvalues    EBANDS =       -35.32005621
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209452 eV

  energy without entropy =      -13.89663123  energy(sigma->0) =      -13.90027342
  exchange ACFDT corr.  =        -0.00529094  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7236: real time      0.7299
    SETDIJ:  cpu time      1.2510: real time      1.2562
    TRIAL :  cpu time    582.1646: real time    586.9520
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2653: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    584.4092: real time    589.2101

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5215217E-05  (-0.5764926E-04)
 number of electron      15.0000000 magnetization      -0.0000050
 augmentation part       -0.0008760 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.79311145
  -exchange      EXHF   =        33.26815872
  -V(xc)+E(xc)   XCENC  =       -83.54764505
  PAW double counting   =    100967.60025438  -100866.64183160
  entropy T*S    EENTRO =        -0.00546176
  eigenvalues    EBANDS =       -35.32184161
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209974 eV

  energy without entropy =      -13.89663797  energy(sigma->0) =      -13.90027915
  exchange ACFDT corr.  =        -0.00529015  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7304
    SETDIJ:  cpu time      1.2512: real time      1.2563
    TRIAL :  cpu time    581.9262: real time    586.7581
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    584.1719: real time    589.0165

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2579228E-04  ( 0.1540979E-05)
 number of electron      15.0000000 magnetization      -0.0000048
 augmentation part       -0.0008753 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.80511383
  -exchange      EXHF   =        33.26820198
  -V(xc)+E(xc)   XCENC  =       -83.54762920
  PAW double counting   =    100969.45059434  -100868.49217624
  entropy T*S    EENTRO =        -0.00546013
  eigenvalues    EBANDS =       -35.30992098
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212553 eV

  energy without entropy =      -13.89666540  energy(sigma->0) =      -13.90030549
  exchange ACFDT corr.  =        -0.00528877  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7300
    SETDIJ:  cpu time      1.2421: real time      1.2472
    TRIAL :  cpu time    586.2629: real time    591.0563
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    588.4999: real time    593.3062

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4418500E-05  (-0.1848269E-04)
 number of electron      15.0000000 magnetization      -0.0000046
 augmentation part       -0.0008745 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.80588559
  -exchange      EXHF   =        33.26819612
  -V(xc)+E(xc)   XCENC  =       -83.54763007
  PAW double counting   =    100970.91791057  -100869.95949466
  entropy T*S    EENTRO =        -0.00545869
  eigenvalues    EBANDS =       -35.30913753
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212111 eV

  energy without entropy =      -13.89666242  energy(sigma->0) =      -13.90030155
  exchange ACFDT corr.  =        -0.00528730  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      8(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7298
    SETDIJ:  cpu time      1.2506: real time      1.2556
    TRIAL :  cpu time    584.6943: real time    589.4973
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    589.7083: real time    594.4550
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1176.6476: real time   1186.2096

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1899520E-05  (-0.7022935E-05)
 number of electron      15.0000000 magnetization      -0.0000044
 augmentation part       -0.0008740 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.95799593
  -Hartree energ DENC   =      -700.79801767
  -exchange      EXHF   =        33.26814776
  -V(xc)+E(xc)   XCENC  =       -83.54764283
  PAW double counting   =    100971.97957130  -100871.02115463
  entropy T*S    EENTRO =        -0.00545714
  eigenvalues    EBANDS =       -35.31695682
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212301 eV

  energy without entropy =      -13.89666587  energy(sigma->0) =      -13.90030396
  exchange ACFDT corr.  =        -0.00528603  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0116


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8987       2 -69.7828       3 -69.7802       4 -69.7776       5 -69.8962
 
 
 
 E-fermi :   3.1530     XC(G=0):  -5.1196     alpha+bet : -8.9779

 Fermi energy:         3.1529821867

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8940      1.00000
      2      -9.9929      1.00000
      3      -8.6237      1.00000
      4      -6.7598      1.00000
      5      -4.3323      1.00000
      6      -1.5906      1.00000
      7       1.6227      1.00000
      8       4.6318     -0.00000
      9       5.4125     -0.00000
     10       7.9281     -0.00000
     11       7.9910     -0.00000
     12      11.8923      0.00000
     13      12.1855      0.00000
     14      16.0634      0.00000
     15      16.1673      0.00000
     16      16.2856      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6855      1.00000
      2      -9.7839      1.00000
      3      -8.4136      1.00000
      4      -6.5480      1.00000
      5      -4.1163      1.00000
      6      -1.3805      1.00000
      7       1.8363      1.00000
      8       4.8146     -0.00000
      9       5.5869     -0.00000
     10       8.0960     -0.00000
     11       8.1559     -0.00000
     12      12.0204      0.00000
     13      12.2815      0.00000
     14      13.1183      0.00000
     15      13.8517      0.00000
     16      14.3399      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6855      1.00000
      2      -9.7839      1.00000
      3      -8.4136      1.00000
      4      -6.5480      1.00000
      5      -4.1163      1.00000
      6      -1.3805      1.00000
      7       1.8363      1.00000
      8       4.8146     -0.00000
      9       5.5869     -0.00000
     10       8.0960     -0.00000
     11       8.1559     -0.00000
     12      12.0204      0.00000
     13      12.2815      0.00000
     14      13.1183      0.00000
     15      13.8501      0.00000
     16      14.4401      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6855      1.00000
      2      -9.7839      1.00000
      3      -8.4136      1.00000
      4      -6.5480      1.00000
      5      -4.1163      1.00000
      6      -1.3805      1.00000
      7       1.8363      1.00000
      8       4.8146     -0.00000
      9       5.5869     -0.00000
     10       8.0960     -0.00000
     11       8.1559     -0.00000
     12      12.0204      0.00000
     13      12.2815      0.00000
     14      13.1183      0.00000
     15      13.8502      0.00000
     16      14.3388      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0600      1.00000
      2      -9.1565      1.00000
      3      -7.7830      1.00000
      4      -5.9124      1.00000
      5      -3.4695      1.00000
      6      -0.7512      1.00000
      7       2.4625      1.00001
      8       5.3460     -0.00000
      9       6.1048     -0.00000
     10       8.4799     -0.00000
     11       8.6281      0.00000
     12       9.7274      0.00000
     13      10.2691      0.00000
     14      11.3728      0.00000
     15      12.5046      0.00000
     16      12.7727      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0600      1.00000
      2      -9.1565      1.00000
      3      -7.7830      1.00000
      4      -5.9124      1.00000
      5      -3.4695      1.00000
      6      -0.7512      1.00000
      7       2.4625      1.00001
      8       5.3460     -0.00000
      9       6.1048     -0.00000
     10       8.4799     -0.00000
     11       8.6281      0.00000
     12       9.7274      0.00000
     13      10.2691      0.00000
     14      11.3728      0.00000
     15      12.5077      0.00000
     16      12.8071      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0600      1.00000
      2      -9.1565      1.00000
      3      -7.7830      1.00000
      4      -5.9124      1.00000
      5      -3.4695      1.00000
      6      -0.7512      1.00000
      7       2.4625      1.00001
      8       5.3460     -0.00000
      9       6.1048     -0.00000
     10       8.4799     -0.00000
     11       8.6281      0.00000
     12       9.7274      0.00000
     13      10.2691      0.00000
     14      11.3728      0.00000
     15      12.5086      0.00000
     16      12.8613      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0169      1.00000
      2      -8.1098      1.00000
      3      -6.7308      1.00000
      4      -4.8532      1.00000
      5      -2.3976      1.00000
      6       0.2864      1.00000
      7       3.4196     -0.03389
      8       5.6437     -0.00000
      9       6.5437     -0.00000
     10       6.8627     -0.00000
     11       7.0514     -0.00000
     12       8.0608     -0.00000
     13       9.4039      0.00000
     14       9.5818      0.00000
     15       9.8059      0.00000
     16      11.5916      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0169      1.00000
      2      -8.1098      1.00000
      3      -6.7308      1.00000
      4      -4.8532      1.00000
      5      -2.3976      1.00000
      6       0.2864      1.00000
      7       3.4196     -0.03389
      8       5.6437     -0.00000
      9       6.5437     -0.00000
     10       6.8627     -0.00000
     11       7.0514     -0.00000
     12       8.0608     -0.00000
     13       9.4039      0.00000
     14       9.5818      0.00000
     15       9.8059      0.00000
     16      11.5992      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0169      1.00000
      2      -8.1098      1.00000
      3      -6.7308      1.00000
      4      -4.8532      1.00000
      5      -2.3976      1.00000
      6       0.2864      1.00000
      7       3.4196     -0.03389
      8       5.6437     -0.00000
      9       6.5437     -0.00000
     10       6.8627     -0.00000
     11       7.0514     -0.00000
     12       8.0608     -0.00000
     13       9.4039      0.00000
     14       9.5818      0.00000
     15       9.8059      0.00000
     16      11.6239      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5542      1.00000
      2      -6.6414      1.00000
      3      -5.2555      1.00000
      4      -3.3741      1.00000
      5      -0.9319      1.00000
      6       1.5755      1.00000
      7       2.5448      1.00008
      8       3.5209     -0.01293
      9       4.7975     -0.00000
     10       5.1354     -0.00000
     11       6.5238     -0.00000
     12       7.6537     -0.00000
     13       8.2136     -0.00000
     14       8.7135      0.00000
     15      10.5173      0.00000
     16      10.8314      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5542      1.00000
      2      -6.6414      1.00000
      3      -5.2555      1.00000
      4      -3.3741      1.00000
      5      -0.9319      1.00000
      6       1.5755      1.00000
      7       2.5448      1.00008
      8       3.5209     -0.01293
      9       4.7975     -0.00000
     10       5.1354     -0.00000
     11       6.5238     -0.00000
     12       7.6537     -0.00000
     13       8.2136     -0.00000
     14       8.7135      0.00000
     15      10.5176      0.00000
     16      10.8309      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5542      1.00000
      2      -6.6414      1.00000
      3      -5.2555      1.00000
      4      -3.3741      1.00000
      5      -0.9319      1.00000
      6       1.5755      1.00000
      7       2.5448      1.00008
      8       3.5209     -0.01293
      9       4.7975     -0.00000
     10       5.1354     -0.00000
     11       6.5238     -0.00000
     12       7.6537     -0.00000
     13       8.2136     -0.00000
     14       8.7135      0.00000
     15      10.5173      0.00000
     16      10.8303      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7490      1.00000
      3      -3.3621      1.00000
      4      -1.5213      1.00000
      5      -0.6706      1.00000
      6       0.1138      1.00000
      7       1.1142      1.00000
      8       2.0145      1.00000
      9       3.6483     -0.00129
     10       3.7434     -0.00012
     11       5.9360     -0.00000
     12       6.7114     -0.00000
     13       8.2349     -0.00000
     14       9.1978      0.00000
     15       9.7534      0.00000
     16      10.6142      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7490      1.00000
      3      -3.3621      1.00000
      4      -1.5213      1.00000
      5      -0.6706      1.00000
      6       0.1138      1.00000
      7       1.1142      1.00000
      8       2.0145      1.00000
      9       3.6483     -0.00129
     10       3.7434     -0.00012
     11       5.9360     -0.00000
     12       6.7114     -0.00000
     13       8.2349     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.4048      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7490      1.00000
      3      -3.3621      1.00000
      4      -1.5213      1.00000
      5      -0.6706      1.00000
      6       0.1138      1.00000
      7       1.1142      1.00000
      8       2.0145      1.00000
      9       3.6483     -0.00129
     10       3.7434     -0.00012
     11       5.9360     -0.00000
     12       6.7114     -0.00000
     13       8.2349     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.4571      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3698      1.00000
      2      -3.3475      1.00000
      3      -2.4529      1.00000
      4      -2.4383      1.00000
      5      -1.2993      1.00000
      6      -0.9055      1.00000
      7       0.6396      1.00000
      8       1.3823      1.00000
      9       3.3882     -0.03508
     10       3.5273     -0.01176
     11       5.6753     -0.00000
     12       6.0173     -0.00000
     13       8.4101     -0.00000
     14       8.8639      0.00000
     15      10.2338      0.00000
     16      10.5397      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3698      1.00000
      2      -3.3475      1.00000
      3      -2.4529      1.00000
      4      -2.4383      1.00000
      5      -1.2993      1.00000
      6      -0.9055      1.00000
      7       0.6396      1.00000
      8       1.3823      1.00000
      9       3.3882     -0.03508
     10       3.5273     -0.01176
     11       5.6753     -0.00000
     12       6.0173     -0.00000
     13       8.4101     -0.00000
     14       8.8639      0.00000
     15      10.2389      0.00000
     16      10.5683      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3698      1.00000
      2      -3.3475      1.00000
      3      -2.4529      1.00000
      4      -2.4383      1.00000
      5      -1.2993      1.00000
      6      -0.9055      1.00000
      7       0.6396      1.00000
      8       1.3823      1.00000
      9       3.3882     -0.03508
     10       3.5273     -0.01176
     11       5.6753     -0.00000
     12       6.0173     -0.00000
     13       8.4101     -0.00000
     14       8.8639      0.00000
     15      10.2322      0.00000
     16      10.5389      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2686      1.00000
      2      -9.3656      1.00000
      3      -7.9932      1.00000
      4      -6.1243      1.00000
      5      -3.6849      1.00000
      6      -0.9607      1.00000
      7       2.2566      1.00000
      8       5.1735     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4641     -0.00000
     12      11.4259      0.00000
     13      11.4423      0.00000
     14      11.8845      0.00000
     15      12.0113      0.00000
     16      12.6632      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2686      1.00000
      2      -9.3656      1.00000
      3      -7.9932      1.00000
      4      -6.1243      1.00000
      5      -3.6849      1.00000
      6      -0.9607      1.00000
      7       2.2566      1.00000
      8       5.1735     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4641     -0.00000
     12      11.4259      0.00000
     13      11.4453      0.00000
     14      11.8855      0.00000
     15      12.0109      0.00000
     16      12.6663      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2686      1.00000
      2      -9.3656      1.00000
      3      -7.9932      1.00000
      4      -6.1243      1.00000
      5      -3.6849      1.00000
      6      -0.9607      1.00000
      7       2.2566      1.00000
      8       5.1735     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4641     -0.00000
     12      11.4259      0.00000
     13      11.4414      0.00000
     14      11.8859      0.00000
     15      12.0146      0.00000
     16      12.6623      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84406
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7162      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84406
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1792      0.00000
     16      10.7153      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84406
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7158      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84406
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7154      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84406
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7165      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84406
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8314      0.00000
     15      10.1793      0.00000
     16      10.7151      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5060     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8962      0.00000
     15       9.5971      0.00000
     16      10.1898      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8119     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5060     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8959      0.00000
     15       9.5997      0.00000
     16      10.0737      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5060     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8979      0.00000
     15       9.6040      0.00000
     16      10.2625      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5060     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.9013      0.00000
     15       9.5976      0.00000
     16      10.2564      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5060     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8960      0.00000
     15       9.5954      0.00000
     16      10.1110      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8119     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5060     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8990      0.00000
     15       9.9395      0.00000
     16      10.2144      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6533      0.00000
     15       9.1011      0.00000
     16       9.1251      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6530      0.00000
     15       9.1011      0.00000
     16       9.1246      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6527      0.00000
     15       9.1011      0.00000
     16       9.1226      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6528      0.00000
     15       9.1011      0.00000
     16       9.1239      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6533      0.00000
     15       9.1012      0.00000
     16       9.1256      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6528      0.00000
     15       9.1016      0.00000
     16       9.1227      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00155
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.7028      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.7185      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8387      0.00000
     16       9.7299      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00155
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.6984      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.6972      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8365      0.00000
     16       9.7323      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3907      1.00000
      2      -7.4812      1.00000
      3      -6.0990      1.00000
      4      -4.2181      1.00000
      5      -1.7600      1.00000
      6       0.9007      1.00000
      7       3.9595     -0.00000
      8       6.0167     -0.00000
      9       6.4918     -0.00000
     10       7.2249     -0.00000
     11       7.3188     -0.00000
     12       7.4832     -0.00000
     13       7.6017     -0.00000
     14       8.3727     -0.00000
     15       8.7396      0.00000
     16      10.0590      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3907      1.00000
      2      -7.4812      1.00000
      3      -6.0990      1.00000
      4      -4.2181      1.00000
      5      -1.7600      1.00000
      6       0.9007      1.00000
      7       3.9595     -0.00000
      8       6.0167     -0.00000
      9       6.4918     -0.00000
     10       7.2249     -0.00000
     11       7.3188     -0.00000
     12       7.4832     -0.00000
     13       7.6017     -0.00000
     14       8.3727     -0.00000
     15       8.7391      0.00000
     16      10.0635      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3907      1.00000
      2      -7.4812      1.00000
      3      -6.0990      1.00000
      4      -4.2181      1.00000
      5      -1.7600      1.00000
      6       0.9007      1.00000
      7       3.9595     -0.00000
      8       6.0167     -0.00000
      9       6.4918     -0.00000
     10       7.2249     -0.00000
     11       7.3188     -0.00000
     12       7.4832     -0.00000
     13       7.6017     -0.00000
     14       8.3726     -0.00000
     15       8.7391      0.00000
     16      10.0548      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57894
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4168     -0.00000
     16       8.7575      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57894
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4169     -0.00000
     16       8.7589      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57895
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4172     -0.00000
     16       8.7579      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57894
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4173     -0.00000
     16       8.7578      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57895
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4168     -0.00000
     16       8.7591      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57894
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4169     -0.00000
     16       8.7574      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8462      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3953     -0.00000
     15       7.5263     -0.00000
     16       8.8500      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8479      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8712      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8793      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8812      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7440      1.00000
      2      -2.7215      1.00000
      3      -1.8268      1.00000
      4      -1.8188      1.00000
      5      -0.6852      1.00000
      6      -0.2924      1.00000
      7       1.2400      1.00000
      8       1.9739      1.00000
      9       3.7753     -0.00005
     10       3.9036     -0.00000
     11       4.7170     -0.00000
     12       5.7521     -0.00000
     13       6.3936     -0.00000
     14       6.7527     -0.00000
     15       7.1225     -0.00000
     16       8.7647      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7440      1.00000
      2      -2.7215      1.00000
      3      -1.8268      1.00000
      4      -1.8188      1.00000
      5      -0.6852      1.00000
      6      -0.2924      1.00000
      7       1.2400      1.00000
      8       1.9739      1.00000
      9       3.7753     -0.00005
     10       3.9036     -0.00000
     11       4.7170     -0.00000
     12       5.7521     -0.00000
     13       6.3936     -0.00000
     14       6.7528     -0.00000
     15       7.1225     -0.00000
     16       8.7296      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7440      1.00000
      2      -2.7215      1.00000
      3      -1.8268      1.00000
      4      -1.8188      1.00000
      5      -0.6852      1.00000
      6      -0.2924      1.00000
      7       1.2400      1.00000
      8       1.9739      1.00000
      9       3.7753     -0.00005
     10       3.9036     -0.00000
     11       4.7170     -0.00000
     12       5.7521     -0.00000
     13       6.3936     -0.00000
     14       6.7527     -0.00000
     15       7.1225     -0.00000
     16       8.7256      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2505      1.00000
      2      -4.3309      1.00000
      3      -2.9418      1.00000
      4      -1.0851      1.00000
      5       1.1519      1.00000
      6       2.0966      1.00000
      7       2.2601      1.00000
      8       2.9822      1.00260
      9       3.4363     -0.03108
     10       4.2244     -0.00000
     11       4.4850     -0.00000
     12       4.8511     -0.00000
     13       6.2104     -0.00000
     14       6.8517     -0.00000
     15       7.2553     -0.00000
     16       8.6898      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2505      1.00000
      2      -4.3309      1.00000
      3      -2.9418      1.00000
      4      -1.0851      1.00000
      5       1.1519      1.00000
      6       2.0966      1.00000
      7       2.2601      1.00000
      8       2.9822      1.00261
      9       3.4363     -0.03108
     10       4.2244     -0.00000
     11       4.4850     -0.00000
     12       4.8511     -0.00000
     13       6.2104     -0.00000
     14       6.8517     -0.00000
     15       7.2553     -0.00000
     16       8.6998      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2505      1.00000
      2      -4.3309      1.00000
      3      -2.9418      1.00000
      4      -1.0851      1.00000
      5       1.1519      1.00000
      6       2.0966      1.00000
      7       2.2601      1.00000
      8       2.9822      1.00261
      9       3.4363     -0.03108
     10       4.2244     -0.00000
     11       4.4850     -0.00000
     12       4.8511     -0.00000
     13       6.2104     -0.00000
     14       6.8517     -0.00000
     15       7.2553     -0.00000
     16       8.7030      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38916
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2284     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38919
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2716     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38917
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2391     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38917
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2427     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38918
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2366     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38917
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.4194     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8815      1.00000
      2      -0.8627      1.00000
      3      -0.8385      1.00000
      4      -0.0256      1.00000
      5       0.0411      1.00000
      6       0.0601      1.00000
      7       1.0858      1.00000
      8       1.0923      1.00000
      9       1.7900      1.00000
     10       2.6809      1.00211
     11       4.0881     -0.00000
     12       4.1051     -0.00000
     13       5.9767     -0.00000
     14       6.0036     -0.00000
     15       6.0608     -0.00000
     16       8.0156     -0.00000
 Fermi energy:         3.1529821867

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8940      1.00000
      2      -9.9929      1.00000
      3      -8.6237      1.00000
      4      -6.7598      1.00000
      5      -4.3323      1.00000
      6      -1.5906      1.00000
      7       1.6227      1.00000
      8       4.6317     -0.00000
      9       5.4125     -0.00000
     10       7.9281     -0.00000
     11       7.9910     -0.00000
     12      11.8923      0.00000
     13      12.1855      0.00000
     14      16.0631      0.00000
     15      16.2762      0.00000
     16      16.4100      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6855      1.00000
      2      -9.7839      1.00000
      3      -8.4136      1.00000
      4      -6.5480      1.00000
      5      -4.1163      1.00000
      6      -1.3805      1.00000
      7       1.8363      1.00000
      8       4.8146     -0.00000
      9       5.5869     -0.00000
     10       8.0960     -0.00000
     11       8.1559     -0.00000
     12      12.0204      0.00000
     13      12.2815      0.00000
     14      13.1183      0.00000
     15      13.8505      0.00000
     16      14.3259      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6855      1.00000
      2      -9.7839      1.00000
      3      -8.4136      1.00000
      4      -6.5480      1.00000
      5      -4.1163      1.00000
      6      -1.3805      1.00000
      7       1.8363      1.00000
      8       4.8146     -0.00000
      9       5.5869     -0.00000
     10       8.0960     -0.00000
     11       8.1559     -0.00000
     12      12.0204      0.00000
     13      12.2815      0.00000
     14      13.1183      0.00000
     15      13.8504      0.00000
     16      14.3230      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6855      1.00000
      2      -9.7839      1.00000
      3      -8.4136      1.00000
      4      -6.5480      1.00000
      5      -4.1163      1.00000
      6      -1.3805      1.00000
      7       1.8363      1.00000
      8       4.8146     -0.00000
      9       5.5869     -0.00000
     10       8.0960     -0.00000
     11       8.1559     -0.00000
     12      12.0204      0.00000
     13      12.2815      0.00000
     14      13.1183      0.00000
     15      13.8513      0.00000
     16      14.3340      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0600      1.00000
      2      -9.1565      1.00000
      3      -7.7830      1.00000
      4      -5.9124      1.00000
      5      -3.4695      1.00000
      6      -0.7513      1.00000
      7       2.4625      1.00001
      8       5.3460     -0.00000
      9       6.1048     -0.00000
     10       8.4799     -0.00000
     11       8.6281      0.00000
     12       9.7274      0.00000
     13      10.2691      0.00000
     14      11.3728      0.00000
     15      12.5131      0.00000
     16      12.8613      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0600      1.00000
      2      -9.1565      1.00000
      3      -7.7830      1.00000
      4      -5.9124      1.00000
      5      -3.4695      1.00000
      6      -0.7513      1.00000
      7       2.4625      1.00001
      8       5.3460     -0.00000
      9       6.1048     -0.00000
     10       8.4799     -0.00000
     11       8.6281      0.00000
     12       9.7274      0.00000
     13      10.2691      0.00000
     14      11.3728      0.00000
     15      12.5050      0.00000
     16      12.7714      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0600      1.00000
      2      -9.1565      1.00000
      3      -7.7830      1.00000
      4      -5.9124      1.00000
      5      -3.4695      1.00000
      6      -0.7513      1.00000
      7       2.4625      1.00001
      8       5.3460     -0.00000
      9       6.1048     -0.00000
     10       8.4799     -0.00000
     11       8.6281      0.00000
     12       9.7274      0.00000
     13      10.2691      0.00000
     14      11.3728      0.00000
     15      12.5087      0.00000
     16      12.8245      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0169      1.00000
      2      -8.1098      1.00000
      3      -6.7308      1.00000
      4      -4.8532      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4196     -0.03389
      8       5.6437     -0.00000
      9       6.5437     -0.00000
     10       6.8627     -0.00000
     11       7.0514     -0.00000
     12       8.0608     -0.00000
     13       9.4039      0.00000
     14       9.5818      0.00000
     15       9.8059      0.00000
     16      11.5938      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0169      1.00000
      2      -8.1098      1.00000
      3      -6.7308      1.00000
      4      -4.8532      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4196     -0.03389
      8       5.6437     -0.00000
      9       6.5437     -0.00000
     10       6.8627     -0.00000
     11       7.0514     -0.00000
     12       8.0608     -0.00000
     13       9.4039      0.00000
     14       9.5818      0.00000
     15       9.8059      0.00000
     16      11.6171      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0169      1.00000
      2      -8.1098      1.00000
      3      -6.7308      1.00000
      4      -4.8532      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4196     -0.03389
      8       5.6437     -0.00000
      9       6.5437     -0.00000
     10       6.8627     -0.00000
     11       7.0514     -0.00000
     12       8.0608     -0.00000
     13       9.4039      0.00000
     14       9.5818      0.00000
     15       9.8059      0.00000
     16      11.6020      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5542      1.00000
      2      -6.6414      1.00000
      3      -5.2555      1.00000
      4      -3.3741      1.00000
      5      -0.9319      1.00000
      6       1.5755      1.00000
      7       2.5448      1.00008
      8       3.5209     -0.01293
      9       4.7975     -0.00000
     10       5.1354     -0.00000
     11       6.5238     -0.00000
     12       7.6537     -0.00000
     13       8.2136     -0.00000
     14       8.7134      0.00000
     15      10.5165      0.00000
     16      10.8311      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5542      1.00000
      2      -6.6414      1.00000
      3      -5.2555      1.00000
      4      -3.3741      1.00000
      5      -0.9319      1.00000
      6       1.5755      1.00000
      7       2.5448      1.00008
      8       3.5209     -0.01293
      9       4.7975     -0.00000
     10       5.1354     -0.00000
     11       6.5238     -0.00000
     12       7.6537     -0.00000
     13       8.2136     -0.00000
     14       8.7135      0.00000
     15      10.5191      0.00000
     16      10.8338      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5542      1.00000
      2      -6.6414      1.00000
      3      -5.2555      1.00000
      4      -3.3741      1.00000
      5      -0.9319      1.00000
      6       1.5755      1.00000
      7       2.5448      1.00008
      8       3.5209     -0.01293
      9       4.7975     -0.00000
     10       5.1354     -0.00000
     11       6.5238     -0.00000
     12       7.6537     -0.00000
     13       8.2136     -0.00000
     14       8.7135      0.00000
     15      10.5187      0.00000
     16      10.8351      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7490      1.00000
      3      -3.3621      1.00000
      4      -1.5213      1.00000
      5      -0.6706      1.00000
      6       0.1138      1.00000
      7       1.1142      1.00000
      8       2.0145      1.00000
      9       3.6483     -0.00129
     10       3.7434     -0.00012
     11       5.9360     -0.00000
     12       6.7114     -0.00000
     13       8.2349     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.4699      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7490      1.00000
      3      -3.3621      1.00000
      4      -1.5213      1.00000
      5      -0.6706      1.00000
      6       0.1138      1.00000
      7       1.1142      1.00000
      8       2.0145      1.00000
      9       3.6483     -0.00129
     10       3.7434     -0.00012
     11       5.9360     -0.00000
     12       6.7114     -0.00000
     13       8.2349     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.5180      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7490      1.00000
      3      -3.3621      1.00000
      4      -1.5213      1.00000
      5      -0.6706      1.00000
      6       0.1138      1.00000
      7       1.1142      1.00000
      8       2.0145      1.00000
      9       3.6483     -0.00129
     10       3.7434     -0.00012
     11       5.9360     -0.00000
     12       6.7114     -0.00000
     13       8.2349     -0.00000
     14       9.1977      0.00000
     15       9.7534      0.00000
     16      10.5226      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3698      1.00000
      2      -3.3475      1.00000
      3      -2.4529      1.00000
      4      -2.4383      1.00000
      5      -1.2993      1.00000
      6      -0.9055      1.00000
      7       0.6396      1.00000
      8       1.3823      1.00000
      9       3.3882     -0.03508
     10       3.5273     -0.01176
     11       5.6753     -0.00000
     12       6.0173     -0.00000
     13       8.4101     -0.00000
     14       8.8639      0.00000
     15      10.3013      0.00000
     16      10.6487      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3698      1.00000
      2      -3.3475      1.00000
      3      -2.4529      1.00000
      4      -2.4383      1.00000
      5      -1.2993      1.00000
      6      -0.9055      1.00000
      7       0.6396      1.00000
      8       1.3823      1.00000
      9       3.3882     -0.03508
     10       3.5273     -0.01176
     11       5.6753     -0.00000
     12       6.0173     -0.00000
     13       8.4101     -0.00000
     14       8.8639      0.00000
     15      10.2349      0.00000
     16      10.5430      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3698      1.00000
      2      -3.3475      1.00000
      3      -2.4529      1.00000
      4      -2.4383      1.00000
      5      -1.2993      1.00000
      6      -0.9055      1.00000
      7       0.6396      1.00000
      8       1.3823      1.00000
      9       3.3882     -0.03508
     10       3.5273     -0.01176
     11       5.6753     -0.00000
     12       6.0173     -0.00000
     13       8.4101     -0.00000
     14       8.8639      0.00000
     15      10.2905      0.00000
     16      10.5400      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2686      1.00000
      2      -9.3656      1.00000
      3      -7.9932      1.00000
      4      -6.1243      1.00000
      5      -3.6849      1.00000
      6      -0.9607      1.00000
      7       2.2566      1.00000
      8       5.1735     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4641     -0.00000
     12      11.4257      0.00000
     13      11.4414      0.00000
     14      11.8847      0.00000
     15      12.0134      0.00000
     16      12.6555      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2686      1.00000
      2      -9.3656      1.00000
      3      -7.9932      1.00000
      4      -6.1243      1.00000
      5      -3.6849      1.00000
      6      -0.9607      1.00000
      7       2.2566      1.00000
      8       5.1735     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4641     -0.00000
     12      11.4258      0.00000
     13      11.4413      0.00000
     14      11.8859      0.00000
     15      12.0140      0.00000
     16      12.6411      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2686      1.00000
      2      -9.3656      1.00000
      3      -7.9932      1.00000
      4      -6.1243      1.00000
      5      -3.6849      1.00000
      6      -0.9607      1.00000
      7       2.2566      1.00000
      8       5.1735     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4641     -0.00000
     12      11.4257      0.00000
     13      11.4416      0.00000
     14      11.8836      0.00000
     15      12.0335      0.00000
     16      12.7180      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84407
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7152      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84407
      8       5.8247     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1795      0.00000
     16      10.7163      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84407
      8       5.8247     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8314      0.00000
     15      10.1794      0.00000
     16      10.7151      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84407
      8       5.8247     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1792      0.00000
     16      10.7151      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84407
      8       5.8247     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7153      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4343      1.00000
      2      -8.5287      1.00000
      3      -7.1519      1.00000
      4      -5.2768      1.00000
      5      -2.8251      1.00000
      6      -0.1256      1.00000
      7       3.0619      0.84407
      8       5.8248     -0.00000
      9       6.6020     -0.00000
     10       7.8566     -0.00000
     11       8.5830     -0.00000
     12       9.0033      0.00000
     13       9.4212      0.00000
     14       9.8315      0.00000
     15      10.1793      0.00000
     16      10.7151      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5059     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8958      0.00000
     15       9.5941      0.00000
     16      10.0760      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5059     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8978      0.00000
     15       9.5968      0.00000
     16      10.1794      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5059     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8964      0.00000
     15       9.5941      0.00000
     16      10.1549      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5059     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8971      0.00000
     15       9.5956      0.00000
     16      10.1552      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5059     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8960      0.00000
     15       9.6014      0.00000
     16      10.2759      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1816      1.00000
      2      -7.2713      1.00000
      3      -5.8881      1.00000
      4      -4.0067      1.00000
      5      -1.5503      1.00000
      6       1.0923      1.00000
      7       3.8118     -0.00002
      8       4.6803     -0.00000
      9       5.4010     -0.00000
     10       6.5059     -0.00000
     11       7.0888     -0.00000
     12       7.6978     -0.00000
     13       8.1800     -0.00000
     14       8.8956      0.00000
     15       9.5941      0.00000
     16      10.1665      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6531      0.00000
     15       9.1020      0.00000
     16       9.1243      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6531      0.00000
     15       9.1010      0.00000
     16       9.1250      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6527      0.00000
     15       9.1013      0.00000
     16       9.1228      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6527      0.00000
     15       9.1013      0.00000
     16       9.1233      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6527      0.00000
     15       9.1010      0.00000
     16       9.1227      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5074      1.00000
      2      -5.5909      1.00000
      3      -4.2021      1.00000
      4      -2.3275      1.00000
      5       0.0183      1.00000
      6       0.9976      1.00000
      7       1.9738      1.00000
      8       2.9852      0.99893
      9       3.5194     -0.01329
     10       5.1948     -0.00000
     11       5.9066     -0.00000
     12       7.3281     -0.00000
     13       7.9791     -0.00000
     14       8.6529      0.00000
     15       9.1011      0.00000
     16       9.1235      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8366      0.00000
     16       9.6974      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.7030      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.7041      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.6984      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.6972      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4892      1.00000
      3      -2.1189      1.00000
      4      -1.8970      1.00000
      5      -1.0455      1.00000
      6      -0.3613      1.00000
      7       0.6402      1.00000
      8       2.2906      1.00000
      9       2.6660      1.00154
     10       4.7345     -0.00000
     11       4.9067     -0.00000
     12       7.0257     -0.00000
     13       7.4892     -0.00000
     14       8.0157     -0.00000
     15       8.8360      0.00000
     16       9.7173      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3907      1.00000
      2      -7.4812      1.00000
      3      -6.0990      1.00000
      4      -4.2181      1.00000
      5      -1.7600      1.00000
      6       0.9007      1.00000
      7       3.9594     -0.00000
      8       6.0167     -0.00000
      9       6.4918     -0.00000
     10       7.2249     -0.00000
     11       7.3188     -0.00000
     12       7.4832     -0.00000
     13       7.6017     -0.00000
     14       8.3727     -0.00000
     15       8.7391      0.00000
     16      10.0604      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3907      1.00000
      2      -7.4812      1.00000
      3      -6.0990      1.00000
      4      -4.2181      1.00000
      5      -1.7600      1.00000
      6       0.9007      1.00000
      7       3.9594     -0.00000
      8       6.0167     -0.00000
      9       6.4918     -0.00000
     10       7.2249     -0.00000
     11       7.3188     -0.00000
     12       7.4832     -0.00000
     13       7.6017     -0.00000
     14       8.3726     -0.00000
     15       8.7391      0.00000
     16      10.0545      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3907      1.00000
      2      -7.4812      1.00000
      3      -6.0990      1.00000
      4      -4.2181      1.00000
      5      -1.7600      1.00000
      6       0.9007      1.00000
      7       3.9595     -0.00000
      8       6.0167     -0.00000
      9       6.4918     -0.00000
     10       7.2249     -0.00000
     11       7.3188     -0.00000
     12       7.4832     -0.00000
     13       7.6017     -0.00000
     14       8.3726     -0.00000
     15       8.7391      0.00000
     16      10.0650      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57896
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4170     -0.00000
     16       8.7574      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57895
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4172     -0.00000
     16       8.7579      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57895
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4167     -0.00000
     16       8.7585      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57896
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4167     -0.00000
     16       8.7581      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57895
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4172     -0.00000
     16       8.7574      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9270      1.00000
      2      -6.0120      1.00000
      3      -4.6236      1.00000
      4      -2.7423      1.00000
      5      -0.3118      1.00000
      6       2.1604      1.00000
      7       3.1336      0.57895
      8       4.0956     -0.00000
      9       5.0874     -0.00000
     10       5.3533     -0.00000
     11       5.9047     -0.00000
     12       6.4786     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4168     -0.00000
     16       8.7588      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8503      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8337      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3953     -0.00000
     15       7.5263     -0.00000
     16       8.8502      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3953     -0.00000
     15       7.5263     -0.00000
     16       8.8559      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8633      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.1200      1.00000
      3      -2.7338      1.00000
      4      -0.9035      1.00000
      5      -0.0540      1.00000
      6       0.7158      1.00000
      7       1.7048      1.00000
      8       2.5860      1.00023
      9       4.0699     -0.00000
     10       4.2697     -0.00000
     11       4.8660     -0.00000
     12       5.7247     -0.00000
     13       6.6246     -0.00000
     14       7.3952     -0.00000
     15       7.5263     -0.00000
     16       8.8755      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7440      1.00000
      2      -2.7215      1.00000
      3      -1.8268      1.00000
      4      -1.8188      1.00000
      5      -0.6852      1.00000
      6      -0.2924      1.00000
      7       1.2400      1.00000
      8       1.9739      1.00000
      9       3.7753     -0.00005
     10       3.9036     -0.00000
     11       4.7170     -0.00000
     12       5.7521     -0.00000
     13       6.3936     -0.00000
     14       6.7527     -0.00000
     15       7.1225     -0.00000
     16       8.6868      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7440      1.00000
      2      -2.7215      1.00000
      3      -1.8268      1.00000
      4      -1.8188      1.00000
      5      -0.6852      1.00000
      6      -0.2924      1.00000
      7       1.2400      1.00000
      8       1.9739      1.00000
      9       3.7753     -0.00005
     10       3.9036     -0.00000
     11       4.7170     -0.00000
     12       5.7521     -0.00000
     13       6.3936     -0.00000
     14       6.7527     -0.00000
     15       7.1225     -0.00000
     16       8.6802      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7440      1.00000
      2      -2.7215      1.00000
      3      -1.8268      1.00000
      4      -1.8188      1.00000
      5      -0.6852      1.00000
      6      -0.2924      1.00000
      7       1.2400      1.00000
      8       1.9739      1.00000
      9       3.7753     -0.00005
     10       3.9036     -0.00000
     11       4.7170     -0.00000
     12       5.7521     -0.00000
     13       6.3936     -0.00000
     14       6.7527     -0.00000
     15       7.1225     -0.00000
     16       8.7065      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2505      1.00000
      2      -4.3309      1.00000
      3      -2.9418      1.00000
      4      -1.0851      1.00000
      5       1.1519      1.00000
      6       2.0966      1.00000
      7       2.2601      1.00000
      8       2.9822      1.00261
      9       3.4363     -0.03108
     10       4.2243     -0.00000
     11       4.4850     -0.00000
     12       4.8511     -0.00000
     13       6.2104     -0.00000
     14       6.8517     -0.00000
     15       7.2553     -0.00000
     16       8.6939      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2505      1.00000
      2      -4.3309      1.00000
      3      -2.9418      1.00000
      4      -1.0851      1.00000
      5       1.1519      1.00000
      6       2.0966      1.00000
      7       2.2601      1.00000
      8       2.9822      1.00261
      9       3.4363     -0.03108
     10       4.2243     -0.00000
     11       4.4850     -0.00000
     12       4.8511     -0.00000
     13       6.2104     -0.00000
     14       6.8517     -0.00000
     15       7.2553     -0.00000
     16       8.6903      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2505      1.00000
      2      -4.3309      1.00000
      3      -2.9418      1.00000
      4      -1.0851      1.00000
      5       1.1519      1.00000
      6       2.0966      1.00000
      7       2.2601      1.00000
      8       2.9822      1.00261
      9       3.4363     -0.03108
     10       4.2243     -0.00000
     11       4.4850     -0.00000
     12       4.8511     -0.00000
     13       6.2104     -0.00000
     14       6.8517     -0.00000
     15       7.2553     -0.00000
     16       8.6931      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38920
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2363     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38919
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2564     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38921
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2499     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38921
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2873     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38920
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2466     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1523      1.00000
      2      -2.2367      1.00000
      3      -0.8816      1.00000
      4      -0.6516      1.00000
      5       0.1779      1.00000
      6       0.8195      1.00000
      7       1.7532      1.00000
      8       1.8290      1.00000
      9       2.5507      1.00009
     10       3.1797      0.38920
     11       4.1339     -0.00000
     12       4.6571     -0.00000
     13       6.0486     -0.00000
     14       6.1529     -0.00000
     15       6.3695     -0.00000
     16       8.2796     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8815      1.00000
      2      -0.8627      1.00000
      3      -0.8385      1.00000
      4      -0.0256      1.00000
      5       0.0411      1.00000
      6       0.0601      1.00000
      7       1.0858      1.00000
      8       1.0923      1.00000
      9       1.7900      1.00000
     10       2.6809      1.00211
     11       4.0881     -0.00000
     12       4.1051     -0.00000
     13       5.9767     -0.00000
     14       6.0036     -0.00000
     15       6.0608     -0.00000
     16       8.0173     -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
115.790 -61.847  -0.000  -0.083  -0.000   0.000  -0.023   0.000
-61.847  33.034   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.083   0.035  -0.000   1.743   0.000   0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014   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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   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      0.0019
    FORHF :  cpu time    421.7203: real time    424.6769
    FORNL :  cpu time      0.5013: real time      0.5065
    FORCOR:  cpu time      1.9733: real time      1.9839
    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
 -----------------------------------------------------------------------------------------------
   -.929E-06 -.431E-05 0.183E+03   0.440E-13 0.278E-13 -.182E+03   0.155E-05 0.476E-05 -.125E+01
   0.380E-07 0.685E-06 0.913E+02   0.321E-14 0.215E-14 -.913E+02   -.817E-06 -.599E-06 0.148E+00
   0.296E-05 -.293E-06 -.592E+00   -.142E-12 -.820E-13 0.584E+00   -.363E-05 0.343E-06 0.501E-02
   0.120E-05 0.318E-07 -.925E+02   0.129E-12 0.787E-13 0.924E+02   -.176E-05 0.611E-06 0.998E-01
   0.209E-05 -.399E-05 -.181E+03   -.442E-13 -.234E-13 0.180E+03   -.201E-05 0.469E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.500E-05 -.870E-05 -.205E-01   -.971E-14 0.313E-14 0.000E+00   -.666E-05 0.981E-05 0.171E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.121718
      0.00000      0.00000      2.33311        -0.000001     -0.000000      0.107684
      1.42873      0.82488      4.65665        -0.000001     -0.000001     -0.002340
      2.85746      1.64976      6.98001        -0.000000      0.000000      0.002488
      0.00000      0.00000      9.36247         0.000001      0.000000      0.013886
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000001     -0.002580


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90212301 eV

  energy  without entropy=      -13.89666587  energy(sigma->0) =      -13.90030396
 
 d Force = 0.1917068E-04[ 0.223E-04, 0.160E-04]  d Energy = 0.2267883E-04-0.351E-05
 d Force = 0.3128552E+00[ 0.313E+00, 0.313E+00]  d Ewald  = 0.3128552E+00-0.660E-09


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


    POTLOK:  cpu time      1.9629: real time      1.9736


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.987E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.5416
 eigenvalue spectrum of G is  3.5247  3.5585


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


    WAVPRE:  cpu time      0.0061: real time      0.1244
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9711: real time      1.9821
    EDDIAG:  cpu time    586.4181: real time    591.1607
    CHARGE:  cpu time      0.2640: real time      0.2660
 writing wavefunctions
     LOOP+:  cpu time   8057.8802: real time   8124.2520


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


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2466: real time      1.2518
    TRIAL :  cpu time    585.1041: real time    589.9409
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2661: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    587.3562: real time    592.2065

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9833265E-04  (-0.7329437E-04)
 number of electron      15.0000000 magnetization      -0.0000032
 augmentation part       -0.0008663 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.30363030
  -Hartree energ DENC   =      -701.07498607
  -exchange      EXHF   =        33.26953748
  -V(xc)+E(xc)   XCENC  =       -83.54718685
  PAW double counting   =    100977.82254881  -100876.86421081
  entropy T*S    EENTRO =        -0.00545506
  eigenvalues    EBANDS =       -35.38728529
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90202278 eV

  energy without entropy =      -13.89656772  energy(sigma->0) =      -13.90020442
  exchange ACFDT corr.  =        -0.00529464  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7242: real time      0.7300
    SETDIJ:  cpu time      1.2469: real time      1.2521
    TRIAL :  cpu time    585.4985: real time    590.3527
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2648: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    587.7391: real time    592.6063

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2081913E-04  (-0.5863582E-04)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0008643 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.30363030
  -Hartree energ DENC   =      -701.11935567
  -exchange      EXHF   =        33.26990289
  -V(xc)+E(xc)   XCENC  =       -83.54705897
  PAW double counting   =    100979.68404137  -100878.72569068
  entropy T*S    EENTRO =        -0.00545638
  eigenvalues    EBANDS =       -35.34344203
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90204360 eV

  energy without entropy =      -13.89658721  energy(sigma->0) =      -13.90022480
  exchange ACFDT corr.  =        -0.00529629  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7242: real time      0.7296
    SETDIJ:  cpu time      1.2468: real time      1.2524
    TRIAL :  cpu time    585.2238: real time    590.0596
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    587.4653: real time    592.3142

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3147493E-04  (-0.1096900E-04)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0008621 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.30363030
  -Hartree energ DENC   =      -701.14384065
  -exchange      EXHF   =        33.27021369
  -V(xc)+E(xc)   XCENC  =       -83.54694816
  PAW double counting   =    100981.85024130  -100880.89191350
  entropy T*S    EENTRO =        -0.00545738
  eigenvalues    EBANDS =       -35.31938591
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207507 eV

  energy without entropy =      -13.89661769  energy(sigma->0) =      -13.90025594
  exchange ACFDT corr.  =        -0.00529987  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2465: real time      1.2516
    TRIAL :  cpu time    585.4362: real time    590.2556
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    587.6783: real time    592.5104

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7903087E-05  (-0.1346956E-04)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0008600 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.30363030
  -Hartree energ DENC   =      -701.14908981
  -exchange      EXHF   =        33.27038325
  -V(xc)+E(xc)   XCENC  =       -83.54688960
  PAW double counting   =    100983.87934290  -100882.92100233
  entropy T*S    EENTRO =        -0.00545916
  eigenvalues    EBANDS =       -35.31438456
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90208297 eV

  energy without entropy =      -13.89662382  energy(sigma->0) =      -13.90026325
  exchange ACFDT corr.  =        -0.00530195  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2462: real time      1.2514
    TRIAL :  cpu time    586.7742: real time    591.5860
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    585.5524: real time    590.2677
    CHARGE:  cpu time      0.2659: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time   1174.5686: real time   1184.1085

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4869551E-05  (-0.8209350E-05)
 number of electron      15.0000000 magnetization      -0.0000022
 augmentation part       -0.0008583 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.30363030
  -Hartree energ DENC   =      -701.14908917
  -exchange      EXHF   =        33.27040152
  -V(xc)+E(xc)   XCENC  =       -83.54687307
  PAW double counting   =    100985.75499642  -100884.79667010
  entropy T*S    EENTRO =        -0.00546218
  eigenvalues    EBANDS =       -35.31444206
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90208784 eV

  energy without entropy =      -13.89662566  energy(sigma->0) =      -13.90026712
  exchange ACFDT corr.  =        -0.00530372  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.8294


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8741       2 -69.7668       3 -69.7806       4 -69.7905       5 -69.9187
 
 
 
 E-fermi :   3.1523     XC(G=0):  -5.1192     alpha+bet : -8.9779

 Fermi energy:         3.1522845393

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8935      1.00000
      2      -9.9935      1.00000
      3      -8.6247      1.00000
      4      -6.7591      1.00000
      5      -4.3305      1.00000
      6      -1.5896      1.00000
      7       1.6246      1.00000
      8       4.6335     -0.00000
      9       5.4124     -0.00000
     10       7.9284     -0.00000
     11       7.9916     -0.00000
     12      11.8922      0.00000
     13      12.1865      0.00000
     14      16.0630      0.00000
     15      16.1536      0.00000
     16      16.2678      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6850      1.00000
      2      -9.7845      1.00000
      3      -8.4146      1.00000
      4      -6.5472      1.00000
      5      -4.1145      1.00000
      6      -1.3795      1.00000
      7       1.8382      1.00000
      8       4.8163     -0.00000
      9       5.5867     -0.00000
     10       8.0963     -0.00000
     11       8.1565     -0.00000
     12      12.0202      0.00000
     13      12.2825      0.00000
     14      13.1189      0.00000
     15      13.8520      0.00000
     16      14.3382      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6850      1.00000
      2      -9.7845      1.00000
      3      -8.4146      1.00000
      4      -6.5472      1.00000
      5      -4.1145      1.00000
      6      -1.3795      1.00000
      7       1.8382      1.00000
      8       4.8163     -0.00000
      9       5.5867     -0.00000
     10       8.0963     -0.00000
     11       8.1565     -0.00000
     12      12.0202      0.00000
     13      12.2825      0.00000
     14      13.1189      0.00000
     15      13.8501      0.00000
     16      14.4296      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6850      1.00000
      2      -9.7845      1.00000
      3      -8.4146      1.00000
      4      -6.5472      1.00000
      5      -4.1145      1.00000
      6      -1.3795      1.00000
      7       1.8382      1.00000
      8       4.8163     -0.00000
      9       5.5867     -0.00000
     10       8.0963     -0.00000
     11       8.1565     -0.00000
     12      12.0202      0.00000
     13      12.2825      0.00000
     14      13.1189      0.00000
     15      13.8502      0.00000
     16      14.3365      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0595      1.00000
      2      -9.1571      1.00000
      3      -7.7840      1.00000
      4      -5.9117      1.00000
      5      -3.4677      1.00000
      6      -0.7503      1.00000
      7       2.4644      1.00001
      8       5.3477     -0.00000
      9       6.1046     -0.00000
     10       8.4803     -0.00000
     11       8.6285      0.00000
     12       9.7282      0.00000
     13      10.2684      0.00000
     14      11.3717      0.00000
     15      12.5048      0.00000
     16      12.7730      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0595      1.00000
      2      -9.1571      1.00000
      3      -7.7840      1.00000
      4      -5.9117      1.00000
      5      -3.4677      1.00000
      6      -0.7503      1.00000
      7       2.4644      1.00001
      8       5.3477     -0.00000
      9       6.1046     -0.00000
     10       8.4803     -0.00000
     11       8.6285      0.00000
     12       9.7282      0.00000
     13      10.2684      0.00000
     14      11.3717      0.00000
     15      12.5075      0.00000
     16      12.8056      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0595      1.00000
      2      -9.1571      1.00000
      3      -7.7840      1.00000
      4      -5.9117      1.00000
      5      -3.4677      1.00000
      6      -0.7503      1.00000
      7       2.4644      1.00001
      8       5.3477     -0.00000
      9       6.1046     -0.00000
     10       8.4803     -0.00000
     11       8.6285      0.00000
     12       9.7282      0.00000
     13      10.2684      0.00000
     14      11.3717      0.00000
     15      12.5084      0.00000
     16      12.8597      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0164      1.00000
      2      -8.1104      1.00000
      3      -6.7318      1.00000
      4      -4.8525      1.00000
      5      -2.3959      1.00000
      6       0.2874      1.00000
      7       3.4212     -0.03372
      8       5.6446     -0.00000
      9       6.5445     -0.00000
     10       6.8626     -0.00000
     11       7.0511     -0.00000
     12       8.0598     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.5930      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0164      1.00000
      2      -8.1104      1.00000
      3      -6.7318      1.00000
      4      -4.8525      1.00000
      5      -2.3959      1.00000
      6       0.2874      1.00000
      7       3.4212     -0.03372
      8       5.6446     -0.00000
      9       6.5445     -0.00000
     10       6.8626     -0.00000
     11       7.0511     -0.00000
     12       8.0598     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6001      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0164      1.00000
      2      -8.1104      1.00000
      3      -6.7318      1.00000
      4      -4.8525      1.00000
      5      -2.3959      1.00000
      6       0.2874      1.00000
      7       3.4212     -0.03372
      8       5.6446     -0.00000
      9       6.5445     -0.00000
     10       6.8626     -0.00000
     11       7.0511     -0.00000
     12       8.0598     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6230      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6421      1.00000
      3      -5.2566      1.00000
      4      -3.3734      1.00000
      5      -0.9301      1.00000
      6       1.5763      1.00000
      7       2.5451      1.00007
      8       3.5206     -0.01322
      9       4.7965     -0.00000
     10       5.1368     -0.00000
     11       6.5244     -0.00000
     12       7.6552     -0.00000
     13       8.2135     -0.00000
     14       8.7151      0.00000
     15      10.5175      0.00000
     16      10.8316      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6421      1.00000
      3      -5.2566      1.00000
      4      -3.3734      1.00000
      5      -0.9301      1.00000
      6       1.5763      1.00000
      7       2.5451      1.00007
      8       3.5206     -0.01322
      9       4.7965     -0.00000
     10       5.1368     -0.00000
     11       6.5244     -0.00000
     12       7.6552     -0.00000
     13       8.2135     -0.00000
     14       8.7151      0.00000
     15      10.5177      0.00000
     16      10.8309      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6421      1.00000
      3      -5.2566      1.00000
      4      -3.3734      1.00000
      5      -0.9301      1.00000
      6       1.5763      1.00000
      7       2.5451      1.00007
      8       3.5206     -0.01322
      9       4.7965     -0.00000
     10       5.1368     -0.00000
     11       6.5244     -0.00000
     12       7.6552     -0.00000
     13       8.2135     -0.00000
     14       8.7151      0.00000
     15      10.5175      0.00000
     16      10.8305      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.7497      1.00000
      3      -3.3632      1.00000
      4      -1.5207      1.00000
      5      -0.6701      1.00000
      6       0.1133      1.00000
      7       1.1148      1.00000
      8       2.0142      1.00000
      9       3.6486     -0.00128
     10       3.7446     -0.00012
     11       5.9376     -0.00000
     12       6.7129     -0.00000
     13       8.2359     -0.00000
     14       9.1991      0.00000
     15       9.7531      0.00000
     16      10.6101      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.7497      1.00000
      3      -3.3632      1.00000
      4      -1.5207      1.00000
      5      -0.6701      1.00000
      6       0.1133      1.00000
      7       1.1148      1.00000
      8       2.0142      1.00000
      9       3.6486     -0.00128
     10       3.7446     -0.00012
     11       5.9376     -0.00000
     12       6.7129     -0.00000
     13       8.2359     -0.00000
     14       9.1990      0.00000
     15       9.7531      0.00000
     16      10.4049      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.7497      1.00000
      3      -3.3632      1.00000
      4      -1.5207      1.00000
      5      -0.6701      1.00000
      6       0.1133      1.00000
      7       1.1148      1.00000
      8       2.0142      1.00000
      9       3.6486     -0.00128
     10       3.7446     -0.00012
     11       5.9376     -0.00000
     12       6.7129     -0.00000
     13       8.2359     -0.00000
     14       9.1990      0.00000
     15       9.7530      0.00000
     16      10.4525      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3690      1.00000
      2      -3.3473      1.00000
      3      -2.4535      1.00000
      4      -2.4391      1.00000
      5      -1.3008      1.00000
      6      -0.9063      1.00000
      7       0.6401      1.00000
      8       1.3831      1.00000
      9       3.3897     -0.03516
     10       3.5291     -0.01163
     11       5.6760     -0.00000
     12       6.0184     -0.00000
     13       8.4116     -0.00000
     14       8.8650      0.00000
     15      10.2345      0.00000
     16      10.5404      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3690      1.00000
      2      -3.3473      1.00000
      3      -2.4535      1.00000
      4      -2.4391      1.00000
      5      -1.3008      1.00000
      6      -0.9063      1.00000
      7       0.6401      1.00000
      8       1.3831      1.00000
      9       3.3897     -0.03516
     10       3.5291     -0.01163
     11       5.6760     -0.00000
     12       6.0184     -0.00000
     13       8.4116     -0.00000
     14       8.8650      0.00000
     15      10.2356      0.00000
     16      10.5630      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3690      1.00000
      2      -3.3473      1.00000
      3      -2.4535      1.00000
      4      -2.4391      1.00000
      5      -1.3008      1.00000
      6      -0.9063      1.00000
      7       0.6401      1.00000
      8       1.3831      1.00000
      9       3.3897     -0.03516
     10       3.5291     -0.01163
     11       5.6760     -0.00000
     12       6.0184     -0.00000
     13       8.4116     -0.00000
     14       8.8650      0.00000
     15      10.2322      0.00000
     16      10.5397      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2680      1.00000
      2      -9.3663      1.00000
      3      -7.9942      1.00000
      4      -6.1236      1.00000
      5      -3.6831      1.00000
      6      -0.9597      1.00000
      7       2.2585      1.00000
      8       5.1752     -0.00000
      9       5.9334     -0.00000
     10       8.4209     -0.00000
     11       8.4646     -0.00000
     12      11.4275      0.00000
     13      11.4422      0.00000
     14      11.8831      0.00000
     15      12.0112      0.00000
     16      12.6623      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2680      1.00000
      2      -9.3663      1.00000
      3      -7.9942      1.00000
      4      -6.1236      1.00000
      5      -3.6831      1.00000
      6      -0.9597      1.00000
      7       2.2585      1.00000
      8       5.1752     -0.00000
      9       5.9334     -0.00000
     10       8.4209     -0.00000
     11       8.4646     -0.00000
     12      11.4274      0.00000
     13      11.4439      0.00000
     14      11.8841      0.00000
     15      12.0103      0.00000
     16      12.6631      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2680      1.00000
      2      -9.3663      1.00000
      3      -7.9942      1.00000
      4      -6.1236      1.00000
      5      -3.6831      1.00000
      6      -0.9597      1.00000
      7       2.2585      1.00000
      8       5.1752     -0.00000
      9       5.9334     -0.00000
     10       8.4209     -0.00000
     11       8.4646     -0.00000
     12      11.4275      0.00000
     13      11.4414      0.00000
     14      11.8845      0.00000
     15      12.0127      0.00000
     16      12.6588      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83997
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7148      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83997
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1801      0.00000
     16      10.7145      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83997
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7148      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83997
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7145      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83997
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7151      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83997
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7142      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8964      0.00000
     15       9.5956      0.00000
     16      10.1833      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8961      0.00000
     15       9.5973      0.00000
     16      10.0696      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8976      0.00000
     15       9.6018      0.00000
     16      10.2611      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.9001      0.00000
     15       9.5965      0.00000
     16      10.2547      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8962      0.00000
     15       9.5948      0.00000
     16      10.1043      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8995      0.00000
     15       9.9177      0.00000
     16      10.2092      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6540      0.00000
     15       9.1020      0.00000
     16       9.1233      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6538      0.00000
     15       9.1020      0.00000
     16       9.1232      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6536      0.00000
     15       9.1020      0.00000
     16       9.1215      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6536      0.00000
     15       9.1020      0.00000
     16       9.1224      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6541      0.00000
     15       9.1020      0.00000
     16       9.1242      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6536      0.00000
     15       9.1025      0.00000
     16       9.1216      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8362      0.00000
     16       9.7026      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.7168      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8377      0.00000
     16       9.7245      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.6979      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8362      0.00000
     16       9.6969      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8365      0.00000
     16       9.7281      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4819      1.00000
      3      -6.1000      1.00000
      4      -4.2174      1.00000
      5      -1.7582      1.00000
      6       0.9016      1.00000
      7       3.9609     -0.00000
      8       6.0175     -0.00000
      9       6.4923     -0.00000
     10       7.2247     -0.00000
     11       7.3189     -0.00000
     12       7.4835     -0.00000
     13       7.6013     -0.00000
     14       8.3711     -0.00000
     15       8.7391      0.00000
     16      10.0588      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4819      1.00000
      3      -6.1000      1.00000
      4      -4.2174      1.00000
      5      -1.7582      1.00000
      6       0.9016      1.00000
      7       3.9609     -0.00000
      8       6.0175     -0.00000
      9       6.4923     -0.00000
     10       7.2247     -0.00000
     11       7.3189     -0.00000
     12       7.4835     -0.00000
     13       7.6013     -0.00000
     14       8.3711     -0.00000
     15       8.7385      0.00000
     16      10.0639      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4819      1.00000
      3      -6.1000      1.00000
      4      -4.2174      1.00000
      5      -1.7582      1.00000
      6       0.9016      1.00000
      7       3.9609     -0.00000
      8       6.0175     -0.00000
      9       6.4923     -0.00000
     10       7.2247     -0.00000
     11       7.3189     -0.00000
     12       7.4835     -0.00000
     13       7.6013     -0.00000
     14       8.3710     -0.00000
     15       8.7385      0.00000
     16      10.0547      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58256
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4181     -0.00000
     16       8.7573      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58256
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4181     -0.00000
     16       8.7584      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58256
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4184     -0.00000
     16       8.7576      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58256
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4186     -0.00000
     16       8.7575      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58256
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4180     -0.00000
     16       8.7586      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58256
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4181     -0.00000
     16       8.7572      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8479      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8496      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8484      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8720      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8809      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8827      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7214      1.00000
      3      -1.8272      1.00000
      4      -1.8198      1.00000
      5      -0.6867      1.00000
      6      -0.2932      1.00000
      7       1.2404      1.00000
      8       1.9747      1.00000
      9       3.7768     -0.00005
     10       3.9049     -0.00000
     11       4.7171     -0.00000
     12       5.7522     -0.00000
     13       6.3945     -0.00000
     14       6.7537     -0.00000
     15       7.1214     -0.00000
     16       8.7587      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7214      1.00000
      3      -1.8272      1.00000
      4      -1.8198      1.00000
      5      -0.6867      1.00000
      6      -0.2932      1.00000
      7       1.2404      1.00000
      8       1.9747      1.00000
      9       3.7768     -0.00005
     10       3.9049     -0.00000
     11       4.7171     -0.00000
     12       5.7522     -0.00000
     13       6.3945     -0.00000
     14       6.7537     -0.00000
     15       7.1214     -0.00000
     16       8.7257      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7214      1.00000
      3      -1.8273      1.00000
      4      -1.8198      1.00000
      5      -0.6867      1.00000
      6      -0.2932      1.00000
      7       1.2404      1.00000
      8       1.9747      1.00000
      9       3.7768     -0.00005
     10       3.9049     -0.00000
     11       4.7171     -0.00000
     12       5.7522     -0.00000
     13       6.3945     -0.00000
     14       6.7537     -0.00000
     15       7.1214     -0.00000
     16       8.7220      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.3316      1.00000
      3      -2.9429      1.00000
      4      -1.0845      1.00000
      5       1.1534      1.00000
      6       2.0973      1.00000
      7       2.2596      1.00000
      8       2.9815      1.00420
      9       3.4365     -0.03138
     10       4.2233     -0.00000
     11       4.4852     -0.00000
     12       4.8505     -0.00000
     13       6.2108     -0.00000
     14       6.8523     -0.00000
     15       7.2569     -0.00000
     16       8.6913      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.3316      1.00000
      3      -2.9429      1.00000
      4      -1.0845      1.00000
      5       1.1534      1.00000
      6       2.0973      1.00000
      7       2.2596      1.00000
      8       2.9815      1.00420
      9       3.4365     -0.03138
     10       4.2233     -0.00000
     11       4.4852     -0.00000
     12       4.8505     -0.00000
     13       6.2108     -0.00000
     14       6.8523     -0.00000
     15       7.2569     -0.00000
     16       8.7009      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.3316      1.00000
      3      -2.9429      1.00000
      4      -1.0845      1.00000
      5       1.1534      1.00000
      6       2.0973      1.00000
      7       2.2596      1.00000
      8       2.9815      1.00420
      9       3.4365     -0.03138
     10       4.2233     -0.00000
     11       4.4852     -0.00000
     12       4.8505     -0.00000
     13       6.2108     -0.00000
     14       6.8523     -0.00000
     15       7.2569     -0.00000
     16       8.7042      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38910
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2290     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38910
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2703     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38910
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2386     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38909
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2430     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38909
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2370     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38910
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.4209     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8792      1.00000
      2      -0.8640      1.00000
      3      -0.8380      1.00000
      4      -0.0266      1.00000
      5       0.0444      1.00000
      6       0.0560      1.00000
      7       1.0846      1.00000
      8       1.0898      1.00000
      9       1.7895      1.00000
     10       2.6817      1.00213
     11       4.0795     -0.00000
     12       4.1149     -0.00000
     13       5.9778     -0.00000
     14       6.0057     -0.00000
     15       6.0624     -0.00000
     16       8.0164     -0.00000
 Fermi energy:         3.1522845393

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8935      1.00000
      2      -9.9935      1.00000
      3      -8.6247      1.00000
      4      -6.7591      1.00000
      5      -4.3305      1.00000
      6      -1.5896      1.00000
      7       1.6246      1.00000
      8       4.6335     -0.00000
      9       5.4124     -0.00000
     10       7.9284     -0.00000
     11       7.9916     -0.00000
     12      11.8922      0.00000
     13      12.1865      0.00000
     14      16.0637      0.00000
     15      16.2429      0.00000
     16      16.3923      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6850      1.00000
      2      -9.7845      1.00000
      3      -8.4146      1.00000
      4      -6.5472      1.00000
      5      -4.1145      1.00000
      6      -1.3795      1.00000
      7       1.8382      1.00000
      8       4.8163     -0.00000
      9       5.5867     -0.00000
     10       8.0963     -0.00000
     11       8.1565     -0.00000
     12      12.0202      0.00000
     13      12.2825      0.00000
     14      13.1189      0.00000
     15      13.8499      0.00000
     16      14.3246      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6850      1.00000
      2      -9.7845      1.00000
      3      -8.4146      1.00000
      4      -6.5472      1.00000
      5      -4.1145      1.00000
      6      -1.3795      1.00000
      7       1.8382      1.00000
      8       4.8163     -0.00000
      9       5.5867     -0.00000
     10       8.0963     -0.00000
     11       8.1565     -0.00000
     12      12.0202      0.00000
     13      12.2825      0.00000
     14      13.1189      0.00000
     15      13.8499      0.00000
     16      14.3226      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6850      1.00000
      2      -9.7845      1.00000
      3      -8.4146      1.00000
      4      -6.5472      1.00000
      5      -4.1145      1.00000
      6      -1.3795      1.00000
      7       1.8382      1.00000
      8       4.8163     -0.00000
      9       5.5867     -0.00000
     10       8.0963     -0.00000
     11       8.1565     -0.00000
     12      12.0202      0.00000
     13      12.2825      0.00000
     14      13.1189      0.00000
     15      13.8506      0.00000
     16      14.3319      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0595      1.00000
      2      -9.1571      1.00000
      3      -7.7840      1.00000
      4      -5.9117      1.00000
      5      -3.4677      1.00000
      6      -0.7503      1.00000
      7       2.4644      1.00001
      8       5.3477     -0.00000
      9       6.1046     -0.00000
     10       8.4803     -0.00000
     11       8.6285      0.00000
     12       9.7282      0.00000
     13      10.2684      0.00000
     14      11.3717      0.00000
     15      12.5125      0.00000
     16      12.8591      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0595      1.00000
      2      -9.1571      1.00000
      3      -7.7840      1.00000
      4      -5.9117      1.00000
      5      -3.4677      1.00000
      6      -0.7503      1.00000
      7       2.4644      1.00001
      8       5.3477     -0.00000
      9       6.1046     -0.00000
     10       8.4803     -0.00000
     11       8.6285      0.00000
     12       9.7282      0.00000
     13      10.2684      0.00000
     14      11.3717      0.00000
     15      12.5051      0.00000
     16      12.7720      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0595      1.00000
      2      -9.1571      1.00000
      3      -7.7840      1.00000
      4      -5.9117      1.00000
      5      -3.4677      1.00000
      6      -0.7503      1.00000
      7       2.4644      1.00001
      8       5.3477     -0.00000
      9       6.1046     -0.00000
     10       8.4803     -0.00000
     11       8.6285      0.00000
     12       9.7282      0.00000
     13      10.2684      0.00000
     14      11.3717      0.00000
     15      12.5085      0.00000
     16      12.8229      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0164      1.00000
      2      -8.1104      1.00000
      3      -6.7318      1.00000
      4      -4.8525      1.00000
      5      -2.3959      1.00000
      6       0.2874      1.00000
      7       3.4212     -0.03372
      8       5.6446     -0.00000
      9       6.5445     -0.00000
     10       6.8626     -0.00000
     11       7.0511     -0.00000
     12       8.0598     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.5951      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0164      1.00000
      2      -8.1104      1.00000
      3      -6.7318      1.00000
      4      -4.8525      1.00000
      5      -2.3959      1.00000
      6       0.2874      1.00000
      7       3.4212     -0.03372
      8       5.6446     -0.00000
      9       6.5445     -0.00000
     10       6.8626     -0.00000
     11       7.0511     -0.00000
     12       8.0598     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6174      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0164      1.00000
      2      -8.1104      1.00000
      3      -6.7318      1.00000
      4      -4.8525      1.00000
      5      -2.3959      1.00000
      6       0.2874      1.00000
      7       3.4212     -0.03372
      8       5.6446     -0.00000
      9       6.5445     -0.00000
     10       6.8626     -0.00000
     11       7.0511     -0.00000
     12       8.0598     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6029      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6421      1.00000
      3      -5.2566      1.00000
      4      -3.3734      1.00000
      5      -0.9301      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5206     -0.01322
      9       4.7965     -0.00000
     10       5.1368     -0.00000
     11       6.5244     -0.00000
     12       7.6552     -0.00000
     13       8.2135     -0.00000
     14       8.7151      0.00000
     15      10.5167      0.00000
     16      10.8312      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6421      1.00000
      3      -5.2566      1.00000
      4      -3.3734      1.00000
      5      -0.9301      1.00000
      6       1.5763      1.00000
      7       2.5451      1.00007
      8       3.5206     -0.01322
      9       4.7965     -0.00000
     10       5.1368     -0.00000
     11       6.5244     -0.00000
     12       7.6552     -0.00000
     13       8.2135     -0.00000
     14       8.7151      0.00000
     15      10.5191      0.00000
     16      10.8341      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6421      1.00000
      3      -5.2566      1.00000
      4      -3.3734      1.00000
      5      -0.9301      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5206     -0.01322
      9       4.7965     -0.00000
     10       5.1368     -0.00000
     11       6.5244     -0.00000
     12       7.6552     -0.00000
     13       8.2135     -0.00000
     14       8.7151      0.00000
     15      10.5187      0.00000
     16      10.8355      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.7497      1.00000
      3      -3.3632      1.00000
      4      -1.5207      1.00000
      5      -0.6701      1.00000
      6       0.1133      1.00000
      7       1.1148      1.00000
      8       2.0142      1.00000
      9       3.6486     -0.00128
     10       3.7446     -0.00012
     11       5.9376     -0.00000
     12       6.7129     -0.00000
     13       8.2359     -0.00000
     14       9.1990      0.00000
     15       9.7530      0.00000
     16      10.4647      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.7497      1.00000
      3      -3.3632      1.00000
      4      -1.5207      1.00000
      5      -0.6701      1.00000
      6       0.1133      1.00000
      7       1.1148      1.00000
      8       2.0142      1.00000
      9       3.6486     -0.00128
     10       3.7446     -0.00012
     11       5.9376     -0.00000
     12       6.7129     -0.00000
     13       8.2359     -0.00000
     14       9.1990      0.00000
     15       9.7531      0.00000
     16      10.5106      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6674      1.00000
      2      -4.7497      1.00000
      3      -3.3632      1.00000
      4      -1.5207      1.00000
      5      -0.6701      1.00000
      6       0.1133      1.00000
      7       1.1148      1.00000
      8       2.0142      1.00000
      9       3.6486     -0.00128
     10       3.7446     -0.00012
     11       5.9376     -0.00000
     12       6.7129     -0.00000
     13       8.2359     -0.00000
     14       9.1990      0.00000
     15       9.7532      0.00000
     16      10.5155      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3690      1.00000
      2      -3.3473      1.00000
      3      -2.4535      1.00000
      4      -2.4392      1.00000
      5      -1.3008      1.00000
      6      -0.9063      1.00000
      7       0.6401      1.00000
      8       1.3831      1.00000
      9       3.3897     -0.03516
     10       3.5291     -0.01163
     11       5.6760     -0.00000
     12       6.0184     -0.00000
     13       8.4116     -0.00000
     14       8.8651      0.00000
     15      10.2875      0.00000
     16      10.6315      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3690      1.00000
      2      -3.3473      1.00000
      3      -2.4535      1.00000
      4      -2.4391      1.00000
      5      -1.3008      1.00000
      6      -0.9063      1.00000
      7       0.6401      1.00000
      8       1.3831      1.00000
      9       3.3897     -0.03516
     10       3.5291     -0.01163
     11       5.6760     -0.00000
     12       6.0184     -0.00000
     13       8.4116     -0.00000
     14       8.8650      0.00000
     15      10.2345      0.00000
     16      10.5432      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3690      1.00000
      2      -3.3473      1.00000
      3      -2.4535      1.00000
      4      -2.4391      1.00000
      5      -1.3008      1.00000
      6      -0.9063      1.00000
      7       0.6401      1.00000
      8       1.3831      1.00000
      9       3.3897     -0.03516
     10       3.5291     -0.01163
     11       5.6760     -0.00000
     12       6.0184     -0.00000
     13       8.4116     -0.00000
     14       8.8650      0.00000
     15      10.2755      0.00000
     16      10.5411      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2680      1.00000
      2      -9.3663      1.00000
      3      -7.9942      1.00000
      4      -6.1236      1.00000
      5      -3.6831      1.00000
      6      -0.9597      1.00000
      7       2.2585      1.00000
      8       5.1752     -0.00000
      9       5.9334     -0.00000
     10       8.4209     -0.00000
     11       8.4646     -0.00000
     12      11.4274      0.00000
     13      11.4415      0.00000
     14      11.8833      0.00000
     15      12.0121      0.00000
     16      12.6537      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2680      1.00000
      2      -9.3663      1.00000
      3      -7.9942      1.00000
      4      -6.1236      1.00000
      5      -3.6831      1.00000
      6      -0.9597      1.00000
      7       2.2585      1.00000
      8       5.1752     -0.00000
      9       5.9334     -0.00000
     10       8.4209     -0.00000
     11       8.4646     -0.00000
     12      11.4274      0.00000
     13      11.4413      0.00000
     14      11.8843      0.00000
     15      12.0140      0.00000
     16      12.6421      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2680      1.00000
      2      -9.3663      1.00000
      3      -7.9942      1.00000
      4      -6.1236      1.00000
      5      -3.6831      1.00000
      6      -0.9597      1.00000
      7       2.2585      1.00000
      8       5.1752     -0.00000
      9       5.9334     -0.00000
     10       8.4209     -0.00000
     11       8.4646     -0.00000
     12      11.4274      0.00000
     13      11.4415      0.00000
     14      11.8824      0.00000
     15      12.0304      0.00000
     16      12.7184      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83998
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7143      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83998
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1804      0.00000
     16      10.7148      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83998
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7143      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83998
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1801      0.00000
     16      10.7144      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83998
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7142      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4338      1.00000
      2      -8.5293      1.00000
      3      -7.1529      1.00000
      4      -5.2761      1.00000
      5      -2.8233      1.00000
      6      -0.1246      1.00000
      7       3.0637      0.83998
      8       5.8263     -0.00000
      9       6.6018     -0.00000
     10       7.8571     -0.00000
     11       8.5825     -0.00000
     12       9.0036      0.00000
     13       9.4217      0.00000
     14       9.8306      0.00000
     15      10.1802      0.00000
     16      10.7142      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8961      0.00000
     15       9.5938      0.00000
     16      10.0721      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8976      0.00000
     15       9.5958      0.00000
     16      10.1740      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8965      0.00000
     15       9.5937      0.00000
     16      10.1450      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8970      0.00000
     15       9.5946      0.00000
     16      10.1450      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8963      0.00000
     15       9.5996      0.00000
     16      10.2755      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1811      1.00000
      2      -7.2720      1.00000
      3      -5.8891      1.00000
      4      -4.0060      1.00000
      5      -1.5485      1.00000
      6       1.0932      1.00000
      7       3.8126     -0.00002
      8       4.6814     -0.00000
      9       5.4005     -0.00000
     10       6.5050     -0.00000
     11       7.0901     -0.00000
     12       7.6976     -0.00000
     13       8.1806     -0.00000
     14       8.8959      0.00000
     15       9.5938      0.00000
     16      10.1622      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6538      0.00000
     15       9.1025      0.00000
     16       9.1237      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6538      0.00000
     15       9.1020      0.00000
     16       9.1230      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6536      0.00000
     15       9.1022      0.00000
     16       9.1217      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6536      0.00000
     15       9.1020      0.00000
     16       9.1222      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6536      0.00000
     15       9.1020      0.00000
     16       9.1216      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5069      1.00000
      2      -5.5916      1.00000
      3      -4.2031      1.00000
      4      -2.3269      1.00000
      5       0.0199      1.00000
      6       0.9979      1.00000
      7       1.9733      1.00000
      8       2.9861      0.99901
      9       3.5184     -0.01342
     10       5.1953     -0.00000
     11       5.9080     -0.00000
     12       7.3296     -0.00000
     13       7.9799     -0.00000
     14       8.6538      0.00000
     15       9.1021      0.00000
     16       9.1221      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8366      0.00000
     16       9.6971      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.7025      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.7038      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.6984      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.6968      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4080      1.00000
      2      -3.4899      1.00000
      3      -2.1200      1.00000
      4      -1.8965      1.00000
      5      -1.0463      1.00000
      6      -0.3613      1.00000
      7       0.6396      1.00000
      8       2.2917      1.00000
      9       2.6671      1.00157
     10       4.7356     -0.00000
     11       4.9080     -0.00000
     12       7.0264     -0.00000
     13       7.4901     -0.00000
     14       8.0166     -0.00000
     15       8.8361      0.00000
     16       9.7155      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4819      1.00000
      3      -6.1000      1.00000
      4      -4.2174      1.00000
      5      -1.7582      1.00000
      6       0.9016      1.00000
      7       3.9609     -0.00000
      8       6.0175     -0.00000
      9       6.4923     -0.00000
     10       7.2247     -0.00000
     11       7.3189     -0.00000
     12       7.4835     -0.00000
     13       7.6013     -0.00000
     14       8.3711     -0.00000
     15       8.7385      0.00000
     16      10.0614      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4819      1.00000
      3      -6.1000      1.00000
      4      -4.2174      1.00000
      5      -1.7582      1.00000
      6       0.9016      1.00000
      7       3.9609     -0.00000
      8       6.0175     -0.00000
      9       6.4923     -0.00000
     10       7.2247     -0.00000
     11       7.3189     -0.00000
     12       7.4835     -0.00000
     13       7.6013     -0.00000
     14       8.3711     -0.00000
     15       8.7385      0.00000
     16      10.0542      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4819      1.00000
      3      -6.1000      1.00000
      4      -4.2174      1.00000
      5      -1.7582      1.00000
      6       0.9016      1.00000
      7       3.9609     -0.00000
      8       6.0175     -0.00000
      9       6.4923     -0.00000
     10       7.2247     -0.00000
     11       7.3189     -0.00000
     12       7.4835     -0.00000
     13       7.6013     -0.00000
     14       8.3710     -0.00000
     15       8.7385      0.00000
     16      10.0644      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58257
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4183     -0.00000
     16       8.7572      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58257
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4186     -0.00000
     16       8.7576      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58257
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4181     -0.00000
     16       8.7582      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58257
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4180     -0.00000
     16       8.7578      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58257
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4184     -0.00000
     16       8.7572      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -6.0127      1.00000
      3      -4.6247      1.00000
      4      -2.7417      1.00000
      5      -0.3101      1.00000
      6       2.1611      1.00000
      7       3.1339      0.58257
      8       4.0954     -0.00000
      9       5.0880     -0.00000
     10       5.3522     -0.00000
     11       5.9058     -0.00000
     12       6.4781     -0.00000
     13       7.0128     -0.00000
     14       7.7598     -0.00000
     15       8.4180     -0.00000
     16       8.7584      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8511      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8349      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8497      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8555      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8628      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.1207      1.00000
      3      -2.7349      1.00000
      4      -0.9029      1.00000
      5      -0.0535      1.00000
      6       0.7153      1.00000
      7       1.7054      1.00000
      8       2.5857      1.00022
      9       4.0703     -0.00000
     10       4.2705     -0.00000
     11       4.8662     -0.00000
     12       5.7248     -0.00000
     13       6.6252     -0.00000
     14       7.3950     -0.00000
     15       7.5277     -0.00000
     16       8.8767      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7214      1.00000
      3      -1.8273      1.00000
      4      -1.8198      1.00000
      5      -0.6867      1.00000
      6      -0.2932      1.00000
      7       1.2404      1.00000
      8       1.9747      1.00000
      9       3.7768     -0.00005
     10       3.9049     -0.00000
     11       4.7171     -0.00000
     12       5.7522     -0.00000
     13       6.3945     -0.00000
     14       6.7537     -0.00000
     15       7.1214     -0.00000
     16       8.6858      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7214      1.00000
      3      -1.8272      1.00000
      4      -1.8198      1.00000
      5      -0.6867      1.00000
      6      -0.2932      1.00000
      7       1.2404      1.00000
      8       1.9747      1.00000
      9       3.7768     -0.00005
     10       3.9049     -0.00000
     11       4.7171     -0.00000
     12       5.7522     -0.00000
     13       6.3945     -0.00000
     14       6.7537     -0.00000
     15       7.1214     -0.00000
     16       8.6803      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7214      1.00000
      3      -1.8273      1.00000
      4      -1.8198      1.00000
      5      -0.6867      1.00000
      6      -0.2932      1.00000
      7       1.2404      1.00000
      8       1.9747      1.00000
      9       3.7768     -0.00005
     10       3.9049     -0.00000
     11       4.7171     -0.00000
     12       5.7522     -0.00000
     13       6.3945     -0.00000
     14       6.7537     -0.00000
     15       7.1214     -0.00000
     16       8.7044      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2501      1.00000
      2      -4.3316      1.00000
      3      -2.9429      1.00000
      4      -1.0845      1.00000
      5       1.1534      1.00000
      6       2.0973      1.00000
      7       2.2596      1.00000
      8       2.9815      1.00420
      9       3.4365     -0.03138
     10       4.2233     -0.00000
     11       4.4852     -0.00000
     12       4.8505     -0.00000
     13       6.2108     -0.00000
     14       6.8523     -0.00000
     15       7.2569     -0.00000
     16       8.6954      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2501      1.00000
      2      -4.3316      1.00000
      3      -2.9429      1.00000
      4      -1.0845      1.00000
      5       1.1534      1.00000
      6       2.0973      1.00000
      7       2.2596      1.00000
      8       2.9815      1.00420
      9       3.4365     -0.03138
     10       4.2233     -0.00000
     11       4.4852     -0.00000
     12       4.8505     -0.00000
     13       6.2108     -0.00000
     14       6.8523     -0.00000
     15       7.2569     -0.00000
     16       8.6918      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2501      1.00000
      2      -4.3316      1.00000
      3      -2.9429      1.00000
      4      -1.0845      1.00000
      5       1.1534      1.00000
      6       2.0973      1.00000
      7       2.2596      1.00000
      8       2.9815      1.00420
      9       3.4365     -0.03138
     10       4.2233     -0.00000
     11       4.4852     -0.00000
     12       4.8505     -0.00000
     13       6.2108     -0.00000
     14       6.8523     -0.00000
     15       7.2569     -0.00000
     16       8.6945      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38911
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2362     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38911
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2559     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38909
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2496     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38910
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2839     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38911
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2463     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1519      1.00000
      2      -2.2375      1.00000
      3      -0.8828      1.00000
      4      -0.6511      1.00000
      5       0.1770      1.00000
      6       0.8194      1.00000
      7       1.7536      1.00000
      8       1.8285      1.00000
      9       2.5504      1.00008
     10       3.1796      0.38911
     11       4.1348     -0.00000
     12       4.6572     -0.00000
     13       6.0494     -0.00000
     14       6.1534     -0.00000
     15       6.3712     -0.00000
     16       8.2779     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8792      1.00000
      2      -0.8640      1.00000
      3      -0.8380      1.00000
      4      -0.0266      1.00000
      5       0.0444      1.00000
      6       0.0560      1.00000
      7       1.0846      1.00000
      8       1.0898      1.00000
      9       1.7895      1.00000
     10       2.6817      1.00213
     11       4.0795     -0.00000
     12       4.1149     -0.00000
     13       5.9778     -0.00000
     14       6.0057     -0.00000
     15       6.0624     -0.00000
     16       8.0182     -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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  23.496  -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   1.881   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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469   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
115.793 -61.848   0.000  -0.083  -0.000  -0.000  -0.023   0.000
-61.848  33.035  -0.000   0.035   0.000   0.000   0.014  -0.000
  0.000  -0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.083   0.035   0.000   1.743   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
 -0.000   0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -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    422.0440: real time    425.0031
    FORNL :  cpu time      0.5007: real time      0.5059
    FORCOR:  cpu time      1.9678: real time      1.9785
    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
 -----------------------------------------------------------------------------------------------
   0.633E-06 0.647E-05 0.183E+03   0.439E-13 0.276E-13 -.182E+03   -.160E-05 -.738E-05 -.125E+01
   0.293E-05 0.667E-05 0.913E+02   0.292E-14 0.768E-15 -.913E+02   -.213E-05 -.646E-05 0.153E+00
   -.374E-05 0.157E-04 -.525E+00   -.149E-12 -.841E-13 0.529E+00   0.415E-05 -.188E-04 -.114E-01
   0.493E-05 0.754E-05 -.925E+02   0.136E-12 0.858E-13 0.924E+02   -.653E-05 -.101E-04 0.103E+00
   -.101E-04 -.218E-05 -.181E+03   -.429E-13 -.270E-13 0.180E+03   0.118E-04 0.216E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   -.600E-05 0.359E-04 -.258E-01   -.971E-14 0.313E-14 0.000E+00   0.572E-05 -.406E-04 0.322E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001      0.000000     -0.123699
      0.00000      0.00000      2.33311         0.000001      0.000001      0.107755
      1.42873      0.82488      4.65736         0.000000     -0.000002     -0.009223
      2.85746      1.64976      6.97957        -0.000001     -0.000001      0.006231
      0.00000      0.00000      9.36077         0.000001      0.000001      0.018936
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000006      0.008171


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90208784 eV

  energy  without entropy=      -13.89662566  energy(sigma->0) =      -13.90026712
 
 d Force =-0.3385129E-04[-0.414E-04,-0.263E-04]  d Energy =-0.3516546E-04 0.131E-05
 d Force =-0.3456344E+00[-0.346E+00,-0.346E+00]  d Ewald  =-0.3456344E+00 0.139E-08


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


    POTLOK:  cpu time      1.9687: real time      1.9794


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.233E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.5936
 eigenvalue spectrum of G is  3.5936


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


    WAVPRE:  cpu time      0.0061: real time      0.0758
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9687: real time      1.9802
    EDDIAG:  cpu time    587.5062: real time    592.2438
    CHARGE:  cpu time      0.2652: real time      0.2671
 writing wavefunctions
     LOOP+:  cpu time   4542.0540: real time   4579.3038


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


    POTLOK:  cpu time      0.7249: real time      0.7306
    SETDIJ:  cpu time      1.2504: real time      1.2555
    TRIAL :  cpu time    585.1889: real time    589.9956
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    587.4438: real time    592.2643

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3038490E-03  (-0.5218200E-03)
 number of electron      15.0000000 magnetization      -0.0000017
 augmentation part       -0.0008815 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.58040331
  -exchange      EXHF   =        33.26713124
  -V(xc)+E(xc)   XCENC  =       -83.54796095
  PAW double counting   =    100968.92832653  -100867.96969670
  entropy T*S    EENTRO =        -0.00546836
  eigenvalues    EBANDS =       -35.08792843
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90177912 eV

  energy without entropy =      -13.89631077  energy(sigma->0) =      -13.89995634
  exchange ACFDT corr.  =        -0.00528557  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7248: real time      0.7302
    SETDIJ:  cpu time      1.2489: real time      1.2542
    TRIAL :  cpu time    584.4008: real time    589.2426
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2641: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    586.6434: real time    591.4981

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9846840E-04  (-0.4136992E-03)
 number of electron      15.0000000 magnetization      -0.0000021
 augmentation part       -0.0008825 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.37772580
  -exchange      EXHF   =        33.26596791
  -V(xc)+E(xc)   XCENC  =       -83.54836631
  PAW double counting   =    100964.76398113  -100863.80532934
  entropy T*S    EENTRO =        -0.00546294
  eigenvalues    EBANDS =       -35.28916894
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90187759 eV

  energy without entropy =      -13.89641466  energy(sigma->0) =      -13.90005661
  exchange ACFDT corr.  =        -0.00527800  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7251: real time      0.7310
    SETDIJ:  cpu time      1.2492: real time      1.2543
    TRIAL :  cpu time    582.9351: real time    587.7653
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2656: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    585.1800: real time    590.0233

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1926731E-03  (-0.5430092E-04)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0008850 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.29477515
  -exchange      EXHF   =        33.26512404
  -V(xc)+E(xc)   XCENC  =       -83.54865871
  PAW double counting   =    100962.41251754  -100861.45381069
  entropy T*S    EENTRO =        -0.00546348
  eigenvalues    EBANDS =       -35.37123647
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207027 eV

  energy without entropy =      -13.89660679  energy(sigma->0) =      -13.90024911
  exchange ACFDT corr.  =        -0.00526855  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7259: real time      0.7314
    SETDIJ:  cpu time      1.2487: real time      1.2540
    TRIAL :  cpu time    584.2843: real time    589.0789
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    586.5286: real time    591.3360

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3351852E-04  (-0.7899247E-04)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0008884 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.32566134
  -exchange      EXHF   =        33.26487403
  -V(xc)+E(xc)   XCENC  =       -83.54874578
  PAW double counting   =    100961.58865433  -100860.62999561
  entropy T*S    EENTRO =        -0.00546052
  eigenvalues    EBANDS =       -35.33999806
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210378 eV

  energy without entropy =      -13.89664327  energy(sigma->0) =      -13.90028361
  exchange ACFDT corr.  =        -0.00526431  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7254: real time      0.7308
    SETDIJ:  cpu time      1.2485: real time      1.2536
    TRIAL :  cpu time    586.6086: real time    591.4125
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    588.8529: real time    593.6694

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1415599E-04  (-0.5321277E-04)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0008911 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.35497396
  -exchange      EXHF   =        33.26493797
  -V(xc)+E(xc)   XCENC  =       -83.54872760
  PAW double counting   =    100961.10632052  -100860.14768117
  entropy T*S    EENTRO =        -0.00545253
  eigenvalues    EBANDS =       -35.31076528
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90211794 eV

  energy without entropy =      -13.89666542  energy(sigma->0) =      -13.90030043
  exchange ACFDT corr.  =        -0.00526191  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7295
    SETDIJ:  cpu time      1.2516: real time      1.2568
    TRIAL :  cpu time    585.2971: real time    590.1000
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    587.5425: real time    592.3581

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2529277E-04  (-0.5517435E-05)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0008923 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.35479406
  -exchange      EXHF   =        33.26509630
  -V(xc)+E(xc)   XCENC  =       -83.54867872
  PAW double counting   =    100961.86361542  -100860.90502893
  entropy T*S    EENTRO =        -0.00544558
  eigenvalues    EBANDS =       -35.31113282
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214323 eV

  energy without entropy =      -13.89669765  energy(sigma->0) =      -13.90032804
  exchange ACFDT corr.  =        -0.00525693  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7304
    SETDIJ:  cpu time      1.2507: real time      1.2558
    TRIAL :  cpu time    584.3424: real time    589.1299
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    586.5884: real time    591.3886

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2744680E-05  (-0.1205434E-04)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0008923 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.34963234
  -exchange      EXHF   =        33.26523275
  -V(xc)+E(xc)   XCENC  =       -83.54863284
  PAW double counting   =    100963.65972742  -100862.70116579
  entropy T*S    EENTRO =        -0.00544227
  eigenvalues    EBANDS =       -35.31646170
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214598 eV

  energy without entropy =      -13.89670371  energy(sigma->0) =      -13.90033189
  exchange ACFDT corr.  =        -0.00525273  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7259: real time      0.7314
    SETDIJ:  cpu time      1.2504: real time      1.2556
    TRIAL :  cpu time    583.3827: real time    588.1833
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    586.6424: real time    591.3387
    CHARGE:  cpu time      0.2645: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time   1172.2706: real time   1181.7801

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2596105E-05  (-0.7396773E-05)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0008916 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.51284786
  -Hartree energ DENC   =      -700.36056080
  -exchange      EXHF   =        33.26537341
  -V(xc)+E(xc)   XCENC  =       -83.54859536
  PAW double counting   =    100965.97041564  -100865.01187598
  entropy T*S    EENTRO =        -0.00544016
  eigenvalues    EBANDS =       -35.30565609
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214857 eV

  energy without entropy =      -13.89670842  energy(sigma->0) =      -13.90033519
  exchange ACFDT corr.  =        -0.00525058  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9580


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8942       2 -69.7817       3 -69.7822       4 -69.7785       5 -69.8992
 
 
 
 E-fermi :   3.1532     XC(G=0):  -5.1201     alpha+bet : -8.9779

 Fermi energy:         3.1532254292

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8932      1.00000
      2      -9.9902      1.00000
      3      -8.6226      1.00000
      4      -6.7606      1.00000
      5      -4.3337      1.00000
      6      -1.5911      1.00000
      7       1.6202      1.00000
      8       4.6294     -0.00000
      9       5.4116     -0.00000
     10       7.9276     -0.00000
     11       7.9894     -0.00000
     12      11.8916      0.00000
     13      12.1844      0.00000
     14      16.0634      0.00000
     15      16.1332      0.00000
     16      16.2266      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7811      1.00000
      3      -8.4125      1.00000
      4      -6.5487      1.00000
      5      -4.1177      1.00000
      6      -1.3810      1.00000
      7       1.8338      1.00000
      8       4.8122     -0.00000
      9       5.5860     -0.00000
     10       8.0955     -0.00000
     11       8.1544     -0.00000
     12      12.0199      0.00000
     13      12.2805      0.00000
     14      13.1189      0.00000
     15      13.8531      0.00000
     16      14.3343      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7811      1.00000
      3      -8.4125      1.00000
      4      -6.5487      1.00000
      5      -4.1177      1.00000
      6      -1.3810      1.00000
      7       1.8338      1.00000
      8       4.8122     -0.00000
      9       5.5860     -0.00000
     10       8.0955     -0.00000
     11       8.1544     -0.00000
     12      12.0199      0.00000
     13      12.2805      0.00000
     14      13.1189      0.00000
     15      13.8524      0.00000
     16      14.4085      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7811      1.00000
      3      -8.4125      1.00000
      4      -6.5487      1.00000
      5      -4.1177      1.00000
      6      -1.3810      1.00000
      7       1.8338      1.00000
      8       4.8122     -0.00000
      9       5.5860     -0.00000
     10       8.0955     -0.00000
     11       8.1544     -0.00000
     12      12.0199      0.00000
     13      12.2805      0.00000
     14      13.1189      0.00000
     15      13.8525      0.00000
     16      14.3335      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0592      1.00000
      2      -9.1537      1.00000
      3      -7.7818      1.00000
      4      -5.9131      1.00000
      5      -3.4708      1.00000
      6      -0.7517      1.00000
      7       2.4601      1.00001
      8       5.3438     -0.00000
      9       6.1038     -0.00000
     10       8.4794     -0.00000
     11       8.6271      0.00000
     12       9.7276      0.00000
     13      10.2717      0.00000
     14      11.3740      0.00000
     15      12.5036      0.00000
     16      12.7714      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0592      1.00000
      2      -9.1537      1.00000
      3      -7.7818      1.00000
      4      -5.9131      1.00000
      5      -3.4708      1.00000
      6      -0.7517      1.00000
      7       2.4601      1.00001
      8       5.3438     -0.00000
      9       6.1038     -0.00000
     10       8.4794     -0.00000
     11       8.6271      0.00000
     12       9.7276      0.00000
     13      10.2717      0.00000
     14      11.3740      0.00000
     15      12.5061      0.00000
     16      12.8019      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0592      1.00000
      2      -9.1537      1.00000
      3      -7.7818      1.00000
      4      -5.9131      1.00000
      5      -3.4708      1.00000
      6      -0.7517      1.00000
      7       2.4601      1.00001
      8       5.3438     -0.00000
      9       6.1038     -0.00000
     10       8.4794     -0.00000
     11       8.6271      0.00000
     12       9.7276      0.00000
     13      10.2717      0.00000
     14      11.3740      0.00000
     15      12.5070      0.00000
     16      12.8531      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.1070      1.00000
      3      -6.7296      1.00000
      4      -4.8538      1.00000
      5      -2.3989      1.00000
      6       0.2860      1.00000
      7       3.4175     -0.03412
      8       5.6438     -0.00000
      9       6.5429     -0.00000
     10       6.8647     -0.00000
     11       7.0505     -0.00000
     12       8.0620     -0.00000
     13       9.4032      0.00000
     14       9.5808      0.00000
     15       9.8052      0.00000
     16      11.5906      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.1070      1.00000
      3      -6.7296      1.00000
      4      -4.8538      1.00000
      5      -2.3989      1.00000
      6       0.2860      1.00000
      7       3.4175     -0.03412
      8       5.6438     -0.00000
      9       6.5429     -0.00000
     10       6.8647     -0.00000
     11       7.0505     -0.00000
     12       8.0620     -0.00000
     13       9.4032      0.00000
     14       9.5808      0.00000
     15       9.8052      0.00000
     16      11.5972      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.1070      1.00000
      3      -6.7296      1.00000
      4      -4.8538      1.00000
      5      -2.3989      1.00000
      6       0.2860      1.00000
      7       3.4175     -0.03412
      8       5.6438     -0.00000
      9       6.5429     -0.00000
     10       6.8647     -0.00000
     11       7.0505     -0.00000
     12       8.0620     -0.00000
     13       9.4032      0.00000
     14       9.5808      0.00000
     15       9.8052      0.00000
     16      11.6189      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6386      1.00000
      3      -5.2543      1.00000
      4      -3.3747      1.00000
      5      -0.9330      1.00000
      6       1.5755      1.00000
      7       2.5456      1.00008
      8       3.5235     -0.01255
      9       4.7987     -0.00000
     10       5.1335     -0.00000
     11       6.5233     -0.00000
     12       7.6517     -0.00000
     13       8.2128     -0.00000
     14       8.7124      0.00000
     15      10.5163      0.00000
     16      10.8294      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6386      1.00000
      3      -5.2543      1.00000
      4      -3.3747      1.00000
      5      -0.9330      1.00000
      6       1.5755      1.00000
      7       2.5456      1.00008
      8       3.5235     -0.01255
      9       4.7987     -0.00000
     10       5.1335     -0.00000
     11       6.5233     -0.00000
     12       7.6517     -0.00000
     13       8.2128     -0.00000
     14       8.7124      0.00000
     15      10.5164      0.00000
     16      10.8289      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6386      1.00000
      3      -5.2543      1.00000
      4      -3.3747      1.00000
      5      -0.9330      1.00000
      6       1.5755      1.00000
      7       2.5456      1.00008
      8       3.5235     -0.01255
      9       4.7987     -0.00000
     10       5.1335     -0.00000
     11       6.5233     -0.00000
     12       7.6517     -0.00000
     13       8.2128     -0.00000
     14       8.7124      0.00000
     15      10.5162      0.00000
     16      10.8285      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6670      1.00000
      2      -4.7460      1.00000
      3      -3.3607      1.00000
      4      -1.5217      1.00000
      5      -0.6698      1.00000
      6       0.1161      1.00000
      7       1.1145      1.00000
      8       2.0152      1.00000
      9       3.6479     -0.00130
     10       3.7429     -0.00012
     11       5.9349     -0.00000
     12       6.7095     -0.00000
     13       8.2344     -0.00000
     14       9.1960      0.00000
     15       9.7525      0.00000
     16      10.5979      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6670      1.00000
      2      -4.7460      1.00000
      3      -3.3607      1.00000
      4      -1.5217      1.00000
      5      -0.6698      1.00000
      6       0.1161      1.00000
      7       1.1145      1.00000
      8       2.0152      1.00000
      9       3.6479     -0.00130
     10       3.7429     -0.00012
     11       5.9349     -0.00000
     12       6.7095     -0.00000
     13       8.2344     -0.00000
     14       9.1960      0.00000
     15       9.7525      0.00000
     16      10.4040      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6670      1.00000
      2      -4.7460      1.00000
      3      -3.3607      1.00000
      4      -1.5217      1.00000
      5      -0.6698      1.00000
      6       0.1161      1.00000
      7       1.1145      1.00000
      8       2.0152      1.00000
      9       3.6479     -0.00130
     10       3.7429     -0.00012
     11       5.9349     -0.00000
     12       6.7095     -0.00000
     13       8.2344     -0.00000
     14       9.1960      0.00000
     15       9.7524      0.00000
     16      10.4434      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3688      1.00000
      2      -3.3466      1.00000
      3      -2.4497      1.00000
      4      -2.4356      1.00000
      5      -1.2978      1.00000
      6      -0.9043      1.00000
      7       0.6392      1.00000
      8       1.3816      1.00000
      9       3.3872     -0.03497
     10       3.5261     -0.01195
     11       5.6750     -0.00000
     12       6.0170     -0.00000
     13       8.4082     -0.00000
     14       8.8626      0.00000
     15      10.2328      0.00000
     16      10.5380      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3688      1.00000
      2      -3.3466      1.00000
      3      -2.4497      1.00000
      4      -2.4356      1.00000
      5      -1.2978      1.00000
      6      -0.9043      1.00000
      7       0.6392      1.00000
      8       1.3816      1.00000
      9       3.3872     -0.03497
     10       3.5261     -0.01195
     11       5.6750     -0.00000
     12       6.0170     -0.00000
     13       8.4082     -0.00000
     14       8.8626      0.00000
     15      10.2350      0.00000
     16      10.5497      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3688      1.00000
      2      -3.3466      1.00000
      3      -2.4497      1.00000
      4      -2.4356      1.00000
      5      -1.2978      1.00000
      6      -0.9043      1.00000
      7       0.6392      1.00000
      8       1.3816      1.00000
      9       3.3872     -0.03497
     10       3.5261     -0.01195
     11       5.6750     -0.00000
     12       6.0170     -0.00000
     13       8.4082     -0.00000
     14       8.8626      0.00000
     15      10.2324      0.00000
     16      10.5375      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3629      1.00000
      3      -7.9921      1.00000
      4      -6.1250      1.00000
      5      -3.6862      1.00000
      6      -0.9612      1.00000
      7       2.2542      1.00000
      8       5.1712     -0.00000
      9       5.9326     -0.00000
     10       8.4202     -0.00000
     11       8.4626     -0.00000
     12      11.4261      0.00000
     13      11.4425      0.00000
     14      11.8858      0.00000
     15      12.0133      0.00000
     16      12.6594      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3629      1.00000
      3      -7.9921      1.00000
      4      -6.1250      1.00000
      5      -3.6862      1.00000
      6      -0.9612      1.00000
      7       2.2542      1.00000
      8       5.1712     -0.00000
      9       5.9326     -0.00000
     10       8.4202     -0.00000
     11       8.4626     -0.00000
     12      11.4260      0.00000
     13      11.4439      0.00000
     14      11.8865      0.00000
     15      12.0131      0.00000
     16      12.6573      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3629      1.00000
      3      -7.9921      1.00000
      4      -6.1250      1.00000
      5      -3.6862      1.00000
      6      -0.9612      1.00000
      7       2.2542      1.00000
      8       5.1712     -0.00000
      9       5.9326     -0.00000
     10       8.4202     -0.00000
     11       8.4626     -0.00000
     12      11.4260      0.00000
     13      11.4421      0.00000
     14      11.8866      0.00000
     15      12.0154      0.00000
     16      12.6593      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7183      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84997
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1796      0.00000
     16      10.7176      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7179      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7177      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7185      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84997
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8326      0.00000
     15      10.1797      0.00000
     16      10.7175      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5515      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8964      0.00000
     15       9.5975      0.00000
     16      10.1698      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5515      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8962      0.00000
     15       9.5979      0.00000
     16      10.0589      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5515      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8971      0.00000
     15       9.6020      0.00000
     16      10.2567      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8987      0.00000
     15       9.5979      0.00000
     16      10.2499      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5515      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8962      0.00000
     15       9.5967      0.00000
     16      10.0884      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5515      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8981      0.00000
     15       9.8710      0.00000
     16      10.1940      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6518      0.00000
     15       9.1005      0.00000
     16       9.1254      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6517      0.00000
     15       9.1005      0.00000
     16       9.1251      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6516      0.00000
     15       9.1005      0.00000
     16       9.1240      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6516      0.00000
     15       9.1005      0.00000
     16       9.1247      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6518      0.00000
     15       9.1005      0.00000
     16       9.1258      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6516      0.00000
     15       9.1008      0.00000
     16       9.1240      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.7007      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.7126      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8389      0.00000
     16       9.7173      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6971      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6963      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.7223      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3899      1.00000
      2      -7.4784      1.00000
      3      -6.0977      1.00000
      4      -4.2187      1.00000
      5      -1.7612      1.00000
      6       0.9003      1.00000
      7       3.9577     -0.00000
      8       6.0168     -0.00000
      9       6.4926     -0.00000
     10       7.2267     -0.00000
     11       7.3180     -0.00000
     12       7.4859     -0.00000
     13       7.6010     -0.00000
     14       8.3741     -0.00000
     15       8.7399      0.00000
     16      10.0556      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3899      1.00000
      2      -7.4784      1.00000
      3      -6.0977      1.00000
      4      -4.2187      1.00000
      5      -1.7612      1.00000
      6       0.9003      1.00000
      7       3.9577     -0.00000
      8       6.0168     -0.00000
      9       6.4926     -0.00000
     10       7.2267     -0.00000
     11       7.3180     -0.00000
     12       7.4859     -0.00000
     13       7.6010     -0.00000
     14       8.3741     -0.00000
     15       8.7399      0.00000
     16      10.0621      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3899      1.00000
      2      -7.4784      1.00000
      3      -6.0977      1.00000
      4      -4.2187      1.00000
      5      -1.7612      1.00000
      6       0.9003      1.00000
      7       3.9577     -0.00000
      8       6.0168     -0.00000
      9       6.4926     -0.00000
     10       7.2267     -0.00000
     11       7.3180     -0.00000
     12       7.4859     -0.00000
     13       7.6010     -0.00000
     14       8.3741     -0.00000
     15       8.7399      0.00000
     16      10.0543      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4152     -0.00000
     16       8.7566      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57440
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4152     -0.00000
     16       8.7575      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4154     -0.00000
     16       8.7568      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4154     -0.00000
     16       8.7567      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4151     -0.00000
     16       8.7577      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57440
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4152     -0.00000
     16       8.7565      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8449      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8485      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8463      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8697      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8784      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8801      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7431      1.00000
      2      -2.7206      1.00000
      3      -1.8241      1.00000
      4      -1.8156      1.00000
      5      -0.6836      1.00000
      6      -0.2912      1.00000
      7       1.2396      1.00000
      8       1.9733      1.00000
      9       3.7750     -0.00005
     10       3.9026     -0.00000
     11       4.7178     -0.00000
     12       5.7539     -0.00000
     13       6.3935     -0.00000
     14       6.7528     -0.00000
     15       7.1232     -0.00000
     16       8.7454      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7431      1.00000
      2      -2.7206      1.00000
      3      -1.8241      1.00000
      4      -1.8156      1.00000
      5      -0.6836      1.00000
      6      -0.2912      1.00000
      7       1.2396      1.00000
      8       1.9733      1.00000
      9       3.7750     -0.00005
     10       3.9026     -0.00000
     11       4.7178     -0.00000
     12       5.7539     -0.00000
     13       6.3935     -0.00000
     14       6.7528     -0.00000
     15       7.1232     -0.00000
     16       8.7176      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7431      1.00000
      2      -2.7206      1.00000
      3      -1.8241      1.00000
      4      -1.8156      1.00000
      5      -0.6836      1.00000
      6      -0.2912      1.00000
      7       1.2396      1.00000
      8       1.9733      1.00000
      9       3.7750     -0.00005
     10       3.9026     -0.00000
     11       4.7178     -0.00000
     12       5.7539     -0.00000
     13       6.3935     -0.00000
     14       6.7528     -0.00000
     15       7.1232     -0.00000
     16       8.7142      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2497      1.00000
      2      -4.3279      1.00000
      3      -2.9404      1.00000
      4      -1.0856      1.00000
      5       1.1512      1.00000
      6       2.0974      1.00000
      7       2.2614      1.00000
      8       2.9846      1.00046
      9       3.4390     -0.03067
     10       4.2257     -0.00000
     11       4.4853     -0.00000
     12       4.8520     -0.00000
     13       6.2100     -0.00000
     14       6.8510     -0.00000
     15       7.2531     -0.00000
     16       8.6882      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2497      1.00000
      2      -4.3279      1.00000
      3      -2.9404      1.00000
      4      -1.0856      1.00000
      5       1.1512      1.00000
      6       2.0974      1.00000
      7       2.2614      1.00000
      8       2.9846      1.00046
      9       3.4390     -0.03067
     10       4.2257     -0.00000
     11       4.4853     -0.00000
     12       4.8520     -0.00000
     13       6.2100     -0.00000
     14       6.8510     -0.00000
     15       7.2531     -0.00000
     16       8.6972      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2497      1.00000
      2      -4.3279      1.00000
      3      -2.9405      1.00000
      4      -1.0856      1.00000
      5       1.1512      1.00000
      6       2.0974      1.00000
      7       2.2614      1.00000
      8       2.9846      1.00047
      9       3.4390     -0.03067
     10       4.2257     -0.00000
     11       4.4853     -0.00000
     12       4.8520     -0.00000
     13       6.2100     -0.00000
     14       6.8510     -0.00000
     15       7.2531     -0.00000
     16       8.7003      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38864
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2274     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8199      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38866
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2619     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38864
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2360     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38864
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2386     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38865
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2344     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38865
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.4145     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8617      1.00000
      3      -0.8375      1.00000
      4      -0.0232      1.00000
      5       0.0445      1.00000
      6       0.0633      1.00000
      7       1.0871      1.00000
      8       1.0940      1.00000
      9       1.7911      1.00000
     10       2.6808      1.00209
     11       4.0862     -0.00000
     12       4.1055     -0.00000
     13       5.9750     -0.00000
     14       6.0031     -0.00000
     15       6.0595     -0.00000
     16       8.0147     -0.00000
 Fermi energy:         3.1532254292

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8932      1.00000
      2      -9.9902      1.00000
      3      -8.6226      1.00000
      4      -6.7606      1.00000
      5      -4.3337      1.00000
      6      -1.5911      1.00000
      7       1.6202      1.00000
      8       4.6294     -0.00000
      9       5.4116     -0.00000
     10       7.9276     -0.00000
     11       7.9894     -0.00000
     12      11.8916      0.00000
     13      12.1844      0.00000
     14      16.0631      0.00000
     15      16.2089      0.00000
     16      16.3595      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7811      1.00000
      3      -8.4125      1.00000
      4      -6.5487      1.00000
      5      -4.1177      1.00000
      6      -1.3810      1.00000
      7       1.8338      1.00000
      8       4.8122     -0.00000
      9       5.5860     -0.00000
     10       8.0955     -0.00000
     11       8.1544     -0.00000
     12      12.0199      0.00000
     13      12.2805      0.00000
     14      13.1189      0.00000
     15      13.8527      0.00000
     16      14.3247      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7811      1.00000
      3      -8.4125      1.00000
      4      -6.5487      1.00000
      5      -4.1177      1.00000
      6      -1.3810      1.00000
      7       1.8338      1.00000
      8       4.8122     -0.00000
      9       5.5860     -0.00000
     10       8.0955     -0.00000
     11       8.1544     -0.00000
     12      12.0199      0.00000
     13      12.2805      0.00000
     14      13.1189      0.00000
     15      13.8526      0.00000
     16      14.3229      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7811      1.00000
      3      -8.4125      1.00000
      4      -6.5487      1.00000
      5      -4.1177      1.00000
      6      -1.3810      1.00000
      7       1.8338      1.00000
      8       4.8122     -0.00000
      9       5.5860     -0.00000
     10       8.0955     -0.00000
     11       8.1544     -0.00000
     12      12.0199      0.00000
     13      12.2805      0.00000
     14      13.1189      0.00000
     15      13.8532      0.00000
     16      14.3302      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0592      1.00000
      2      -9.1537      1.00000
      3      -7.7818      1.00000
      4      -5.9131      1.00000
      5      -3.4708      1.00000
      6      -0.7517      1.00000
      7       2.4601      1.00001
      8       5.3438     -0.00000
      9       6.1039     -0.00000
     10       8.4794     -0.00000
     11       8.6271      0.00000
     12       9.7276      0.00000
     13      10.2717      0.00000
     14      11.3740      0.00000
     15      12.5107      0.00000
     16      12.8512      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0592      1.00000
      2      -9.1537      1.00000
      3      -7.7818      1.00000
      4      -5.9131      1.00000
      5      -3.4708      1.00000
      6      -0.7517      1.00000
      7       2.4601      1.00001
      8       5.3438     -0.00000
      9       6.1039     -0.00000
     10       8.4794     -0.00000
     11       8.6271      0.00000
     12       9.7276      0.00000
     13      10.2717      0.00000
     14      11.3740      0.00000
     15      12.5039      0.00000
     16      12.7702      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0592      1.00000
      2      -9.1537      1.00000
      3      -7.7818      1.00000
      4      -5.9131      1.00000
      5      -3.4708      1.00000
      6      -0.7517      1.00000
      7       2.4601      1.00001
      8       5.3438     -0.00000
      9       6.1039     -0.00000
     10       8.4794     -0.00000
     11       8.6271      0.00000
     12       9.7276      0.00000
     13      10.2717      0.00000
     14      11.3740      0.00000
     15      12.5069      0.00000
     16      12.8174      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.1070      1.00000
      3      -6.7296      1.00000
      4      -4.8538      1.00000
      5      -2.3989      1.00000
      6       0.2860      1.00000
      7       3.4175     -0.03412
      8       5.6438     -0.00000
      9       6.5429     -0.00000
     10       6.8647     -0.00000
     11       7.0505     -0.00000
     12       8.0620     -0.00000
     13       9.4032      0.00000
     14       9.5808      0.00000
     15       9.8052      0.00000
     16      11.5926      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.1070      1.00000
      3      -6.7296      1.00000
      4      -4.8538      1.00000
      5      -2.3989      1.00000
      6       0.2860      1.00000
      7       3.4175     -0.03412
      8       5.6438     -0.00000
      9       6.5429     -0.00000
     10       6.8647     -0.00000
     11       7.0505     -0.00000
     12       8.0620     -0.00000
     13       9.4032      0.00000
     14       9.5808      0.00000
     15       9.8052      0.00000
     16      11.6136      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.1070      1.00000
      3      -6.7296      1.00000
      4      -4.8538      1.00000
      5      -2.3989      1.00000
      6       0.2860      1.00000
      7       3.4175     -0.03412
      8       5.6438     -0.00000
      9       6.5429     -0.00000
     10       6.8647     -0.00000
     11       7.0505     -0.00000
     12       8.0620     -0.00000
     13       9.4032      0.00000
     14       9.5808      0.00000
     15       9.8052      0.00000
     16      11.5999      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6386      1.00000
      3      -5.2543      1.00000
      4      -3.3747      1.00000
      5      -0.9330      1.00000
      6       1.5755      1.00000
      7       2.5456      1.00008
      8       3.5235     -0.01255
      9       4.7987     -0.00000
     10       5.1335     -0.00000
     11       6.5233     -0.00000
     12       7.6517     -0.00000
     13       8.2128     -0.00000
     14       8.7124      0.00000
     15      10.5156      0.00000
     16      10.8292      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6386      1.00000
      3      -5.2543      1.00000
      4      -3.3747      1.00000
      5      -0.9330      1.00000
      6       1.5755      1.00000
      7       2.5456      1.00008
      8       3.5235     -0.01255
      9       4.7987     -0.00000
     10       5.1335     -0.00000
     11       6.5233     -0.00000
     12       7.6517     -0.00000
     13       8.2128     -0.00000
     14       8.7124      0.00000
     15      10.5177      0.00000
     16      10.8318      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6386      1.00000
      3      -5.2543      1.00000
      4      -3.3747      1.00000
      5      -0.9330      1.00000
      6       1.5755      1.00000
      7       2.5456      1.00008
      8       3.5235     -0.01255
      9       4.7987     -0.00000
     10       5.1335     -0.00000
     11       6.5233     -0.00000
     12       7.6517     -0.00000
     13       8.2128     -0.00000
     14       8.7124      0.00000
     15      10.5174      0.00000
     16      10.8326      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6670      1.00000
      2      -4.7460      1.00000
      3      -3.3607      1.00000
      4      -1.5217      1.00000
      5      -0.6698      1.00000
      6       0.1161      1.00000
      7       1.1144      1.00000
      8       2.0152      1.00000
      9       3.6479     -0.00131
     10       3.7429     -0.00012
     11       5.9349     -0.00000
     12       6.7095     -0.00000
     13       8.2344     -0.00000
     14       9.1960      0.00000
     15       9.7524      0.00000
     16      10.4555      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6670      1.00000
      2      -4.7460      1.00000
      3      -3.3607      1.00000
      4      -1.5217      1.00000
      5      -0.6698      1.00000
      6       0.1161      1.00000
      7       1.1144      1.00000
      8       2.0152      1.00000
      9       3.6479     -0.00131
     10       3.7429     -0.00012
     11       5.9349     -0.00000
     12       6.7095     -0.00000
     13       8.2344     -0.00000
     14       9.1960      0.00000
     15       9.7524      0.00000
     16      10.4982      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6670      1.00000
      2      -4.7460      1.00000
      3      -3.3607      1.00000
      4      -1.5217      1.00000
      5      -0.6698      1.00000
      6       0.1161      1.00000
      7       1.1144      1.00000
      8       2.0152      1.00000
      9       3.6479     -0.00131
     10       3.7429     -0.00012
     11       5.9349     -0.00000
     12       6.7095     -0.00000
     13       8.2344     -0.00000
     14       9.1960      0.00000
     15       9.7525      0.00000
     16      10.5027      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3688      1.00000
      2      -3.3466      1.00000
      3      -2.4497      1.00000
      4      -2.4356      1.00000
      5      -1.2978      1.00000
      6      -0.9043      1.00000
      7       0.6392      1.00000
      8       1.3816      1.00000
      9       3.3872     -0.03497
     10       3.5261     -0.01195
     11       5.6750     -0.00000
     12       6.0170     -0.00000
     13       8.4082     -0.00000
     14       8.8626      0.00000
     15      10.2744      0.00000
     16      10.6068      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3688      1.00000
      2      -3.3466      1.00000
      3      -2.4497      1.00000
      4      -2.4356      1.00000
      5      -1.2978      1.00000
      6      -0.9043      1.00000
      7       0.6392      1.00000
      8       1.3816      1.00000
      9       3.3872     -0.03497
     10       3.5261     -0.01195
     11       5.6750     -0.00000
     12       6.0170     -0.00000
     13       8.4082     -0.00000
     14       8.8626      0.00000
     15      10.2326      0.00000
     16      10.5403      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3688      1.00000
      2      -3.3466      1.00000
      3      -2.4497      1.00000
      4      -2.4356      1.00000
      5      -1.2978      1.00000
      6      -0.9043      1.00000
      7       0.6392      1.00000
      8       1.3816      1.00000
      9       3.3872     -0.03497
     10       3.5261     -0.01195
     11       5.6750     -0.00000
     12       6.0170     -0.00000
     13       8.4082     -0.00000
     14       8.8626      0.00000
     15      10.2552      0.00000
     16      10.5386      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3629      1.00000
      3      -7.9921      1.00000
      4      -6.1250      1.00000
      5      -3.6862      1.00000
      6      -0.9612      1.00000
      7       2.2542      1.00000
      8       5.1712     -0.00000
      9       5.9327     -0.00000
     10       8.4202     -0.00000
     11       8.4627     -0.00000
     12      11.4260      0.00000
     13      11.4420      0.00000
     14      11.8860      0.00000
     15      12.0145      0.00000
     16      12.6521      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3629      1.00000
      3      -7.9921      1.00000
      4      -6.1250      1.00000
      5      -3.6862      1.00000
      6      -0.9612      1.00000
      7       2.2542      1.00000
      8       5.1712     -0.00000
      9       5.9327     -0.00000
     10       8.4202     -0.00000
     11       8.4627     -0.00000
     12      11.4260      0.00000
     13      11.4420      0.00000
     14      11.8868      0.00000
     15      12.0149      0.00000
     16      12.6389      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3629      1.00000
      3      -7.9921      1.00000
      4      -6.1250      1.00000
      5      -3.6862      1.00000
      6      -0.9612      1.00000
      7       2.2542      1.00000
      8       5.1712     -0.00000
      9       5.9327     -0.00000
     10       8.4202     -0.00000
     11       8.4627     -0.00000
     12      11.4260      0.00000
     13      11.4422      0.00000
     14      11.8854      0.00000
     15      12.0279      0.00000
     16      12.7124      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7176      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1798      0.00000
     16      10.7182      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8326      0.00000
     15      10.1797      0.00000
     16      10.7175      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1796      0.00000
     16      10.7176      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7176      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.5259      1.00000
      3      -7.1507      1.00000
      4      -5.2775      1.00000
      5      -2.8264      1.00000
      6      -0.1260      1.00000
      7       3.0597      0.84998
      8       5.8228     -0.00000
      9       6.6012     -0.00000
     10       7.8571     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1797      0.00000
     16      10.7175      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6804     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8962      0.00000
     15       9.5961      0.00000
     16      10.0630      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8970      0.00000
     15       9.5972      0.00000
     16      10.1594      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8964      0.00000
     15       9.5961      0.00000
     16      10.1230      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8966      0.00000
     15       9.5967      0.00000
     16      10.1222      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8963      0.00000
     15       9.6006      0.00000
     16      10.2735      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1808      1.00000
      2      -7.2685      1.00000
      3      -5.8869      1.00000
      4      -4.0074      1.00000
      5      -1.5516      1.00000
      6       1.0920      1.00000
      7       3.8114     -0.00002
      8       4.6805     -0.00000
      9       5.4030     -0.00000
     10       6.5068     -0.00000
     11       7.0871     -0.00000
     12       7.6969     -0.00000
     13       8.1797     -0.00000
     14       8.8961      0.00000
     15       9.5961      0.00000
     16      10.1508      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6517      0.00000
     15       9.1010      0.00000
     16       9.1250      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6517      0.00000
     15       9.1005      0.00000
     16       9.1254      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6516      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6516      0.00000
     15       9.1006      0.00000
     16       9.1244      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6516      0.00000
     15       9.1005      0.00000
     16       9.1240      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5065      1.00000
      2      -5.5880      1.00000
      3      -4.2008      1.00000
      4      -2.3281      1.00000
      5       0.0174      1.00000
      6       0.9987      1.00000
      7       1.9761      1.00000
      8       2.9857      0.99875
      9       3.5204     -0.01310
     10       5.1943     -0.00000
     11       5.9047     -0.00000
     12       7.3274     -0.00000
     13       7.9793     -0.00000
     14       8.6517      0.00000
     15       9.1005      0.00000
     16       9.1245      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6964      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.7006      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.7013      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6970      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6963      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4076      1.00000
      2      -3.4862      1.00000
      3      -2.1176      1.00000
      4      -1.8960      1.00000
      5      -1.0427      1.00000
      6      -0.3611      1.00000
      7       0.6410      1.00000
      8       2.2900      1.00000
      9       2.6649      1.00151
     10       4.7338     -0.00000
     11       4.9059     -0.00000
     12       7.0256     -0.00000
     13       7.4889     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.7113      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3899      1.00000
      2      -7.4784      1.00000
      3      -6.0977      1.00000
      4      -4.2187      1.00000
      5      -1.7612      1.00000
      6       0.9003      1.00000
      7       3.9577     -0.00000
      8       6.0168     -0.00000
      9       6.4926     -0.00000
     10       7.2267     -0.00000
     11       7.3180     -0.00000
     12       7.4859     -0.00000
     13       7.6010     -0.00000
     14       8.3741     -0.00000
     15       8.7399      0.00000
     16      10.0584      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3899      1.00000
      2      -7.4784      1.00000
      3      -6.0977      1.00000
      4      -4.2187      1.00000
      5      -1.7612      1.00000
      6       0.9003      1.00000
      7       3.9577     -0.00000
      8       6.0168     -0.00000
      9       6.4926     -0.00000
     10       7.2267     -0.00000
     11       7.3180     -0.00000
     12       7.4859     -0.00000
     13       7.6010     -0.00000
     14       8.3741     -0.00000
     15       8.7399      0.00000
     16      10.0520      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3899      1.00000
      2      -7.4784      1.00000
      3      -6.0977      1.00000
      4      -4.2187      1.00000
      5      -1.7612      1.00000
      6       0.9003      1.00000
      7       3.9577     -0.00000
      8       6.0168     -0.00000
      9       6.4926     -0.00000
     10       7.2267     -0.00000
     11       7.3180     -0.00000
     12       7.4859     -0.00000
     13       7.6010     -0.00000
     14       8.3741     -0.00000
     15       8.7399      0.00000
     16      10.0622      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4152     -0.00000
     16       8.7565      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4154     -0.00000
     16       8.7569      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4151     -0.00000
     16       8.7572      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4151     -0.00000
     16       8.7570      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4153     -0.00000
     16       8.7565      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -6.0091      1.00000
      3      -4.6223      1.00000
      4      -2.7429      1.00000
      5      -0.3129      1.00000
      6       2.1604      1.00000
      7       3.1344      0.57441
      8       4.0982     -0.00000
      9       5.0875     -0.00000
     10       5.3546     -0.00000
     11       5.9052     -0.00000
     12       6.4798     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4152     -0.00000
     16       8.7575      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8489      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8327      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8486      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8541      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8614      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0390      1.00000
      2      -4.1171      1.00000
      3      -2.7324      1.00000
      4      -0.9038      1.00000
      5      -0.0532      1.00000
      6       0.7181      1.00000
      7       1.7051      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8667     -0.00000
     12       5.7266     -0.00000
     13       6.6247     -0.00000
     14       7.3956     -0.00000
     15       7.5244     -0.00000
     16       8.8743      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7431      1.00000
      2      -2.7206      1.00000
      3      -1.8241      1.00000
      4      -1.8156      1.00000
      5      -0.6836      1.00000
      6      -0.2912      1.00000
      7       1.2396      1.00000
      8       1.9733      1.00000
      9       3.7750     -0.00005
     10       3.9026     -0.00000
     11       4.7178     -0.00000
     12       5.7539     -0.00000
     13       6.3935     -0.00000
     14       6.7528     -0.00000
     15       7.1232     -0.00000
     16       8.6820      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7431      1.00000
      2      -2.7206      1.00000
      3      -1.8241      1.00000
      4      -1.8156      1.00000
      5      -0.6836      1.00000
      6      -0.2912      1.00000
      7       1.2396      1.00000
      8       1.9733      1.00000
      9       3.7750     -0.00005
     10       3.9026     -0.00000
     11       4.7178     -0.00000
     12       5.7539     -0.00000
     13       6.3935     -0.00000
     14       6.7528     -0.00000
     15       7.1232     -0.00000
     16       8.6782      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7431      1.00000
      2      -2.7206      1.00000
      3      -1.8241      1.00000
      4      -1.8156      1.00000
      5      -0.6836      1.00000
      6      -0.2912      1.00000
      7       1.2396      1.00000
      8       1.9733      1.00000
      9       3.7750     -0.00005
     10       3.9026     -0.00000
     11       4.7178     -0.00000
     12       5.7539     -0.00000
     13       6.3935     -0.00000
     14       6.7528     -0.00000
     15       7.1232     -0.00000
     16       8.6986      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2497      1.00000
      2      -4.3279      1.00000
      3      -2.9405      1.00000
      4      -1.0856      1.00000
      5       1.1512      1.00000
      6       2.0974      1.00000
      7       2.2614      1.00000
      8       2.9846      1.00047
      9       3.4390     -0.03067
     10       4.2257     -0.00000
     11       4.4853     -0.00000
     12       4.8520     -0.00000
     13       6.2100     -0.00000
     14       6.8510     -0.00000
     15       7.2531     -0.00000
     16       8.6920      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2497      1.00000
      2      -4.3279      1.00000
      3      -2.9405      1.00000
      4      -1.0856      1.00000
      5       1.1512      1.00000
      6       2.0974      1.00000
      7       2.2614      1.00000
      8       2.9846      1.00047
      9       3.4390     -0.03067
     10       4.2257     -0.00000
     11       4.4853     -0.00000
     12       4.8520     -0.00000
     13       6.2100     -0.00000
     14       6.8510     -0.00000
     15       7.2531     -0.00000
     16       8.6887      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2497      1.00000
      2      -4.3279      1.00000
      3      -2.9405      1.00000
      4      -1.0856      1.00000
      5       1.1512      1.00000
      6       2.0974      1.00000
      7       2.2614      1.00000
      8       2.9846      1.00047
      9       3.4390     -0.03067
     10       4.2257     -0.00000
     11       4.4853     -0.00000
     12       4.8520     -0.00000
     13       6.2100     -0.00000
     14       6.8510     -0.00000
     15       7.2531     -0.00000
     16       8.6912      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38866
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2340     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38866
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2494     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38868
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2442     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38868
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2752     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38866
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2417     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2337      1.00000
      3      -0.8802      1.00000
      4      -0.6506      1.00000
      5       0.1806      1.00000
      6       0.8198      1.00000
      7       1.7541      1.00000
      8       1.8298      1.00000
      9       2.5532      1.00009
     10       3.1800      0.38866
     11       4.1333     -0.00000
     12       4.6575     -0.00000
     13       6.0483     -0.00000
     14       6.1521     -0.00000
     15       6.3684     -0.00000
     16       8.2686     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8618      1.00000
      3      -0.8375      1.00000
      4      -0.0232      1.00000
      5       0.0445      1.00000
      6       0.0633      1.00000
      7       1.0871      1.00000
      8       1.0940      1.00000
      9       1.7911      1.00000
     10       2.6808      1.00209
     11       4.0862     -0.00000
     12       4.1055     -0.00000
     13       5.9750     -0.00000
     14       6.0031     -0.00000
     15       6.0595     -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
  8.066  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
115.787 -61.845  -0.000  -0.082  -0.000   0.000  -0.023   0.000
-61.845  33.034   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.082   0.035  -0.000   1.743  -0.000   0.000  -0.267   0.000
 -0.000   0.000  -0.000  -0.000   2.074   0.000   0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014   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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -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      0.0019: real time      0.0019
    FORHF :  cpu time    422.0602: real time    425.0245
    FORNL :  cpu time      0.5026: real time      0.5076
    FORCOR:  cpu time      1.9725: real time      1.9831
    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
 -----------------------------------------------------------------------------------------------
   0.389E-05 0.200E-05 0.183E+03   0.439E-13 0.277E-13 -.182E+03   -.371E-05 -.978E-06 -.125E+01
   0.560E-06 -.545E-05 0.912E+02   -.212E-14 -.112E-14 -.913E+02   -.174E-05 0.460E-05 0.145E+00
   -.390E-06 -.171E-05 -.648E+00   -.141E-12 -.749E-13 0.637E+00   0.155E-05 0.287E-05 0.107E-01
   0.881E-06 -.943E-05 -.925E+02   0.132E-12 0.743E-13 0.924E+02   -.103E-05 0.107E-04 0.106E+00
   0.103E-04 -.122E-05 -.181E+03   -.431E-13 -.228E-13 0.180E+03   -.107E-04 0.223E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.164E-04 -.165E-04 -.282E-01   -.971E-14 0.313E-14 -.284E-13   -.156E-04 0.194E-04 0.211E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.118740
      0.00000      0.00000      2.33311        -0.000001     -0.000001      0.105380
      1.42873      0.82488      4.65613         0.000001      0.000000      0.000768
      2.85746      1.64976      6.98041         0.000000      0.000001      0.005597
      0.00000      0.00000      9.36474        -0.000000      0.000000      0.006994
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000003     -0.006255


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90214857 eV

  energy  without entropy=      -13.89670842  energy(sigma->0) =      -13.90033519
 
 d Force = 0.6157394E-04[ 0.315E-04, 0.917E-04]  d Energy = 0.6073099E-04 0.843E-06
 d Force = 0.7907824E+00[ 0.790E+00, 0.791E+00]  d Ewald  = 0.7907824E+00-0.162E-07


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


    POTLOK:  cpu time      1.9743: real time      1.9849


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.390E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   5.1405
 eigenvalue spectrum of G is  5.1405


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


    WAVPRE:  cpu time      0.0060: real time      0.0745
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9726: real time      1.9839
    EDDIAG:  cpu time    590.3612: real time    595.1168
    CHARGE:  cpu time      0.2648: real time      0.2666
 writing wavefunctions
     LOOP+:  cpu time   6301.1844: real time   6353.0062


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


    POTLOK:  cpu time      0.7265: real time      0.7319
    SETDIJ:  cpu time      1.2510: real time      1.2561
    TRIAL :  cpu time    585.5308: real time    590.3311
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    587.7872: real time    592.6011

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4478928E-04  (-0.1420952E-03)
 number of electron      15.0000000 magnetization      -0.0000021
 augmentation part       -0.0008997 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.20356067
  -Hartree energ DENC   =      -700.02818191
  -exchange      EXHF   =        33.26362155
  -V(xc)+E(xc)   XCENC  =       -83.54916476
  PAW double counting   =    100960.90500190  -100859.94629319
  entropy T*S    EENTRO =        -0.00541089
  eigenvalues    EBANDS =       -35.32662311
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210119 eV

  energy without entropy =      -13.89669029  energy(sigma->0) =      -13.90029756
  exchange ACFDT corr.  =        -0.00521188  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2517: real time      1.2568
    TRIAL :  cpu time    585.5772: real time    590.3570
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2663: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    587.8248: real time    592.6172

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2706714E-05  (-0.1151426E-03)
 number of electron      15.0000000 magnetization      -0.0000022
 augmentation part       -0.0008997 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.20356067
  -Hartree energ DENC   =      -700.08563031
  -exchange      EXHF   =        33.26360528
  -V(xc)+E(xc)   XCENC  =       -83.54916332
  PAW double counting   =    100962.34713938  -100861.38842800
  entropy T*S    EENTRO =        -0.00541020
  eigenvalues    EBANDS =       -35.26916093
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210390 eV

  energy without entropy =      -13.89669370  energy(sigma->0) =      -13.90030050
  exchange ACFDT corr.  =        -0.00521361  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7246: real time      0.7300
    SETDIJ:  cpu time      1.2508: real time      1.2559
    TRIAL :  cpu time    586.2518: real time    591.0935
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    588.4974: real time    593.3517

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4786442E-04  (-0.7879908E-05)
 number of electron      15.0000000 magnetization      -0.0000022
 augmentation part       -0.0009005 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.20356067
  -Hartree energ DENC   =      -700.07873210
  -exchange      EXHF   =        33.26339275
  -V(xc)+E(xc)   XCENC  =       -83.54922934
  PAW double counting   =    100962.86852666  -100861.90981057
  entropy T*S    EENTRO =        -0.00540444
  eigenvalues    EBANDS =       -35.27583389
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215176 eV

  energy without entropy =      -13.89674732  energy(sigma->0) =      -13.90035028
  exchange ACFDT corr.  =        -0.00521155  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2513: real time      1.2564
    TRIAL :  cpu time    586.9622: real time    591.7807
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    589.2079: real time    594.0391

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5126203E-05  (-0.2372686E-04)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0009015 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.20356067
  -Hartree energ DENC   =      -700.04186525
  -exchange      EXHF   =        33.26320997
  -V(xc)+E(xc)   XCENC  =       -83.54929187
  PAW double counting   =    100963.21686449  -100862.25817631
  entropy T*S    EENTRO =        -0.00539958
  eigenvalues    EBANDS =       -35.31243839
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215689 eV

  energy without entropy =      -13.89675731  energy(sigma->0) =      -13.90035703
  exchange ACFDT corr.  =        -0.00520740  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7253: real time      0.7307
    SETDIJ:  cpu time      1.2524: real time      1.2576
    TRIAL :  cpu time    584.0226: real time    588.8179
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    586.2700: real time    591.0779

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2684843E-05  (-0.1623339E-04)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0009019 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.20356067
  -Hartree energ DENC   =      -700.03215958
  -exchange      EXHF   =        33.26319260
  -V(xc)+E(xc)   XCENC  =       -83.54929907
  PAW double counting   =    100964.18065606  -100863.22197253
  entropy T*S    EENTRO =        -0.00539743
  eigenvalues    EBANDS =       -35.32212240
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215957 eV

  energy without entropy =      -13.89676214  energy(sigma->0) =      -13.90036043
  exchange ACFDT corr.  =        -0.00520333  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2504: real time      1.2555
    TRIAL :  cpu time    583.6339: real time    588.4269
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    585.7296: real time    590.4591
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1171.6091: real time   1181.1441

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7681243E-05  (-0.1267514E-05)
 number of electron      15.0000000 magnetization      -0.0000022
 augmentation part       -0.0009020 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.20356067
  -Hartree energ DENC   =      -700.04707156
  -exchange      EXHF   =        33.26334958
  -V(xc)+E(xc)   XCENC  =       -83.54927067
  PAW double counting   =    100965.69060648  -100864.73193995
  entropy T*S    EENTRO =        -0.00539548
  eigenvalues    EBANDS =       -35.30730870
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216725 eV

  energy without entropy =      -13.89677177  energy(sigma->0) =      -13.90036876
  exchange ACFDT corr.  =        -0.00520185  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0109


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8892       2 -69.7763       3 -69.7815       4 -69.7863       5 -69.9067
 
 
 
 E-fermi :   3.1531     XC(G=0):  -5.1204     alpha+bet : -8.9779

 Fermi energy:         3.1531036373

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8921      1.00000
      2      -9.9902      1.00000
      3      -8.6228      1.00000
      4      -6.7615      1.00000
      5      -4.3352      1.00000
      6      -1.5920      1.00000
      7       1.6178      1.00000
      8       4.6279     -0.00000
      9       5.4122     -0.00000
     10       7.9277     -0.00000
     11       7.9888     -0.00000
     12      11.8917      0.00000
     13      12.1837      0.00000
     14      16.0642      0.00000
     15      16.1220      0.00000
     16      16.2064      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6836      1.00000
      2      -9.7812      1.00000
      3      -8.4127      1.00000
      4      -6.5496      1.00000
      5      -4.1192      1.00000
      6      -1.3818      1.00000
      7       1.8313      1.00000
      8       4.8107     -0.00000
      9       5.5865     -0.00000
     10       8.0956     -0.00000
     11       8.1538     -0.00000
     12      12.0201      0.00000
     13      12.2798      0.00000
     14      13.1199      0.00000
     15      13.8529      0.00000
     16      14.3334      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6836      1.00000
      2      -9.7812      1.00000
      3      -8.4127      1.00000
      4      -6.5496      1.00000
      5      -4.1192      1.00000
      6      -1.3818      1.00000
      7       1.8313      1.00000
      8       4.8107     -0.00000
      9       5.5865     -0.00000
     10       8.0956     -0.00000
     11       8.1538     -0.00000
     12      12.0201      0.00000
     13      12.2798      0.00000
     14      13.1199      0.00000
     15      13.8524      0.00000
     16      14.3979      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6836      1.00000
      2      -9.7812      1.00000
      3      -8.4127      1.00000
      4      -6.5496      1.00000
      5      -4.1192      1.00000
      6      -1.3818      1.00000
      7       1.8313      1.00000
      8       4.8107     -0.00000
      9       5.5865     -0.00000
     10       8.0956     -0.00000
     11       8.1538     -0.00000
     12      12.0201      0.00000
     13      12.2798      0.00000
     14      13.1199      0.00000
     15      13.8524      0.00000
     16      14.3326      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0581      1.00000
      2      -9.1537      1.00000
      3      -7.7820      1.00000
      4      -5.9140      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4578      1.00001
      8       5.3424     -0.00000
      9       6.1044     -0.00000
     10       8.4795     -0.00000
     11       8.6268      0.00000
     12       9.7285      0.00000
     13      10.2718      0.00000
     14      11.3736      0.00000
     15      12.5033      0.00000
     16      12.7708      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0581      1.00000
      2      -9.1537      1.00000
      3      -7.7820      1.00000
      4      -5.9140      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4578      1.00001
      8       5.3424     -0.00000
      9       6.1044     -0.00000
     10       8.4795     -0.00000
     11       8.6268      0.00000
     12       9.7285      0.00000
     13      10.2718      0.00000
     14      11.3736      0.00000
     15      12.5056      0.00000
     16      12.7995      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0581      1.00000
      2      -9.1537      1.00000
      3      -7.7820      1.00000
      4      -5.9140      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4578      1.00001
      8       5.3424     -0.00000
      9       6.1044     -0.00000
     10       8.4795     -0.00000
     11       8.6268      0.00000
     12       9.7285      0.00000
     13      10.2718      0.00000
     14      11.3736      0.00000
     15      12.5066      0.00000
     16      12.8493      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0149      1.00000
      2      -8.1070      1.00000
      3      -6.7298      1.00000
      4      -4.8547      1.00000
      5      -2.4004      1.00000
      6       0.2852      1.00000
      7       3.4155     -0.03433
      8       5.6441     -0.00000
      9       6.5425     -0.00000
     10       6.8646     -0.00000
     11       7.0511     -0.00000
     12       8.0618     -0.00000
     13       9.4030      0.00000
     14       9.5803      0.00000
     15       9.8047      0.00000
     16      11.5896      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0149      1.00000
      2      -8.1070      1.00000
      3      -6.7298      1.00000
      4      -4.8547      1.00000
      5      -2.4004      1.00000
      6       0.2852      1.00000
      7       3.4155     -0.03433
      8       5.6441     -0.00000
      9       6.5425     -0.00000
     10       6.8646     -0.00000
     11       7.0511     -0.00000
     12       8.0618     -0.00000
     13       9.4030      0.00000
     14       9.5803      0.00000
     15       9.8047      0.00000
     16      11.5958      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0149      1.00000
      2      -8.1070      1.00000
      3      -6.7298      1.00000
      4      -4.8547      1.00000
      5      -2.4004      1.00000
      6       0.2852      1.00000
      7       3.4155     -0.03433
      8       5.6441     -0.00000
      9       6.5425     -0.00000
     10       6.8646     -0.00000
     11       7.0511     -0.00000
     12       8.0618     -0.00000
     13       9.4030      0.00000
     14       9.5803      0.00000
     15       9.8047      0.00000
     16      11.6165      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5521      1.00000
      2      -6.6386      1.00000
      3      -5.2544      1.00000
      4      -3.3755      1.00000
      5      -0.9344      1.00000
      6       1.5751      1.00000
      7       2.5465      1.00008
      8       3.5236     -0.01234
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5225     -0.00000
     12       7.6504     -0.00000
     13       8.2133     -0.00000
     14       8.7112      0.00000
     15      10.5161      0.00000
     16      10.8287      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5521      1.00000
      2      -6.6386      1.00000
      3      -5.2544      1.00000
      4      -3.3755      1.00000
      5      -0.9344      1.00000
      6       1.5751      1.00000
      7       2.5465      1.00008
      8       3.5236     -0.01234
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5225     -0.00000
     12       7.6504     -0.00000
     13       8.2133     -0.00000
     14       8.7112      0.00000
     15      10.5162      0.00000
     16      10.8280      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5521      1.00000
      2      -6.6386      1.00000
      3      -5.2544      1.00000
      4      -3.3755      1.00000
      5      -0.9344      1.00000
      6       1.5751      1.00000
      7       2.5465      1.00008
      8       3.5236     -0.01234
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5225     -0.00000
     12       7.6504     -0.00000
     13       8.2133     -0.00000
     14       8.7112      0.00000
     15      10.5160      0.00000
     16      10.8278      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7460      1.00000
      3      -3.3609      1.00000
      4      -1.5224      1.00000
      5      -0.6684      1.00000
      6       0.1160      1.00000
      7       1.1136      1.00000
      8       2.0148      1.00000
      9       3.6471     -0.00131
     10       3.7423     -0.00012
     11       5.9336     -0.00000
     12       6.7077     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7531      0.00000
     16      10.5914      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7460      1.00000
      3      -3.3609      1.00000
      4      -1.5224      1.00000
      5      -0.6684      1.00000
      6       0.1160      1.00000
      7       1.1136      1.00000
      8       2.0148      1.00000
      9       3.6471     -0.00131
     10       3.7423     -0.00012
     11       5.9336     -0.00000
     12       6.7077     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7531      0.00000
     16      10.4045      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7460      1.00000
      3      -3.3609      1.00000
      4      -1.5224      1.00000
      5      -0.6684      1.00000
      6       0.1160      1.00000
      7       1.1136      1.00000
      8       2.0148      1.00000
      9       3.6471     -0.00131
     10       3.7423     -0.00012
     11       5.9336     -0.00000
     12       6.7077     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4392      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3454      1.00000
      3      -2.4495      1.00000
      4      -2.4355      1.00000
      5      -1.2979      1.00000
      6      -0.9044      1.00000
      7       0.6385      1.00000
      8       1.3808      1.00000
      9       3.3858     -0.03489
     10       3.5248     -0.01212
     11       5.6744     -0.00000
     12       6.0162     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2338      0.00000
     16      10.5373      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3454      1.00000
      3      -2.4495      1.00000
      4      -2.4355      1.00000
      5      -1.2979      1.00000
      6      -0.9044      1.00000
      7       0.6385      1.00000
      8       1.3808      1.00000
      9       3.3858     -0.03489
     10       3.5248     -0.01212
     11       5.6744     -0.00000
     12       6.0162     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2349      0.00000
     16      10.5451      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3454      1.00000
      3      -2.4495      1.00000
      4      -2.4355      1.00000
      5      -1.2979      1.00000
      6      -0.9044      1.00000
      7       0.6385      1.00000
      8       1.3808      1.00000
      9       3.3858     -0.03489
     10       3.5248     -0.01212
     11       5.6744     -0.00000
     12       6.0162     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2333      0.00000
     16      10.5369      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2666      1.00000
      2      -9.3629      1.00000
      3      -7.9923      1.00000
      4      -6.1259      1.00000
      5      -3.6877      1.00000
      6      -0.9621      1.00000
      7       2.2518      1.00000
      8       5.1697     -0.00000
      9       5.9332     -0.00000
     10       8.4203     -0.00000
     11       8.4621     -0.00000
     12      11.4275      0.00000
     13      11.4434      0.00000
     14      11.8853      0.00000
     15      12.0137      0.00000
     16      12.6576      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2666      1.00000
      2      -9.3629      1.00000
      3      -7.9923      1.00000
      4      -6.1259      1.00000
      5      -3.6877      1.00000
      6      -0.9621      1.00000
      7       2.2518      1.00000
      8       5.1697     -0.00000
      9       5.9332     -0.00000
     10       8.4203     -0.00000
     11       8.4621     -0.00000
     12      11.4274      0.00000
     13      11.4442      0.00000
     14      11.8859      0.00000
     15      12.0134      0.00000
     16      12.6535      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2666      1.00000
      2      -9.3629      1.00000
      3      -7.9923      1.00000
      4      -6.1259      1.00000
      5      -3.6877      1.00000
      6      -0.9621      1.00000
      7       2.2518      1.00000
      8       5.1697     -0.00000
      9       5.9332     -0.00000
     10       8.4203     -0.00000
     11       8.4621     -0.00000
     12      11.4275      0.00000
     13      11.4430      0.00000
     14      11.8860      0.00000
     15      12.0152      0.00000
     16      12.6569      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1805      0.00000
     16      10.7180      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7176      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7177      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7176      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7181      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7175      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8973      0.00000
     15       9.5970      0.00000
     16      10.1579      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8972      0.00000
     15       9.5970      0.00000
     16      10.0537      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8978      0.00000
     15       9.6003      0.00000
     16      10.2540      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8989      0.00000
     15       9.5973      0.00000
     16      10.2469      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8972      0.00000
     15       9.5963      0.00000
     16      10.0799      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8987      0.00000
     15       9.8342      0.00000
     16      10.1786      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3288      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99866
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6511      0.00000
     15       9.1011      0.00000
     16       9.1248      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3288      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99867
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6510      0.00000
     15       9.1011      0.00000
     16       9.1246      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3288      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99866
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1011      0.00000
     16       9.1237      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3288      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99866
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6510      0.00000
     15       9.1011      0.00000
     16       9.1243      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3288      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99866
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6511      0.00000
     15       9.1011      0.00000
     16       9.1251      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3288      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99867
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6510      0.00000
     15       9.1014      0.00000
     16       9.1237      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6994      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0426      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.7096      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8382      0.00000
     16       9.7125      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6960      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6953      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0426      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8375      0.00000
     16       9.7172      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4784      1.00000
      3      -6.0979      1.00000
      4      -4.2195      1.00000
      5      -1.7626      1.00000
      6       0.8996      1.00000
      7       3.9558     -0.00000
      8       6.0172     -0.00000
      9       6.4936     -0.00000
     10       7.2270     -0.00000
     11       7.3175     -0.00000
     12       7.4861     -0.00000
     13       7.6015     -0.00000
     14       8.3736     -0.00000
     15       8.7398      0.00000
     16      10.0543      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4784      1.00000
      3      -6.0979      1.00000
      4      -4.2195      1.00000
      5      -1.7626      1.00000
      6       0.8996      1.00000
      7       3.9558     -0.00000
      8       6.0172     -0.00000
      9       6.4936     -0.00000
     10       7.2270     -0.00000
     11       7.3175     -0.00000
     12       7.4861     -0.00000
     13       7.6015     -0.00000
     14       8.3736     -0.00000
     15       8.7397      0.00000
     16      10.0617      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4784      1.00000
      3      -6.0979      1.00000
      4      -4.2195      1.00000
      5      -1.7626      1.00000
      6       0.8996      1.00000
      7       3.9558     -0.00000
      8       6.0172     -0.00000
      9       6.4936     -0.00000
     10       7.2270     -0.00000
     11       7.3175     -0.00000
     12       7.4861     -0.00000
     13       7.6015     -0.00000
     14       8.3736     -0.00000
     15       8.7397      0.00000
     16      10.0542      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4139     -0.00000
     16       8.7571      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57048
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4139     -0.00000
     16       8.7578      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4140     -0.00000
     16       8.7573      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4141     -0.00000
     16       8.7572      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4138     -0.00000
     16       8.7580      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57048
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4138     -0.00000
     16       8.7570      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8441      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0518      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8469      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0518      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8451      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8686      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0518      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8777      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0518      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8794      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7194      1.00000
      3      -1.8239      1.00000
      4      -1.8154      1.00000
      5      -0.6837      1.00000
      6      -0.2913      1.00000
      7       1.2389      1.00000
      8       1.9726      1.00000
      9       3.7741     -0.00005
     10       3.9019     -0.00000
     11       4.7182     -0.00000
     12       5.7536     -0.00000
     13       6.3930     -0.00000
     14       6.7523     -0.00000
     15       7.1229     -0.00000
     16       8.7379      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7194      1.00000
      3      -1.8239      1.00000
      4      -1.8154      1.00000
      5      -0.6837      1.00000
      6      -0.2913      1.00000
      7       1.2389      1.00000
      8       1.9726      1.00000
      9       3.7741     -0.00005
     10       3.9019     -0.00000
     11       4.7182     -0.00000
     12       5.7536     -0.00000
     13       6.3930     -0.00000
     14       6.7523     -0.00000
     15       7.1229     -0.00000
     16       8.7124      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7194      1.00000
      3      -1.8239      1.00000
      4      -1.8154      1.00000
      5      -0.6837      1.00000
      6      -0.2913      1.00000
      7       1.2389      1.00000
      8       1.9726      1.00000
      9       3.7741     -0.00005
     10       3.9019     -0.00000
     11       4.7182     -0.00000
     12       5.7536     -0.00000
     13       6.3930     -0.00000
     14       6.7523     -0.00000
     15       7.1229     -0.00000
     16       8.7094      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3278      1.00000
      3      -2.9406      1.00000
      4      -1.0863      1.00000
      5       1.1503      1.00000
      6       2.0988      1.00000
      7       2.2622      1.00000
      8       2.9848      0.99904
      9       3.4392     -0.03043
     10       4.2253     -0.00000
     11       4.4850     -0.00000
     12       4.8517     -0.00000
     13       6.2093     -0.00000
     14       6.8502     -0.00000
     15       7.2511     -0.00000
     16       8.6869      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3278      1.00000
      3      -2.9406      1.00000
      4      -1.0863      1.00000
      5       1.1503      1.00000
      6       2.0988      1.00000
      7       2.2622      1.00000
      8       2.9848      0.99904
      9       3.4392     -0.03043
     10       4.2253     -0.00000
     11       4.4850     -0.00000
     12       4.8517     -0.00000
     13       6.2093     -0.00000
     14       6.8502     -0.00000
     15       7.2511     -0.00000
     16       8.6953      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3278      1.00000
      3      -2.9406      1.00000
      4      -1.0863      1.00000
      5       1.1503      1.00000
      6       2.0988      1.00000
      7       2.2622      1.00000
      8       2.9848      0.99904
      9       3.4392     -0.03043
     10       4.2253     -0.00000
     11       4.4850     -0.00000
     12       4.8518     -0.00000
     13       6.2093     -0.00000
     14       6.8502     -0.00000
     15       7.2511     -0.00000
     16       8.6985      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38763
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2265     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38765
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2576     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38762
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2344     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38763
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2365     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38763
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2329     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38764
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.4113     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8785      1.00000
      2      -0.8610      1.00000
      3      -0.8363      1.00000
      4      -0.0231      1.00000
      5       0.0453      1.00000
      6       0.0631      1.00000
      7       1.0879      1.00000
      8       1.0930      1.00000
      9       1.7908      1.00000
     10       2.6802      1.00210
     11       4.0830     -0.00000
     12       4.1071     -0.00000
     13       5.9726     -0.00000
     14       6.0030     -0.00000
     15       6.0581     -0.00000
     16       8.0136     -0.00000
 Fermi energy:         3.1531036373

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8921      1.00000
      2      -9.9902      1.00000
      3      -8.6228      1.00000
      4      -6.7615      1.00000
      5      -4.3352      1.00000
      6      -1.5920      1.00000
      7       1.6178      1.00000
      8       4.6279     -0.00000
      9       5.4122     -0.00000
     10       7.9277     -0.00000
     11       7.9888     -0.00000
     12      11.8917      0.00000
     13      12.1837      0.00000
     14      16.0640      0.00000
     15      16.1831      0.00000
     16      16.3399      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6836      1.00000
      2      -9.7812      1.00000
      3      -8.4127      1.00000
      4      -6.5496      1.00000
      5      -4.1192      1.00000
      6      -1.3818      1.00000
      7       1.8313      1.00000
      8       4.8107     -0.00000
      9       5.5865     -0.00000
     10       8.0956     -0.00000
     11       8.1538     -0.00000
     12      12.0201      0.00000
     13      12.2798      0.00000
     14      13.1199      0.00000
     15      13.8524      0.00000
     16      14.3250      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6836      1.00000
      2      -9.7812      1.00000
      3      -8.4127      1.00000
      4      -6.5496      1.00000
      5      -4.1192      1.00000
      6      -1.3818      1.00000
      7       1.8313      1.00000
      8       4.8107     -0.00000
      9       5.5865     -0.00000
     10       8.0956     -0.00000
     11       8.1538     -0.00000
     12      12.0201      0.00000
     13      12.2798      0.00000
     14      13.1199      0.00000
     15      13.8524      0.00000
     16      14.3236      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6836      1.00000
      2      -9.7812      1.00000
      3      -8.4127      1.00000
      4      -6.5496      1.00000
      5      -4.1192      1.00000
      6      -1.3818      1.00000
      7       1.8313      1.00000
      8       4.8107     -0.00000
      9       5.5865     -0.00000
     10       8.0956     -0.00000
     11       8.1538     -0.00000
     12      12.0201      0.00000
     13      12.2798      0.00000
     14      13.1199      0.00000
     15      13.8528      0.00000
     16      14.3297      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0581      1.00000
      2      -9.1537      1.00000
      3      -7.7820      1.00000
      4      -5.9140      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4578      1.00001
      8       5.3424     -0.00000
      9       6.1044     -0.00000
     10       8.4795     -0.00000
     11       8.6268      0.00000
     12       9.7285      0.00000
     13      10.2718      0.00000
     14      11.3736      0.00000
     15      12.5099      0.00000
     16      12.8470      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0581      1.00000
      2      -9.1537      1.00000
      3      -7.7820      1.00000
      4      -5.9140      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4578      1.00001
      8       5.3424     -0.00000
      9       6.1044     -0.00000
     10       8.4795     -0.00000
     11       8.6268      0.00000
     12       9.7285      0.00000
     13      10.2718      0.00000
     14      11.3736      0.00000
     15      12.5036      0.00000
     16      12.7697      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0581      1.00000
      2      -9.1537      1.00000
      3      -7.7820      1.00000
      4      -5.9140      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4578      1.00001
      8       5.3424     -0.00000
      9       6.1044     -0.00000
     10       8.4795     -0.00000
     11       8.6268      0.00000
     12       9.7285      0.00000
     13      10.2718      0.00000
     14      11.3736      0.00000
     15      12.5064      0.00000
     16      12.8142      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0149      1.00000
      2      -8.1070      1.00000
      3      -6.7298      1.00000
      4      -4.8547      1.00000
      5      -2.4004      1.00000
      6       0.2852      1.00000
      7       3.4155     -0.03433
      8       5.6441     -0.00000
      9       6.5425     -0.00000
     10       6.8646     -0.00000
     11       7.0511     -0.00000
     12       8.0618     -0.00000
     13       9.4030      0.00000
     14       9.5803      0.00000
     15       9.8047      0.00000
     16      11.5915      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0149      1.00000
      2      -8.1070      1.00000
      3      -6.7298      1.00000
      4      -4.8547      1.00000
      5      -2.4004      1.00000
      6       0.2852      1.00000
      7       3.4155     -0.03433
      8       5.6441     -0.00000
      9       6.5425     -0.00000
     10       6.8646     -0.00000
     11       7.0511     -0.00000
     12       8.0618     -0.00000
     13       9.4030      0.00000
     14       9.5803      0.00000
     15       9.8047      0.00000
     16      11.6117      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0149      1.00000
      2      -8.1070      1.00000
      3      -6.7298      1.00000
      4      -4.8547      1.00000
      5      -2.4004      1.00000
      6       0.2852      1.00000
      7       3.4155     -0.03433
      8       5.6441     -0.00000
      9       6.5425     -0.00000
     10       6.8646     -0.00000
     11       7.0511     -0.00000
     12       8.0618     -0.00000
     13       9.4030      0.00000
     14       9.5803      0.00000
     15       9.8047      0.00000
     16      11.5984      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5521      1.00000
      2      -6.6386      1.00000
      3      -5.2544      1.00000
      4      -3.3755      1.00000
      5      -0.9344      1.00000
      6       1.5751      1.00000
      7       2.5465      1.00008
      8       3.5236     -0.01234
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5225     -0.00000
     12       7.6504     -0.00000
     13       8.2133     -0.00000
     14       8.7112      0.00000
     15      10.5154      0.00000
     16      10.8284      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5521      1.00000
      2      -6.6386      1.00000
      3      -5.2544      1.00000
      4      -3.3755      1.00000
      5      -0.9344      1.00000
      6       1.5751      1.00000
      7       2.5465      1.00008
      8       3.5236     -0.01234
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5225     -0.00000
     12       7.6504     -0.00000
     13       8.2133     -0.00000
     14       8.7112      0.00000
     15      10.5173      0.00000
     16      10.8310      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5521      1.00000
      2      -6.6386      1.00000
      3      -5.2544      1.00000
      4      -3.3755      1.00000
      5      -0.9344      1.00000
      6       1.5751      1.00000
      7       2.5465      1.00008
      8       3.5236     -0.01234
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5225     -0.00000
     12       7.6504     -0.00000
     13       8.2133     -0.00000
     14       8.7112      0.00000
     15      10.5170      0.00000
     16      10.8316      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7460      1.00000
      3      -3.3609      1.00000
      4      -1.5224      1.00000
      5      -0.6684      1.00000
      6       0.1160      1.00000
      7       1.1136      1.00000
      8       2.0148      1.00000
      9       3.6471     -0.00131
     10       3.7423     -0.00012
     11       5.9336     -0.00000
     12       6.7077     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4502      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7460      1.00000
      3      -3.3609      1.00000
      4      -1.5224      1.00000
      5      -0.6684      1.00000
      6       0.1160      1.00000
      7       1.1136      1.00000
      8       2.0148      1.00000
      9       3.6471     -0.00131
     10       3.7423     -0.00012
     11       5.9336     -0.00000
     12       6.7077     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4897      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7460      1.00000
      3      -3.3609      1.00000
      4      -1.5224      1.00000
      5      -0.6684      1.00000
      6       0.1160      1.00000
      7       1.1136      1.00000
      8       2.0148      1.00000
      9       3.6471     -0.00131
     10       3.7423     -0.00012
     11       5.9336     -0.00000
     12       6.7077     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7531      0.00000
     16      10.4940      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3454      1.00000
      3      -2.4495      1.00000
      4      -2.4355      1.00000
      5      -1.2979      1.00000
      6      -0.9044      1.00000
      7       0.6385      1.00000
      8       1.3808      1.00000
      9       3.3858     -0.03489
     10       3.5248     -0.01212
     11       5.6744     -0.00000
     12       6.0162     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2625      0.00000
     16      10.5925      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3454      1.00000
      3      -2.4495      1.00000
      4      -2.4355      1.00000
      5      -1.2979      1.00000
      6      -0.9044      1.00000
      7       0.6385      1.00000
      8       1.3808      1.00000
      9       3.3858     -0.03489
     10       3.5248     -0.01212
     11       5.6744     -0.00000
     12       6.0162     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2335      0.00000
     16      10.5391      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3673      1.00000
      2      -3.3454      1.00000
      3      -2.4495      1.00000
      4      -2.4355      1.00000
      5      -1.2979      1.00000
      6      -0.9044      1.00000
      7       0.6385      1.00000
      8       1.3808      1.00000
      9       3.3858     -0.03489
     10       3.5248     -0.01212
     11       5.6744     -0.00000
     12       6.0162     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2493      0.00000
     16      10.5379      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2666      1.00000
      2      -9.3629      1.00000
      3      -7.9923      1.00000
      4      -6.1259      1.00000
      5      -3.6877      1.00000
      6      -0.9621      1.00000
      7       2.2518      1.00000
      8       5.1697     -0.00000
      9       5.9332     -0.00000
     10       8.4203     -0.00000
     11       8.4621     -0.00000
     12      11.4274      0.00000
     13      11.4430      0.00000
     14      11.8855      0.00000
     15      12.0145      0.00000
     16      12.6500      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2666      1.00000
      2      -9.3629      1.00000
      3      -7.9923      1.00000
      4      -6.1259      1.00000
      5      -3.6877      1.00000
      6      -0.9621      1.00000
      7       2.2518      1.00000
      8       5.1697     -0.00000
      9       5.9332     -0.00000
     10       8.4203     -0.00000
     11       8.4621     -0.00000
     12      11.4274      0.00000
     13      11.4430      0.00000
     14      11.8861      0.00000
     15      12.0151      0.00000
     16      12.6377      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2666      1.00000
      2      -9.3629      1.00000
      3      -7.9923      1.00000
      4      -6.1259      1.00000
      5      -3.6877      1.00000
      6      -0.9621      1.00000
      7       2.2518      1.00000
      8       5.1697     -0.00000
      9       5.9332     -0.00000
     10       8.4203     -0.00000
     11       8.4621     -0.00000
     12      11.4274      0.00000
     13      11.4431      0.00000
     14      11.8851      0.00000
     15      12.0252      0.00000
     16      12.7101      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7175      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1805      0.00000
     16      10.7179      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1805      0.00000
     16      10.7175      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7175      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7175      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.5259      1.00000
      3      -7.1509      1.00000
      4      -5.2783      1.00000
      5      -2.8279      1.00000
      6      -0.1268      1.00000
      7       3.0575      0.85552
      8       5.8215     -0.00000
      9       6.6017     -0.00000
     10       7.8582     -0.00000
     11       8.5852     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8323      0.00000
     15      10.1804      0.00000
     16      10.7175      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8972      0.00000
     15       9.5959      0.00000
     16      10.0574      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8977      0.00000
     15       9.5968      0.00000
     16      10.1475      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8973      0.00000
     15       9.5959      0.00000
     16      10.1107      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8974      0.00000
     15       9.5962      0.00000
     16      10.1097      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8973      0.00000
     15       9.5993      0.00000
     16      10.2725      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2685      1.00000
      3      -5.8871      1.00000
      4      -4.0082      1.00000
      5      -1.5530      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6804     -0.00000
      9       5.4027     -0.00000
     10       6.5067     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1791     -0.00000
     14       8.8971      0.00000
     15       9.5959      0.00000
     16      10.1400      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3289      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99867
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6510      0.00000
     15       9.1015      0.00000
     16       9.1245      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3289      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99866
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6510      0.00000
     15       9.1011      0.00000
     16       9.1247      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3289      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99867
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1013      0.00000
     16       9.1237      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3289      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99867
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1012      0.00000
     16       9.1240      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3289      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99867
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1011      0.00000
     16       9.1237      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5053      1.00000
      2      -5.5879      1.00000
      3      -4.2009      1.00000
      4      -2.3289      1.00000
      5       0.0163      1.00000
      6       0.9998      1.00000
      7       1.9760      1.00000
      8       2.9853      0.99866
      9       3.5201     -0.01300
     10       5.1936     -0.00000
     11       5.9030     -0.00000
     12       7.3264     -0.00000
     13       7.9795     -0.00000
     14       8.6510      0.00000
     15       9.1011      0.00000
     16       9.1241      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8376      0.00000
     16       9.6955      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6992      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6997      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6960      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.6953      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4861      1.00000
      3      -2.1176      1.00000
      4      -1.8947      1.00000
      5      -1.0427      1.00000
      6      -0.3616      1.00000
      7       0.6406      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00149
     10       4.7330     -0.00000
     11       4.9049     -0.00000
     12       7.0253     -0.00000
     13       7.4884     -0.00000
     14       8.0154     -0.00000
     15       8.8374      0.00000
     16       9.7086      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4784      1.00000
      3      -6.0979      1.00000
      4      -4.2195      1.00000
      5      -1.7626      1.00000
      6       0.8996      1.00000
      7       3.9558     -0.00000
      8       6.0172     -0.00000
      9       6.4936     -0.00000
     10       7.2270     -0.00000
     11       7.3175     -0.00000
     12       7.4861     -0.00000
     13       7.6015     -0.00000
     14       8.3736     -0.00000
     15       8.7397      0.00000
     16      10.0578      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4784      1.00000
      3      -6.0979      1.00000
      4      -4.2195      1.00000
      5      -1.7626      1.00000
      6       0.8996      1.00000
      7       3.9558     -0.00000
      8       6.0172     -0.00000
      9       6.4936     -0.00000
     10       7.2270     -0.00000
     11       7.3175     -0.00000
     12       7.4861     -0.00000
     13       7.6015     -0.00000
     14       8.3736     -0.00000
     15       8.7397      0.00000
     16      10.0511      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4784      1.00000
      3      -6.0979      1.00000
      4      -4.2195      1.00000
      5      -1.7626      1.00000
      6       0.8996      1.00000
      7       3.9558     -0.00000
      8       6.0172     -0.00000
      9       6.4936     -0.00000
     10       7.2270     -0.00000
     11       7.3175     -0.00000
     12       7.4861     -0.00000
     13       7.6015     -0.00000
     14       8.3736     -0.00000
     15       8.7397      0.00000
     16      10.0611      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4139     -0.00000
     16       8.7570      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4140     -0.00000
     16       8.7573      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4138     -0.00000
     16       8.7576      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4138     -0.00000
     16       8.7574      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4140     -0.00000
     16       8.7570      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9249      1.00000
      2      -6.0091      1.00000
      3      -4.6225      1.00000
      4      -2.7437      1.00000
      5      -0.3142      1.00000
      6       2.1601      1.00000
      7       3.1353      0.57049
      8       4.0984     -0.00000
      9       5.0876     -0.00000
     10       5.3545     -0.00000
     11       5.9051     -0.00000
     12       6.4791     -0.00000
     13       7.0121     -0.00000
     14       7.7597     -0.00000
     15       8.4138     -0.00000
     16       8.7579      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8478      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8319      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8471      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8526      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8599      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.1170      1.00000
      3      -2.7326      1.00000
      4      -0.9045      1.00000
      5      -0.0519      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5865      1.00023
      9       4.0698     -0.00000
     10       4.2684     -0.00000
     11       4.8675     -0.00000
     12       5.7265     -0.00000
     13       6.6239     -0.00000
     14       7.3951     -0.00000
     15       7.5226     -0.00000
     16       8.8733      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7194      1.00000
      3      -1.8239      1.00000
      4      -1.8154      1.00000
      5      -0.6837      1.00000
      6      -0.2913      1.00000
      7       1.2389      1.00000
      8       1.9726      1.00000
      9       3.7741     -0.00005
     10       3.9019     -0.00000
     11       4.7182     -0.00000
     12       5.7536     -0.00000
     13       6.3930     -0.00000
     14       6.7523     -0.00000
     15       7.1229     -0.00000
     16       8.6801      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7194      1.00000
      3      -1.8239      1.00000
      4      -1.8154      1.00000
      5      -0.6837      1.00000
      6      -0.2913      1.00000
      7       1.2389      1.00000
      8       1.9726      1.00000
      9       3.7741     -0.00005
     10       3.9019     -0.00000
     11       4.7182     -0.00000
     12       5.7536     -0.00000
     13       6.3930     -0.00000
     14       6.7523     -0.00000
     15       7.1229     -0.00000
     16       8.6771      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7194      1.00000
      3      -1.8239      1.00000
      4      -1.8154      1.00000
      5      -0.6837      1.00000
      6      -0.2913      1.00000
      7       1.2389      1.00000
      8       1.9726      1.00000
      9       3.7741     -0.00005
     10       3.9019     -0.00000
     11       4.7182     -0.00000
     12       5.7536     -0.00000
     13       6.3930     -0.00000
     14       6.7523     -0.00000
     15       7.1229     -0.00000
     16       8.6954      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3278      1.00000
      3      -2.9406      1.00000
      4      -1.0863      1.00000
      5       1.1503      1.00000
      6       2.0988      1.00000
      7       2.2622      1.00000
      8       2.9848      0.99904
      9       3.4392     -0.03043
     10       4.2253     -0.00000
     11       4.4850     -0.00000
     12       4.8517     -0.00000
     13       6.2093     -0.00000
     14       6.8502     -0.00000
     15       7.2511     -0.00000
     16       8.6906      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3278      1.00000
      3      -2.9406      1.00000
      4      -1.0863      1.00000
      5       1.1503      1.00000
      6       2.0988      1.00000
      7       2.2622      1.00000
      8       2.9848      0.99904
      9       3.4392     -0.03043
     10       4.2253     -0.00000
     11       4.4850     -0.00000
     12       4.8517     -0.00000
     13       6.2093     -0.00000
     14       6.8502     -0.00000
     15       7.2511     -0.00000
     16       8.6873      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.3278      1.00000
      3      -2.9406      1.00000
      4      -1.0863      1.00000
      5       1.1503      1.00000
      6       2.0988      1.00000
      7       2.2622      1.00000
      8       2.9848      0.99904
      9       3.4392     -0.03043
     10       4.2253     -0.00000
     11       4.4850     -0.00000
     12       4.8517     -0.00000
     13       6.2093     -0.00000
     14       6.8502     -0.00000
     15       7.2511     -0.00000
     16       8.6897      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38765
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2324     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38764
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2463     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38766
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2415     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38766
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2701     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38765
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2393     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2336      1.00000
      3      -0.8803      1.00000
      4      -0.6493      1.00000
      5       0.1807      1.00000
      6       0.8194      1.00000
      7       1.7551      1.00000
      8       1.8297      1.00000
      9       2.5532      1.00010
     10       3.1794      0.38764
     11       4.1322     -0.00000
     12       4.6570     -0.00000
     13       6.0476     -0.00000
     14       6.1513     -0.00000
     15       6.3672     -0.00000
     16       8.2639     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8785      1.00000
      2      -0.8610      1.00000
      3      -0.8363      1.00000
      4      -0.0231      1.00000
      5       0.0453      1.00000
      6       0.0631      1.00000
      7       1.0879      1.00000
      8       1.0930      1.00000
      9       1.7908      1.00000
     10       2.6802      1.00210
     11       4.0830     -0.00000
     12       4.1071     -0.00000
     13       5.9726     -0.00000
     14       6.0030     -0.00000
     15       6.0581     -0.00000
     16       8.0155     -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   1.881  -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  23.497  -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   1.881  -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
115.780 -61.841  -0.000  -0.082  -0.000   0.000  -0.023   0.000
-61.841  33.032   0.000   0.034   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.082   0.034  -0.000   1.744   0.000   0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014   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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -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    421.3466: real time    424.2924
    FORNL :  cpu time      0.5005: real time      0.5057
    FORCOR:  cpu time      1.9735: real time      1.9842
    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
 -----------------------------------------------------------------------------------------------
   0.149E-05 -.225E-05 0.183E+03   0.436E-13 0.277E-13 -.182E+03   -.947E-06 0.319E-05 -.125E+01
   -.955E-06 -.427E-05 0.912E+02   0.101E-14 0.709E-15 -.913E+02   -.449E-06 0.390E-05 0.142E+00
   0.252E-05 -.574E-05 -.675E+00   -.144E-12 -.811E-13 0.668E+00   -.173E-05 0.736E-05 0.180E-01
   -.145E-05 -.675E-05 -.925E+02   0.131E-12 0.812E-13 0.924E+02   0.162E-05 0.835E-05 0.106E+00
   0.457E-05 -.231E-05 -.181E+03   -.419E-13 -.253E-13 0.180E+03   -.453E-05 0.364E-05 0.999E+00
 -----------------------------------------------------------------------------------------------
   0.577E-05 -.230E-04 -.292E-02   -.971E-14 0.313E-14 -.284E-13   -.604E-05 0.264E-04 0.129E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.123461
      0.00000      0.00000      2.33311        -0.000001     -0.000001      0.107670
      1.42873      0.82488      4.65592        -0.000000      0.000000      0.008771
      2.85746      1.64976      6.98094         0.000001      0.000001      0.005911
      0.00000      0.00000      9.36618         0.000000      0.000000      0.001108
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000004      0.010368


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90216725 eV

  energy  without entropy=      -13.89677177  energy(sigma->0) =      -13.90036876
 
 d Force = 0.7927691E-05[ 0.292E-05, 0.129E-04]  d Energy = 0.1867804E-04-0.108E-04
 d Force = 0.3092872E+00[ 0.309E+00, 0.309E+00]  d Ewald  = 0.3092872E+00-0.507E-09


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


    POTLOK:  cpu time      1.9727: real time      1.9833


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.546E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.1004
 eigenvalue spectrum of G is  2.1004


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


    WAVPRE:  cpu time      1.2205: real time      1.2736
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9734: real time      1.9847
    EDDIAG:  cpu time    590.4170: real time    595.1651
    CHARGE:  cpu time      0.2644: real time      0.2663
 writing wavefunctions
     LOOP+:  cpu time   5131.8834: real time   5173.9814


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


    POTLOK:  cpu time      0.7234: real time      0.7283
    SETDIJ:  cpu time      1.2511: real time      1.2567
    TRIAL :  cpu time    586.0733: real time    590.9098
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    588.3272: real time    593.1773

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5140733E-03  (-0.2224827E-02)
 number of electron      15.0000000 magnetization      -0.0000017
 augmentation part       -0.0008978 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.05956349
  -exchange      EXHF   =        33.26357216
  -V(xc)+E(xc)   XCENC  =       -83.54917989
  PAW double counting   =    100968.78484945  -100867.82621081
  entropy T*S    EENTRO =        -0.00538133
  eigenvalues    EBANDS =       -35.43080832
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90164550 eV

  energy without entropy =      -13.89626417  energy(sigma->0) =      -13.89985172
  exchange ACFDT corr.  =        -0.00518390  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7257: real time      0.7316
    SETDIJ:  cpu time      1.2510: real time      1.2562
    TRIAL :  cpu time    586.5709: real time    591.4194
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    588.8175: real time    593.6791

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2060794E-03  (-0.1791578E-02)
 number of electron      15.0000000 magnetization      -0.0000015
 augmentation part       -0.0008974 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.18441734
  -exchange      EXHF   =        33.26396324
  -V(xc)+E(xc)   XCENC  =       -83.54903192
  PAW double counting   =    100970.29700175  -100869.33839328
  entropy T*S    EENTRO =        -0.00538530
  eigenvalues    EBANDS =       -35.30624233
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90143942 eV

  energy without entropy =      -13.89605412  energy(sigma->0) =      -13.89964432
  exchange ACFDT corr.  =        -0.00519531  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7248: real time      0.7306
    SETDIJ:  cpu time      1.2508: real time      1.2560
    TRIAL :  cpu time    584.4411: real time    589.2502
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2658: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    586.6873: real time    591.5094

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6751517E-03  ( 0.2859705E-04)
 number of electron      15.0000000 magnetization      -0.0000014
 augmentation part       -0.0008964 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.26200592
  -exchange      EXHF   =        33.26435378
  -V(xc)+E(xc)   XCENC  =       -83.54889289
  PAW double counting   =    100973.37866985  -100872.42005814
  entropy T*S    EENTRO =        -0.00537983
  eigenvalues    EBANDS =       -35.22985773
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90211457 eV

  energy without entropy =      -13.89673474  energy(sigma->0) =      -13.90032129
  exchange ACFDT corr.  =        -0.00519743  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7292
    SETDIJ:  cpu time      1.2506: real time      1.2562
    TRIAL :  cpu time    582.1017: real time    586.9042
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    584.3460: real time    589.1615

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4105081E-04  (-0.3670906E-03)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0008950 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.20394419
  -exchange      EXHF   =        33.26428432
  -V(xc)+E(xc)   XCENC  =       -83.54891933
  PAW double counting   =    100974.11980994  -100873.16119012
  entropy T*S    EENTRO =        -0.00537759
  eigenvalues    EBANDS =       -35.28779611
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207352 eV

  energy without entropy =      -13.89669593  energy(sigma->0) =      -13.90028099
  exchange ACFDT corr.  =        -0.00519505  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7299
    SETDIJ:  cpu time      1.2497: real time      1.2548
    TRIAL :  cpu time    582.2628: real time    587.0617
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    584.5068: real time    589.3185

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7115406E-05  (-0.2292137E-03)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008942 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.15158966
  -exchange      EXHF   =        33.26414199
  -V(xc)+E(xc)   XCENC  =       -83.54896788
  PAW double counting   =    100974.34266449  -100873.38405656
  entropy T*S    EENTRO =        -0.00538014
  eigenvalues    EBANDS =       -35.33994299
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90206640 eV

  energy without entropy =      -13.89668626  energy(sigma->0) =      -13.90027302
  exchange ACFDT corr.  =        -0.00519413  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2514: real time      1.2565
    TRIAL :  cpu time    584.3448: real time    589.1522
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2654: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    586.5911: real time    591.4113

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9478514E-04  ( 0.6895663E-05)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008933 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.18359200
  -exchange      EXHF   =        33.26422918
  -V(xc)+E(xc)   XCENC  =       -83.54893631
  PAW double counting   =    100976.04053517  -100875.08190285
  entropy T*S    EENTRO =        -0.00538272
  eigenvalues    EBANDS =       -35.30817601
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216119 eV

  energy without entropy =      -13.89677847  energy(sigma->0) =      -13.90036695
  exchange ACFDT corr.  =        -0.00519543  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7299
    SETDIJ:  cpu time      1.2517: real time      1.2568
    TRIAL :  cpu time    584.1345: real time    588.9407
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    586.3804: real time    591.1991

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1227052E-04  (-0.5893476E-04)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008925 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.20919332
  -exchange      EXHF   =        33.26427190
  -V(xc)+E(xc)   XCENC  =       -83.54891937
  PAW double counting   =    100977.34833645  -100876.38969604
  entropy T*S    EENTRO =        -0.00538240
  eigenvalues    EBANDS =       -35.28262761
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214892 eV

  energy without entropy =      -13.89676652  energy(sigma->0) =      -13.90035478
  exchange ACFDT corr.  =        -0.00519683  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7305
    SETDIJ:  cpu time      1.2510: real time      1.2563
    TRIAL :  cpu time    585.0219: real time    589.8284
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    587.2678: real time    592.0871

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2838133E-05  (-0.2840606E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0008920 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.19525687
  -exchange      EXHF   =        33.26420197
  -V(xc)+E(xc)   XCENC  =       -83.54894247
  PAW double counting   =    100977.81671524  -100876.85808385
  entropy T*S    EENTRO =        -0.00538068
  eigenvalues    EBANDS =       -35.29646516
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215176 eV

  energy without entropy =      -13.89677107  energy(sigma->0) =      -13.90035820
  exchange ACFDT corr.  =        -0.00519655  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7243: real time      0.7297
    SETDIJ:  cpu time      1.2465: real time      1.2516
    TRIAL :  cpu time    581.8736: real time    586.6914
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2658: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    584.1153: real time    588.9461

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1267069E-04  ( 0.8885886E-06)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008917 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.18209667
  -exchange      EXHF   =        33.26416263
  -V(xc)+E(xc)   XCENC  =       -83.54895792
  PAW double counting   =    100978.28314267  -100877.32450093
  entropy T*S    EENTRO =        -0.00538029
  eigenvalues    EBANDS =       -35.30959532
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216443 eV

  energy without entropy =      -13.89678414  energy(sigma->0) =      -13.90037100
  exchange ACFDT corr.  =        -0.00519523  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7299
    SETDIJ:  cpu time      1.2504: real time      1.2560
    TRIAL :  cpu time    585.6466: real time    590.4676
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    589.7972: real time    594.5388
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time   1177.6883: real time   1187.2641

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2395725E-05  (-0.9297447E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008914 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.33967754
  -Hartree energ DENC   =      -700.18217892
  -exchange      EXHF   =        33.26418173
  -V(xc)+E(xc)   XCENC  =       -83.54895776
  PAW double counting   =    100978.76802116  -100877.80938229
  entropy T*S    EENTRO =        -0.00538086
  eigenvalues    EBANDS =       -35.30951077
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216203 eV

  energy without entropy =      -13.89678117  energy(sigma->0) =      -13.90036841
  exchange ACFDT corr.  =        -0.00519490  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9492


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8740       2 -69.7656       3 -69.7817       4 -69.7970       5 -69.9209
 
 
 
 E-fermi :   3.1527     XC(G=0):  -5.1202     alpha+bet : -8.9779

 Fermi energy:         3.1527061011

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8918      1.00000
      2      -9.9910      1.00000
      3      -8.6236      1.00000
      4      -6.7613      1.00000
      5      -4.3346      1.00000
      6      -1.5917      1.00000
      7       1.6181      1.00000
      8       4.6286     -0.00000
      9       5.4126     -0.00000
     10       7.9280     -0.00000
     11       7.9892     -0.00000
     12      11.8918      0.00000
     13      12.1842      0.00000
     14      16.0639      0.00000
     15      16.1087      0.00000
     16      16.1739      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7820      1.00000
      3      -8.4135      1.00000
      4      -6.5495      1.00000
      5      -4.1186      1.00000
      6      -1.3816      1.00000
      7       1.8317      1.00000
      8       4.8115     -0.00000
      9       5.5869     -0.00000
     10       8.0959     -0.00000
     11       8.1542     -0.00000
     12      12.0201      0.00000
     13      12.2803      0.00000
     14      13.1203      0.00000
     15      13.8523      0.00000
     16      14.3303      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7820      1.00000
      3      -8.4135      1.00000
      4      -6.5495      1.00000
      5      -4.1186      1.00000
      6      -1.3816      1.00000
      7       1.8317      1.00000
      8       4.8115     -0.00000
      9       5.5869     -0.00000
     10       8.0959     -0.00000
     11       8.1542     -0.00000
     12      12.0201      0.00000
     13      12.2803      0.00000
     14      13.1203      0.00000
     15      13.8518      0.00000
     16      14.3770      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7820      1.00000
      3      -8.4135      1.00000
      4      -6.5495      1.00000
      5      -4.1186      1.00000
      6      -1.3816      1.00000
      7       1.8317      1.00000
      8       4.8115     -0.00000
      9       5.5869     -0.00000
     10       8.0959     -0.00000
     11       8.1542     -0.00000
     12      12.0201      0.00000
     13      12.2803      0.00000
     14      13.1203      0.00000
     15      13.8519      0.00000
     16      14.3294      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1545      1.00000
      3      -7.7828      1.00000
      4      -5.9139      1.00000
      5      -3.4718      1.00000
      6      -0.7523      1.00000
      7       2.4581      1.00001
      8       5.3430     -0.00000
      9       6.1048     -0.00000
     10       8.4798     -0.00000
     11       8.6272      0.00000
     12       9.7290      0.00000
     13      10.2710      0.00000
     14      11.3728      0.00000
     15      12.5034      0.00000
     16      12.7704      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1545      1.00000
      3      -7.7828      1.00000
      4      -5.9139      1.00000
      5      -3.4718      1.00000
      6      -0.7523      1.00000
      7       2.4581      1.00001
      8       5.3430     -0.00000
      9       6.1048     -0.00000
     10       8.4798     -0.00000
     11       8.6272      0.00000
     12       9.7290      0.00000
     13      10.2710      0.00000
     14      11.3728      0.00000
     15      12.5052      0.00000
     16      12.7968      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1545      1.00000
      3      -7.7828      1.00000
      4      -5.9139      1.00000
      5      -3.4718      1.00000
      6      -0.7523      1.00000
      7       2.4581      1.00001
      8       5.3430     -0.00000
      9       6.1048     -0.00000
     10       8.4798     -0.00000
     11       8.6272      0.00000
     12       9.7290      0.00000
     13      10.2710      0.00000
     14      11.3728      0.00000
     15      12.5063      0.00000
     16      12.8440      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0146      1.00000
      2      -8.1078      1.00000
      3      -6.7305      1.00000
      4      -4.8546      1.00000
      5      -2.3998      1.00000
      6       0.2855      1.00000
      7       3.4158     -0.03430
      8       5.6446     -0.00000
      9       6.5429     -0.00000
     10       6.8642     -0.00000
     11       7.0513     -0.00000
     12       8.0610     -0.00000
     13       9.4032      0.00000
     14       9.5806      0.00000
     15       9.8049      0.00000
     16      11.5899      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0146      1.00000
      2      -8.1078      1.00000
      3      -6.7305      1.00000
      4      -4.8546      1.00000
      5      -2.3998      1.00000
      6       0.2855      1.00000
      7       3.4158     -0.03430
      8       5.6446     -0.00000
      9       6.5429     -0.00000
     10       6.8642     -0.00000
     11       7.0513     -0.00000
     12       8.0610     -0.00000
     13       9.4032      0.00000
     14       9.5806      0.00000
     15       9.8049      0.00000
     16      11.5953      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0146      1.00000
      2      -8.1078      1.00000
      3      -6.7305      1.00000
      4      -4.8546      1.00000
      5      -2.3998      1.00000
      6       0.2855      1.00000
      7       3.4158     -0.03430
      8       5.6446     -0.00000
      9       6.5429     -0.00000
     10       6.8642     -0.00000
     11       7.0513     -0.00000
     12       8.0610     -0.00000
     13       9.4032      0.00000
     14       9.5806      0.00000
     15       9.8049      0.00000
     16      11.6136      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5518      1.00000
      2      -6.6394      1.00000
      3      -5.2552      1.00000
      4      -3.3754      1.00000
      5      -0.9338      1.00000
      6       1.5753      1.00000
      7       2.5467      1.00008
      8       3.5231     -0.01246
      9       4.7976     -0.00000
     10       5.1320     -0.00000
     11       6.5226     -0.00000
     12       7.6510     -0.00000
     13       8.2138     -0.00000
     14       8.7118      0.00000
     15      10.5161      0.00000
     16      10.8283      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5518      1.00000
      2      -6.6394      1.00000
      3      -5.2552      1.00000
      4      -3.3754      1.00000
      5      -0.9338      1.00000
      6       1.5753      1.00000
      7       2.5467      1.00008
      8       3.5231     -0.01246
      9       4.7976     -0.00000
     10       5.1320     -0.00000
     11       6.5226     -0.00000
     12       7.6510     -0.00000
     13       8.2138     -0.00000
     14       8.7118      0.00000
     15      10.5162      0.00000
     16      10.8274      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5518      1.00000
      2      -6.6394      1.00000
      3      -5.2552      1.00000
      4      -3.3754      1.00000
      5      -0.9338      1.00000
      6       1.5753      1.00000
      7       2.5467      1.00008
      8       3.5231     -0.01246
      9       4.7976     -0.00000
     10       5.1320     -0.00000
     11       6.5226     -0.00000
     12       7.6510     -0.00000
     13       8.2138     -0.00000
     14       8.7118      0.00000
     15      10.5160      0.00000
     16      10.8275      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7468      1.00000
      3      -3.3617      1.00000
      4      -1.5223      1.00000
      5      -0.6681      1.00000
      6       0.1153      1.00000
      7       1.1136      1.00000
      8       2.0144      1.00000
      9       3.6470     -0.00130
     10       3.7427     -0.00012
     11       5.9341     -0.00000
     12       6.7080     -0.00000
     13       8.2340     -0.00000
     14       9.1955      0.00000
     15       9.7534      0.00000
     16      10.5803      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7468      1.00000
      3      -3.3617      1.00000
      4      -1.5223      1.00000
      5      -0.6681      1.00000
      6       0.1153      1.00000
      7       1.1136      1.00000
      8       2.0144      1.00000
      9       3.6470     -0.00130
     10       3.7427     -0.00012
     11       5.9341     -0.00000
     12       6.7080     -0.00000
     13       8.2340     -0.00000
     14       9.1955      0.00000
     15       9.7534      0.00000
     16      10.4039      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7468      1.00000
      3      -3.3617      1.00000
      4      -1.5223      1.00000
      5      -0.6681      1.00000
      6       0.1153      1.00000
      7       1.1136      1.00000
      8       2.0144      1.00000
      9       3.6470     -0.00130
     10       3.7427     -0.00012
     11       5.9341     -0.00000
     12       6.7080     -0.00000
     13       8.2340     -0.00000
     14       9.1955      0.00000
     15       9.7534      0.00000
     16      10.4299      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3453      1.00000
      3      -2.4501      1.00000
      4      -2.4365      1.00000
      5      -1.2989      1.00000
      6      -0.9051      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3863     -0.03493
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0165     -0.00000
     13       8.4069     -0.00000
     14       8.8615      0.00000
     15      10.2339      0.00000
     16      10.5374      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3453      1.00000
      3      -2.4501      1.00000
      4      -2.4365      1.00000
      5      -1.2989      1.00000
      6      -0.9051      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3863     -0.03493
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0165     -0.00000
     13       8.4069     -0.00000
     14       8.8615      0.00000
     15      10.2338      0.00000
     16      10.5405      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3453      1.00000
      3      -2.4501      1.00000
      4      -2.4365      1.00000
      5      -1.2989      1.00000
      6      -0.9051      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3863     -0.03493
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0165     -0.00000
     13       8.4069     -0.00000
     14       8.8615      0.00000
     15      10.2335      0.00000
     16      10.5372      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3637      1.00000
      3      -7.9931      1.00000
      4      -6.1258      1.00000
      5      -3.6872      1.00000
      6      -0.9618      1.00000
      7       2.2521      1.00000
      8       5.1704     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4625     -0.00000
     12      11.4286      0.00000
     13      11.4433      0.00000
     14      11.8840      0.00000
     15      12.0131      0.00000
     16      12.6547      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3637      1.00000
      3      -7.9931      1.00000
      4      -6.1258      1.00000
      5      -3.6872      1.00000
      6      -0.9618      1.00000
      7       2.2521      1.00000
      8       5.1704     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4625     -0.00000
     12      11.4286      0.00000
     13      11.4437      0.00000
     14      11.8845      0.00000
     15      12.0128      0.00000
     16      12.6491      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3637      1.00000
      3      -7.9931      1.00000
      4      -6.1258      1.00000
      5      -3.6872      1.00000
      6      -0.9618      1.00000
      7       2.2521      1.00000
      8       5.1704     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4625     -0.00000
     12      11.4286      0.00000
     13      11.4431      0.00000
     14      11.8846      0.00000
     15      12.0137      0.00000
     16      12.6528      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7167      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7166      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7167      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7166      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7168      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7165      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8976      0.00000
     15       9.5956      0.00000
     16      10.1413      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8975      0.00000
     15       9.5956      0.00000
     16      10.0486      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8979      0.00000
     15       9.5980      0.00000
     16      10.2506      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8985      0.00000
     15       9.5961      0.00000
     16      10.2427      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8975      0.00000
     15       9.5954      0.00000
     16      10.0681      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8986      0.00000
     15       9.7498      0.00000
     16      10.1567      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6514      0.00000
     15       9.1020      0.00000
     16       9.1234      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1233      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1227      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1230      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6514      0.00000
     15       9.1020      0.00000
     16       9.1235      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1022      0.00000
     16       9.1228      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6984      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.7070      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8372      0.00000
     16       9.7054      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6951      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6946      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.7084      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3884      1.00000
      2      -7.4792      1.00000
      3      -6.0987      1.00000
      4      -4.2194      1.00000
      5      -1.7621      1.00000
      6       0.8998      1.00000
      7       3.9561     -0.00000
      8       6.0176     -0.00000
      9       6.4940     -0.00000
     10       7.2267     -0.00000
     11       7.3174     -0.00000
     12       7.4859     -0.00000
     13       7.6016     -0.00000
     14       8.3724     -0.00000
     15       8.7392      0.00000
     16      10.0538      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3884      1.00000
      2      -7.4792      1.00000
      3      -6.0987      1.00000
      4      -4.2194      1.00000
      5      -1.7621      1.00000
      6       0.8998      1.00000
      7       3.9561     -0.00000
      8       6.0176     -0.00000
      9       6.4940     -0.00000
     10       7.2267     -0.00000
     11       7.3174     -0.00000
     12       7.4859     -0.00000
     13       7.6016     -0.00000
     14       8.3724     -0.00000
     15       8.7392      0.00000
     16      10.0618      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3884      1.00000
      2      -7.4792      1.00000
      3      -6.0987      1.00000
      4      -4.2194      1.00000
      5      -1.7621      1.00000
      6       0.8998      1.00000
      7       3.9561     -0.00000
      8       6.0176     -0.00000
      9       6.4940     -0.00000
     10       7.2267     -0.00000
     11       7.3174     -0.00000
     12       7.4859     -0.00000
     13       7.6016     -0.00000
     14       8.3724     -0.00000
     15       8.7392      0.00000
     16      10.0542      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57140
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7574      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57140
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7580      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57140
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4144     -0.00000
     16       8.7576      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57140
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4145     -0.00000
     16       8.7575      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57140
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7581      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57140
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7574      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8441      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8456      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8444      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8680      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8780      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8797      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7193      1.00000
      3      -1.8246      1.00000
      4      -1.8163      1.00000
      5      -0.6848      1.00000
      6      -0.2920      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7746     -0.00005
     10       3.9023     -0.00000
     11       4.7182     -0.00000
     12       5.7533     -0.00000
     13       6.3934     -0.00000
     14       6.7525     -0.00000
     15       7.1221     -0.00000
     16       8.7278      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7193      1.00000
      3      -1.8246      1.00000
      4      -1.8163      1.00000
      5      -0.6848      1.00000
      6      -0.2920      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7746     -0.00005
     10       3.9023     -0.00000
     11       4.7182     -0.00000
     12       5.7533     -0.00000
     13       6.3934     -0.00000
     14       6.7525     -0.00000
     15       7.1221     -0.00000
     16       8.7062      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7193      1.00000
      3      -1.8246      1.00000
      4      -1.8163      1.00000
      5      -0.6848      1.00000
      6      -0.2920      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7746     -0.00005
     10       3.9023     -0.00000
     11       4.7182     -0.00000
     12       5.7533     -0.00000
     13       6.3934     -0.00000
     14       6.7525     -0.00000
     15       7.1221     -0.00000
     16       8.7035      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.3287      1.00000
      3      -2.9414      1.00000
      4      -1.0862      1.00000
      5       1.1508      1.00000
      6       2.0993      1.00000
      7       2.2620      1.00000
      8       2.9841      0.99961
      9       3.4390     -0.03057
     10       4.2244     -0.00000
     11       4.4848     -0.00000
     12       4.8512     -0.00000
     13       6.2093     -0.00000
     14       6.8503     -0.00000
     15       7.2515     -0.00000
     16       8.6870      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.3287      1.00000
      3      -2.9414      1.00000
      4      -1.0862      1.00000
      5       1.1508      1.00000
      6       2.0993      1.00000
      7       2.2620      1.00000
      8       2.9841      0.99961
      9       3.4390     -0.03057
     10       4.2244     -0.00000
     11       4.4848     -0.00000
     12       4.8512     -0.00000
     13       6.2093     -0.00000
     14       6.8503     -0.00000
     15       7.2515     -0.00000
     16       8.6947      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.3287      1.00000
      3      -2.9414      1.00000
      4      -1.0862      1.00000
      5       1.1508      1.00000
      6       2.0993      1.00000
      7       2.2620      1.00000
      8       2.9841      0.99961
      9       3.4390     -0.03057
     10       4.2244     -0.00000
     11       4.4848     -0.00000
     12       4.8512     -0.00000
     13       6.2093     -0.00000
     14       6.8503     -0.00000
     15       7.2515     -0.00000
     16       8.6977      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2264     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2516     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38717
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2328     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38717
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2344     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2317     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.4068     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8769      1.00000
      2      -0.8619      1.00000
      3      -0.8360      1.00000
      4      -0.0241      1.00000
      5       0.0469      1.00000
      6       0.0603      1.00000
      7       1.0883      1.00000
      8       1.0901      1.00000
      9       1.7904      1.00000
     10       2.6805      1.00211
     11       4.0772     -0.00000
     12       4.1129     -0.00000
     13       5.9726     -0.00000
     14       6.0042     -0.00000
     15       6.0585     -0.00000
     16       8.0137     -0.00000
 Fermi energy:         3.1527061011

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8918      1.00000
      2      -9.9910      1.00000
      3      -8.6236      1.00000
      4      -6.7613      1.00000
      5      -4.3346      1.00000
      6      -1.5917      1.00000
      7       1.6181      1.00000
      8       4.6286     -0.00000
      9       5.4126     -0.00000
     10       7.9280     -0.00000
     11       7.9892     -0.00000
     12      11.8918      0.00000
     13      12.1842      0.00000
     14      16.0640      0.00000
     15      16.1496      0.00000
     16      16.3086      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7820      1.00000
      3      -8.4135      1.00000
      4      -6.5495      1.00000
      5      -4.1186      1.00000
      6      -1.3816      1.00000
      7       1.8317      1.00000
      8       4.8115     -0.00000
      9       5.5869     -0.00000
     10       8.0959     -0.00000
     11       8.1542     -0.00000
     12      12.0201      0.00000
     13      12.2803      0.00000
     14      13.1203      0.00000
     15      13.8517      0.00000
     16      14.3241      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7820      1.00000
      3      -8.4135      1.00000
      4      -6.5495      1.00000
      5      -4.1186      1.00000
      6      -1.3816      1.00000
      7       1.8317      1.00000
      8       4.8115     -0.00000
      9       5.5869     -0.00000
     10       8.0959     -0.00000
     11       8.1542     -0.00000
     12      12.0201      0.00000
     13      12.2803      0.00000
     14      13.1203      0.00000
     15      13.8517      0.00000
     16      14.3233      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6833      1.00000
      2      -9.7820      1.00000
      3      -8.4135      1.00000
      4      -6.5495      1.00000
      5      -4.1186      1.00000
      6      -1.3816      1.00000
      7       1.8317      1.00000
      8       4.8115     -0.00000
      9       5.5869     -0.00000
     10       8.0959     -0.00000
     11       8.1542     -0.00000
     12      12.0201      0.00000
     13      12.2803      0.00000
     14      13.1203      0.00000
     15      13.8519      0.00000
     16      14.3273      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1545      1.00000
      3      -7.7828      1.00000
      4      -5.9139      1.00000
      5      -3.4718      1.00000
      6      -0.7523      1.00000
      7       2.4581      1.00001
      8       5.3430     -0.00000
      9       6.1048     -0.00000
     10       8.4798     -0.00000
     11       8.6272      0.00000
     12       9.7290      0.00000
     13      10.2710      0.00000
     14      11.3728      0.00000
     15      12.5091      0.00000
     16      12.8421      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1545      1.00000
      3      -7.7828      1.00000
      4      -5.9139      1.00000
      5      -3.4718      1.00000
      6      -0.7523      1.00000
      7       2.4581      1.00001
      8       5.3430     -0.00000
      9       6.1048     -0.00000
     10       8.4798     -0.00000
     11       8.6272      0.00000
     12       9.7290      0.00000
     13      10.2710      0.00000
     14      11.3728      0.00000
     15      12.5036      0.00000
     16      12.7697      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1545      1.00000
      3      -7.7828      1.00000
      4      -5.9139      1.00000
      5      -3.4718      1.00000
      6      -0.7523      1.00000
      7       2.4581      1.00001
      8       5.3430     -0.00000
      9       6.1048     -0.00000
     10       8.4798     -0.00000
     11       8.6272      0.00000
     12       9.7290      0.00000
     13      10.2710      0.00000
     14      11.3728      0.00000
     15      12.5060      0.00000
     16      12.8107      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0146      1.00000
      2      -8.1078      1.00000
      3      -6.7306      1.00000
      4      -4.8546      1.00000
      5      -2.3998      1.00000
      6       0.2855      1.00000
      7       3.4158     -0.03430
      8       5.6446     -0.00000
      9       6.5429     -0.00000
     10       6.8642     -0.00000
     11       7.0513     -0.00000
     12       8.0610     -0.00000
     13       9.4032      0.00000
     14       9.5806      0.00000
     15       9.8049      0.00000
     16      11.5916      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0146      1.00000
      2      -8.1078      1.00000
      3      -6.7306      1.00000
      4      -4.8546      1.00000
      5      -2.3998      1.00000
      6       0.2855      1.00000
      7       3.4158     -0.03430
      8       5.6446     -0.00000
      9       6.5429     -0.00000
     10       6.8642     -0.00000
     11       7.0513     -0.00000
     12       8.0610     -0.00000
     13       9.4032      0.00000
     14       9.5806      0.00000
     15       9.8049      0.00000
     16      11.6096      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0146      1.00000
      2      -8.1078      1.00000
      3      -6.7306      1.00000
      4      -4.8546      1.00000
      5      -2.3998      1.00000
      6       0.2855      1.00000
      7       3.4158     -0.03430
      8       5.6446     -0.00000
      9       6.5429     -0.00000
     10       6.8642     -0.00000
     11       7.0513     -0.00000
     12       8.0610     -0.00000
     13       9.4032      0.00000
     14       9.5806      0.00000
     15       9.8049      0.00000
     16      11.5977      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5518      1.00000
      2      -6.6394      1.00000
      3      -5.2552      1.00000
      4      -3.3754      1.00000
      5      -0.9338      1.00000
      6       1.5753      1.00000
      7       2.5467      1.00008
      8       3.5231     -0.01246
      9       4.7976     -0.00000
     10       5.1320     -0.00000
     11       6.5226     -0.00000
     12       7.6510     -0.00000
     13       8.2138     -0.00000
     14       8.7118      0.00000
     15      10.5155      0.00000
     16      10.8280      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5518      1.00000
      2      -6.6394      1.00000
      3      -5.2552      1.00000
      4      -3.3754      1.00000
      5      -0.9338      1.00000
      6       1.5753      1.00000
      7       2.5467      1.00008
      8       3.5231     -0.01246
      9       4.7976     -0.00000
     10       5.1320     -0.00000
     11       6.5226     -0.00000
     12       7.6510     -0.00000
     13       8.2138     -0.00000
     14       8.7118      0.00000
     15      10.5171      0.00000
     16      10.8307      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5518      1.00000
      2      -6.6394      1.00000
      3      -5.2552      1.00000
      4      -3.3754      1.00000
      5      -0.9338      1.00000
      6       1.5753      1.00000
      7       2.5467      1.00008
      8       3.5231     -0.01246
      9       4.7976     -0.00000
     10       5.1320     -0.00000
     11       6.5226     -0.00000
     12       7.6510     -0.00000
     13       8.2138     -0.00000
     14       8.7118      0.00000
     15      10.5168      0.00000
     16      10.8310      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7468      1.00000
      3      -3.3617      1.00000
      4      -1.5223      1.00000
      5      -0.6681      1.00000
      6       0.1153      1.00000
      7       1.1136      1.00000
      8       2.0144      1.00000
      9       3.6470     -0.00130
     10       3.7427     -0.00012
     11       5.9341     -0.00000
     12       6.7080     -0.00000
     13       8.2340     -0.00000
     14       9.1955      0.00000
     15       9.7534      0.00000
     16      10.4387      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7468      1.00000
      3      -3.3617      1.00000
      4      -1.5223      1.00000
      5      -0.6681      1.00000
      6       0.1153      1.00000
      7       1.1136      1.00000
      8       2.0144      1.00000
      9       3.6470     -0.00130
     10       3.7427     -0.00012
     11       5.9341     -0.00000
     12       6.7080     -0.00000
     13       8.2340     -0.00000
     14       9.1955      0.00000
     15       9.7534      0.00000
     16      10.4716      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7468      1.00000
      3      -3.3617      1.00000
      4      -1.5223      1.00000
      5      -0.6681      1.00000
      6       0.1153      1.00000
      7       1.1136      1.00000
      8       2.0144      1.00000
      9       3.6470     -0.00130
     10       3.7427     -0.00012
     11       5.9341     -0.00000
     12       6.7080     -0.00000
     13       8.2340     -0.00000
     14       9.1955      0.00000
     15       9.7535      0.00000
     16      10.4755      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3453      1.00000
      3      -2.4501      1.00000
      4      -2.4365      1.00000
      5      -1.2989      1.00000
      6      -0.9051      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3863     -0.03493
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0165     -0.00000
     13       8.4069     -0.00000
     14       8.8615      0.00000
     15      10.2464      0.00000
     16      10.5678      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3453      1.00000
      3      -2.4501      1.00000
      4      -2.4365      1.00000
      5      -1.2989      1.00000
      6      -0.9051      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3863     -0.03493
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0165     -0.00000
     13       8.4069     -0.00000
     14       8.8615      0.00000
     15      10.2336      0.00000
     16      10.5385      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3453      1.00000
      3      -2.4501      1.00000
      4      -2.4365      1.00000
      5      -1.2989      1.00000
      6      -0.9051      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3863     -0.03493
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0165     -0.00000
     13       8.4069     -0.00000
     14       8.8615      0.00000
     15      10.2389      0.00000
     16      10.5378      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3637      1.00000
      3      -7.9931      1.00000
      4      -6.1258      1.00000
      5      -3.6872      1.00000
      6      -0.9618      1.00000
      7       2.2521      1.00000
      8       5.1704     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4625     -0.00000
     12      11.4286      0.00000
     13      11.4431      0.00000
     14      11.8842      0.00000
     15      12.0134      0.00000
     16      12.6463      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3637      1.00000
      3      -7.9931      1.00000
      4      -6.1258      1.00000
      5      -3.6872      1.00000
      6      -0.9618      1.00000
      7       2.2521      1.00000
      8       5.1704     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4625     -0.00000
     12      11.4286      0.00000
     13      11.4430      0.00000
     14      11.8846      0.00000
     15      12.0144      0.00000
     16      12.6368      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3637      1.00000
      3      -7.9931      1.00000
      4      -6.1258      1.00000
      5      -3.6872      1.00000
      6      -0.9618      1.00000
      7       2.2521      1.00000
      8       5.1704     -0.00000
      9       5.9336     -0.00000
     10       8.4206     -0.00000
     11       8.4625     -0.00000
     12      11.4286      0.00000
     13      11.4431      0.00000
     14      11.8838      0.00000
     15      12.0218      0.00000
     16      12.7076      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7166      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7166      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7165      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7166      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7165      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5267      1.00000
      3      -7.1517      1.00000
      4      -5.2782      1.00000
      5      -2.8273      1.00000
      6      -0.1266      1.00000
      7       3.0578      0.85494
      8       5.8222     -0.00000
      9       6.6021     -0.00000
     10       7.8587     -0.00000
     11       8.5845     -0.00000
     12       9.0031      0.00000
     13       9.4209      0.00000
     14       9.8316      0.00000
     15      10.1810      0.00000
     16      10.7165      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8975      0.00000
     15       9.5952      0.00000
     16      10.0520      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8978      0.00000
     15       9.5957      0.00000
     16      10.1315      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8976      0.00000
     15       9.5952      0.00000
     16      10.0926      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8976      0.00000
     15       9.5953      0.00000
     16      10.0915      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8976      0.00000
     15       9.5975      0.00000
     16      10.2714      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1793      1.00000
      2      -7.2693      1.00000
      3      -5.8878      1.00000
      4      -4.0081      1.00000
      5      -1.5524      1.00000
      6       1.0915      1.00000
      7       3.8112     -0.00002
      8       4.6809     -0.00000
      9       5.4019     -0.00000
     10       6.5060     -0.00000
     11       7.0865     -0.00000
     12       7.6978     -0.00000
     13       8.1792     -0.00000
     14       8.8975      0.00000
     15       9.5953      0.00000
     16      10.1269      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1022      0.00000
     16       9.1233      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1232      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1021      0.00000
     16       9.1228      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1230      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1228      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5887      1.00000
      3      -4.2017      1.00000
      4      -2.3288      1.00000
      5       0.0168      1.00000
      6       0.9999      1.00000
      7       1.9755      1.00000
      8       2.9855      0.99869
      9       3.5193     -0.01306
     10       5.1936     -0.00000
     11       5.9033     -0.00000
     12       7.3269     -0.00000
     13       7.9798     -0.00000
     14       8.6513      0.00000
     15       9.1020      0.00000
     16       9.1229      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8371      0.00000
     16       9.6947      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6982      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6986      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6955      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.6946      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4059      1.00000
      2      -3.4870      1.00000
      3      -2.1184      1.00000
      4      -1.8943      1.00000
      5      -1.0435      1.00000
      6      -0.3619      1.00000
      7       0.6401      1.00000
      8       2.2895      1.00000
      9       2.6641      1.00150
     10       4.7333     -0.00000
     11       4.9054     -0.00000
     12       7.0254     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8370      0.00000
     16       9.7058      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3884      1.00000
      2      -7.4792      1.00000
      3      -6.0987      1.00000
      4      -4.2194      1.00000
      5      -1.7621      1.00000
      6       0.8998      1.00000
      7       3.9561     -0.00000
      8       6.0176     -0.00000
      9       6.4940     -0.00000
     10       7.2267     -0.00000
     11       7.3174     -0.00000
     12       7.4859     -0.00000
     13       7.6016     -0.00000
     14       8.3724     -0.00000
     15       8.7392      0.00000
     16      10.0581      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3884      1.00000
      2      -7.4792      1.00000
      3      -6.0987      1.00000
      4      -4.2194      1.00000
      5      -1.7621      1.00000
      6       0.8998      1.00000
      7       3.9561     -0.00000
      8       6.0176     -0.00000
      9       6.4940     -0.00000
     10       7.2267     -0.00000
     11       7.3174     -0.00000
     12       7.4859     -0.00000
     13       7.6016     -0.00000
     14       8.3724     -0.00000
     15       8.7392      0.00000
     16      10.0506      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3884      1.00000
      2      -7.4792      1.00000
      3      -6.0987      1.00000
      4      -4.2194      1.00000
      5      -1.7621      1.00000
      6       0.8998      1.00000
      7       3.9561     -0.00000
      8       6.0176     -0.00000
      9       6.4940     -0.00000
     10       7.2267     -0.00000
     11       7.3174     -0.00000
     12       7.4859     -0.00000
     13       7.6016     -0.00000
     14       8.3724     -0.00000
     15       8.7392      0.00000
     16      10.0604      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57141
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4144     -0.00000
     16       8.7574      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57141
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4144     -0.00000
     16       8.7576      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57141
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7578      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57141
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7577      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57141
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4144     -0.00000
     16       8.7574      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9246      1.00000
      2      -6.0099      1.00000
      3      -4.6233      1.00000
      4      -2.7436      1.00000
      5      -0.3137      1.00000
      6       2.1603      1.00000
      7       3.1355      0.57141
      8       4.0979     -0.00000
      9       5.0877     -0.00000
     10       5.3537     -0.00000
     11       5.9055     -0.00000
     12       6.4783     -0.00000
     13       7.0120     -0.00000
     14       7.7593     -0.00000
     15       8.4143     -0.00000
     16       8.7580      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8474      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8320      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8459      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8515      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8588      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.1178      1.00000
      3      -2.7334      1.00000
      4      -0.9044      1.00000
      5      -0.0515      1.00000
      6       0.7173      1.00000
      7       1.7043      1.00000
      8       2.5861      1.00023
      9       4.0699     -0.00000
     10       4.2686     -0.00000
     11       4.8676     -0.00000
     12       5.7262     -0.00000
     13       6.6239     -0.00000
     14       7.3947     -0.00000
     15       7.5229     -0.00000
     16       8.8731      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7193      1.00000
      3      -1.8246      1.00000
      4      -1.8163      1.00000
      5      -0.6848      1.00000
      6      -0.2920      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7746     -0.00005
     10       3.9023     -0.00000
     11       4.7182     -0.00000
     12       5.7533     -0.00000
     13       6.3934     -0.00000
     14       6.7525     -0.00000
     15       7.1221     -0.00000
     16       8.6784      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7193      1.00000
      3      -1.8246      1.00000
      4      -1.8163      1.00000
      5      -0.6848      1.00000
      6      -0.2920      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7746     -0.00005
     10       3.9023     -0.00000
     11       4.7182     -0.00000
     12       5.7533     -0.00000
     13       6.3934     -0.00000
     14       6.7525     -0.00000
     15       7.1221     -0.00000
     16       8.6765      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7193      1.00000
      3      -1.8246      1.00000
      4      -1.8163      1.00000
      5      -0.6848      1.00000
      6      -0.2920      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7746     -0.00005
     10       3.9023     -0.00000
     11       4.7182     -0.00000
     12       5.7533     -0.00000
     13       6.3934     -0.00000
     14       6.7525     -0.00000
     15       7.1221     -0.00000
     16       8.6911      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.3287      1.00000
      3      -2.9414      1.00000
      4      -1.0862      1.00000
      5       1.1508      1.00000
      6       2.0993      1.00000
      7       2.2620      1.00000
      8       2.9840      0.99961
      9       3.4390     -0.03057
     10       4.2244     -0.00000
     11       4.4848     -0.00000
     12       4.8512     -0.00000
     13       6.2093     -0.00000
     14       6.8503     -0.00000
     15       7.2515     -0.00000
     16       8.6904      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.3287      1.00000
      3      -2.9414      1.00000
      4      -1.0862      1.00000
      5       1.1508      1.00000
      6       2.0993      1.00000
      7       2.2620      1.00000
      8       2.9840      0.99961
      9       3.4390     -0.03057
     10       4.2244     -0.00000
     11       4.4848     -0.00000
     12       4.8512     -0.00000
     13       6.2093     -0.00000
     14       6.8503     -0.00000
     15       7.2515     -0.00000
     16       8.6874      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.3287      1.00000
      3      -2.9414      1.00000
      4      -1.0862      1.00000
      5       1.1508      1.00000
      6       2.0993      1.00000
      7       2.2620      1.00000
      8       2.9841      0.99961
      9       3.4390     -0.03057
     10       4.2244     -0.00000
     11       4.4848     -0.00000
     12       4.8512     -0.00000
     13       6.2093     -0.00000
     14       6.8503     -0.00000
     15       7.2515     -0.00000
     16       8.6895      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38719
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2310     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2423     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38719
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2384     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2615     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38719
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2366     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1498      1.00000
      2      -2.2344      1.00000
      3      -0.8811      1.00000
      4      -0.6489      1.00000
      5       0.1798      1.00000
      6       0.8192      1.00000
      7       1.7554      1.00000
      8       1.8293      1.00000
      9       2.5527      1.00009
     10       3.1791      0.38718
     11       4.1323     -0.00000
     12       4.6569     -0.00000
     13       6.0479     -0.00000
     14       6.1513     -0.00000
     15       6.3677     -0.00000
     16       8.2568     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8769      1.00000
      2      -0.8619      1.00000
      3      -0.8360      1.00000
      4      -0.0241      1.00000
      5       0.0469      1.00000
      6       0.0603      1.00000
      7       1.0883      1.00000
      8       1.0901      1.00000
      9       1.7904      1.00000
     10       2.6805      1.00211
     11       4.0772     -0.00000
     12       4.1129     -0.00000
     13       5.9726     -0.00000
     14       6.0042     -0.00000
     15       6.0585     -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  23.496   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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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  23.496  -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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
115.780 -61.841  -0.000  -0.082   0.000   0.000  -0.023   0.000
-61.841  33.031   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.082   0.035   0.000   1.744   0.000  -0.000  -0.267  -0.000
  0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   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      0.0019
    FORHF :  cpu time    422.0593: real time    425.0082
    FORNL :  cpu time      0.5007: real time      0.5059
    FORCOR:  cpu time      1.9728: real time      1.9834
    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
 -----------------------------------------------------------------------------------------------
   0.124E-05 -.271E-05 0.183E+03   0.437E-13 0.276E-13 -.182E+03   -.142E-05 0.269E-05 -.125E+01
   0.116E-05 0.241E-05 0.912E+02   -.374E-14 0.520E-14 -.913E+02   -.198E-05 -.223E-05 0.143E+00
   0.277E-05 0.430E-06 -.648E+00   -.143E-12 -.912E-13 0.646E+00   -.304E-05 -.103E-06 0.138E-01
   0.112E-05 0.218E-05 -.925E+02   0.137E-12 0.842E-13 0.924E+02   -.164E-05 -.249E-05 0.106E+00
   0.110E-05 -.252E-05 -.181E+03   -.440E-13 -.227E-13 0.180E+03   -.620E-06 0.289E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.709E-05 -.653E-06 0.171E-02   -.971E-14 0.313E-14 -.284E-13   -.870E-05 0.746E-06 0.173E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.127424
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.107824
      1.42873      0.82488      4.65622        -0.000001     -0.000000      0.007510
      2.85746      1.64976      6.98086         0.000000     -0.000000      0.007909
      0.00000      0.00000      9.36547         0.000000     -0.000000      0.004181
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000000      0.019844


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90216203 eV

  energy  without entropy=      -13.89678117  energy(sigma->0) =      -13.90036841
 
 d Force = 0.4810610E-07[-0.132E-05, 0.142E-05]  d Energy =-0.5220703E-05 0.527E-05
 d Force =-0.1361169E+00[-0.136E+00,-0.136E+00]  d Ewald  =-0.1361169E+00 0.119E-09


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


    POTLOK:  cpu time      1.9735: real time      1.9842


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.658E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   5.4680
 eigenvalue spectrum of G is  5.4680  5.4680


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


    WAVPRE:  cpu time      0.0060: real time      0.0868
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0849
    POTLOK:  cpu time      1.9707: real time      1.9823
    EDDIAG:  cpu time    591.0846: real time    595.8324
    CHARGE:  cpu time      0.2654: real time      0.2674
 writing wavefunctions
     LOOP+:  cpu time   7475.5813: real time   7537.0310


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


    POTLOK:  cpu time      0.7254: real time      0.7308
    SETDIJ:  cpu time      1.2506: real time      1.2557
    TRIAL :  cpu time    586.1784: real time    590.9900
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    588.4337: real time    593.2587

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1189650E-02  (-0.5091734E-02)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008955 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.18239672
  -exchange      EXHF   =        33.26384362
  -V(xc)+E(xc)   XCENC  =       -83.54906613
  PAW double counting   =    100979.13739933  -100878.17876448
  entropy T*S    EENTRO =        -0.00541665
  eigenvalues    EBANDS =       -35.22170817
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90097478 eV

  energy without entropy =      -13.89555812  energy(sigma->0) =      -13.89916923
  exchange ACFDT corr.  =        -0.00521053  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7253: real time      0.7308
    SETDIJ:  cpu time      1.2482: real time      1.2535
    TRIAL :  cpu time    587.6655: real time    592.4783
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    589.9090: real time    594.7345

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5000497E-03  (-0.4181066E-02)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008966 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.08749940
  -exchange      EXHF   =        33.26334360
  -V(xc)+E(xc)   XCENC  =       -83.54924046
  PAW double counting   =    100975.99236355  -100875.03369758
  entropy T*S    EENTRO =        -0.00541873
  eigenvalues    EBANDS =       -35.31546053
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90047473 eV

  energy without entropy =      -13.89505600  energy(sigma->0) =      -13.89866848
  exchange ACFDT corr.  =        -0.00521192  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2520: real time      1.2572
    TRIAL :  cpu time    584.4924: real time    589.3327
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2647: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    586.7387: real time    591.5915

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1573335E-02  ( 0.7474265E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008973 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.10544334
  -exchange      EXHF   =        33.26332120
  -V(xc)+E(xc)   XCENC  =       -83.54925813
  PAW double counting   =    100976.92062498  -100875.96194558
  entropy T*S    EENTRO =        -0.00541984
  eigenvalues    EBANDS =       -35.29906121
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90204806 eV

  energy without entropy =      -13.89662822  energy(sigma->0) =      -13.90024145
  exchange ACFDT corr.  =        -0.00520763  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2490: real time      1.2544
    TRIAL :  cpu time    587.7450: real time    592.5657
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    589.9903: real time    594.8239

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9312578E-04  (-0.8363688E-03)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008976 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.10868602
  -exchange      EXHF   =        33.26326665
  -V(xc)+E(xc)   XCENC  =       -83.54928126
  PAW double counting   =    100976.67651669  -100875.71784584
  entropy T*S    EENTRO =        -0.00542064
  eigenvalues    EBANDS =       -35.29563806
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90195494 eV

  energy without entropy =      -13.89653429  energy(sigma->0) =      -13.90014806
  exchange ACFDT corr.  =        -0.00521144  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7255: real time      0.7309
    SETDIJ:  cpu time      1.2507: real time      1.2559
    TRIAL :  cpu time    587.0964: real time    591.9143
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    589.3425: real time    594.1730

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1935603E-04  (-0.5340856E-03)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008982 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.08907113
  -exchange      EXHF   =        33.26317397
  -V(xc)+E(xc)   XCENC  =       -83.54931430
  PAW double counting   =    100975.66199798  -100874.70334344
  entropy T*S    EENTRO =        -0.00541948
  eigenvalues    EBANDS =       -35.31509076
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90193558 eV

  energy without entropy =      -13.89651610  energy(sigma->0) =      -13.90012909
  exchange ACFDT corr.  =        -0.00521251  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7299
    SETDIJ:  cpu time      1.2472: real time      1.2523
    TRIAL :  cpu time    585.5945: real time    590.4120
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    587.8359: real time    592.6660

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2189738E-03  ( 0.1643357E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008984 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.10450635
  -exchange      EXHF   =        33.26327829
  -V(xc)+E(xc)   XCENC  =       -83.54928149
  PAW double counting   =    100976.35617344  -100875.39750975
  entropy T*S    EENTRO =        -0.00541847
  eigenvalues    EBANDS =       -35.30002196
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215455 eV

  energy without entropy =      -13.89673608  energy(sigma->0) =      -13.90034840
  exchange ACFDT corr.  =        -0.00520836  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7302
    SETDIJ:  cpu time      1.2511: real time      1.2567
    TRIAL :  cpu time    583.7450: real time    588.5903
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    585.9905: real time    590.8488

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2698509E-04  (-0.1357649E-03)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008983 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.10840865
  -exchange      EXHF   =        33.26333489
  -V(xc)+E(xc)   XCENC  =       -83.54926235
  PAW double counting   =    100976.78675864  -100875.82809450
  entropy T*S    EENTRO =        -0.00541864
  eigenvalues    EBANDS =       -35.29616988
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212757 eV

  energy without entropy =      -13.89670893  energy(sigma->0) =      -13.90032136
  exchange ACFDT corr.  =        -0.00521144  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7309
    SETDIJ:  cpu time      1.2505: real time      1.2558
    TRIAL :  cpu time    585.7433: real time    590.5637
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2644: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    587.9886: real time    592.8223

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6325718E-05  (-0.6538079E-04)
 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  =       402.25374850
  -Hartree energ DENC   =      -700.10241433
  -exchange      EXHF   =        33.26333038
  -V(xc)+E(xc)   XCENC  =       -83.54926179
  PAW double counting   =    100976.88008374  -100875.92143221
  entropy T*S    EENTRO =        -0.00541872
  eigenvalues    EBANDS =       -35.30215378
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90213389 eV

  energy without entropy =      -13.89671518  energy(sigma->0) =      -13.90032766
  exchange ACFDT corr.  =        -0.00521202  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7298
    SETDIJ:  cpu time      1.2506: real time      1.2558
    TRIAL :  cpu time    584.2420: real time    589.0439
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    586.4874: real time    591.3018

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2942095E-04  ( 0.1877730E-05)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008980 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.10997916
  -exchange      EXHF   =        33.26337053
  -V(xc)+E(xc)   XCENC  =       -83.54924802
  PAW double counting   =    100977.55615237  -100876.59749501
  entropy T*S    EENTRO =        -0.00541885
  eigenvalues    EBANDS =       -35.29467806
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216332 eV

  energy without entropy =      -13.89674447  energy(sigma->0) =      -13.90035703
  exchange ACFDT corr.  =        -0.00521236  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7256: real time      0.7310
    SETDIJ:  cpu time      1.2508: real time      1.2560
    TRIAL :  cpu time    584.5778: real time    589.3800
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    586.8245: real time    591.6394

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5440845E-05  (-0.2153413E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008977 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.11132848
  -exchange      EXHF   =        33.26337502
  -V(xc)+E(xc)   XCENC  =       -83.54924645
  PAW double counting   =    100978.10571124  -100877.14705610
  entropy T*S    EENTRO =        -0.00541908
  eigenvalues    EBANDS =       -35.29332700
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215788 eV

  energy without entropy =      -13.89673880  energy(sigma->0) =      -13.90035152
  exchange ACFDT corr.  =        -0.00521218  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2508: real time      1.2560
    TRIAL :  cpu time    584.4233: real time    589.2240
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    590.0010: real time    594.7154
    CHARGE:  cpu time      0.2644: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time   1176.6693: real time   1186.1971

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2271030E-05  (-0.7873044E-05)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008975 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.25374850
  -Hartree energ DENC   =      -700.10599379
  -exchange      EXHF   =        33.26334547
  -V(xc)+E(xc)   XCENC  =       -83.54925562
  PAW double counting   =    100978.40436872  -100877.44571823
  entropy T*S    EENTRO =        -0.00541912
  eigenvalues    EBANDS =       -35.29862176
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216015 eV

  energy without entropy =      -13.89674103  energy(sigma->0) =      -13.90035377
  exchange ACFDT corr.  =        -0.00521238  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1011


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8992       2 -69.7830       3 -69.7805       4 -69.7781       5 -69.8962
 
 
 
 E-fermi :   3.1528     XC(G=0):  -5.1203     alpha+bet : -8.9779

 Fermi energy:         3.1527688645

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8924      1.00000
      2      -9.9887      1.00000
      3      -8.6216      1.00000
      4      -6.7614      1.00000
      5      -4.3347      1.00000
      6      -1.5916      1.00000
      7       1.6185      1.00000
      8       4.6277     -0.00000
      9       5.4117     -0.00000
     10       7.9273     -0.00000
     11       7.9888     -0.00000
     12      11.8915      0.00000
     13      12.1838      0.00000
     14      16.0635      0.00000
     15      16.0948      0.00000
     16      16.1457      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6839      1.00000
      2      -9.7796      1.00000
      3      -8.4115      1.00000
      4      -6.5495      1.00000
      5      -4.1187      1.00000
      6      -1.3815      1.00000
      7       1.8321      1.00000
      8       4.8106     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1538     -0.00000
     12      12.0199      0.00000
     13      12.2799      0.00000
     14      13.1197      0.00000
     15      13.8536      0.00000
     16      14.3267      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6839      1.00000
      2      -9.7796      1.00000
      3      -8.4115      1.00000
      4      -6.5495      1.00000
      5      -4.1187      1.00000
      6      -1.3815      1.00000
      7       1.8321      1.00000
      8       4.8106     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1538     -0.00000
     12      12.0199      0.00000
     13      12.2799      0.00000
     14      13.1197      0.00000
     15      13.8536      0.00000
     16      14.3577      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6839      1.00000
      2      -9.7796      1.00000
      3      -8.4115      1.00000
      4      -6.5495      1.00000
      5      -4.1187      1.00000
      6      -1.3815      1.00000
      7       1.8321      1.00000
      8       4.8106     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1538     -0.00000
     12      12.0199      0.00000
     13      12.2799      0.00000
     14      13.1197      0.00000
     15      13.8536      0.00000
     16      14.3265      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0584      1.00000
      2      -9.1522      1.00000
      3      -7.7808      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7523      1.00000
      7       2.4585      1.00001
      8       5.3422     -0.00000
      9       6.1039     -0.00000
     10       8.4793     -0.00000
     11       8.6267      0.00000
     12       9.7281      0.00000
     13      10.2731      0.00000
     14      11.3749      0.00000
     15      12.5030      0.00000
     16      12.7695      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0584      1.00000
      2      -9.1522      1.00000
      3      -7.7808      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7523      1.00000
      7       2.4585      1.00001
      8       5.3422     -0.00000
      9       6.1039     -0.00000
     10       8.4793     -0.00000
     11       8.6267      0.00000
     12       9.7281      0.00000
     13      10.2731      0.00000
     14      11.3749      0.00000
     15      12.5045      0.00000
     16      12.7937      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0584      1.00000
      2      -9.1522      1.00000
      3      -7.7808      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7523      1.00000
      7       2.4585      1.00001
      8       5.3422     -0.00000
      9       6.1039     -0.00000
     10       8.4793     -0.00000
     11       8.6267      0.00000
     12       9.7281      0.00000
     13      10.2731      0.00000
     14      11.3749      0.00000
     15      12.5054      0.00000
     16      12.8375      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0153      1.00000
      2      -8.1055      1.00000
      3      -6.7285      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2855      1.00000
      7       3.4161     -0.03432
      8       5.6439     -0.00000
      9       6.5423     -0.00000
     10       6.8658     -0.00000
     11       7.0508     -0.00000
     12       8.0630     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8048      0.00000
     16      11.5897      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0153      1.00000
      2      -8.1055      1.00000
      3      -6.7285      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2855      1.00000
      7       3.4161     -0.03432
      8       5.6439     -0.00000
      9       6.5423     -0.00000
     10       6.8658     -0.00000
     11       7.0508     -0.00000
     12       8.0630     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8048      0.00000
     16      11.5943      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0153      1.00000
      2      -8.1055      1.00000
      3      -6.7285      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2855      1.00000
      7       3.4161     -0.03432
      8       5.6439     -0.00000
      9       6.5423     -0.00000
     10       6.8658     -0.00000
     11       7.0508     -0.00000
     12       8.0630     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8048      0.00000
     16      11.6103      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6370      1.00000
      3      -5.2532      1.00000
      4      -3.3754      1.00000
      5      -0.9340      1.00000
      6       1.5754      1.00000
      7       2.5463      1.00008
      8       3.5248     -0.01222
      9       4.7996     -0.00000
     10       5.1326     -0.00000
     11       6.5226     -0.00000
     12       7.6502     -0.00000
     13       8.2129     -0.00000
     14       8.7117      0.00000
     15      10.5153      0.00000
     16      10.8269      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6370      1.00000
      3      -5.2532      1.00000
      4      -3.3754      1.00000
      5      -0.9340      1.00000
      6       1.5754      1.00000
      7       2.5463      1.00008
      8       3.5248     -0.01222
      9       4.7996     -0.00000
     10       5.1326     -0.00000
     11       6.5226     -0.00000
     12       7.6502     -0.00000
     13       8.2129     -0.00000
     14       8.7117      0.00000
     15      10.5153      0.00000
     16      10.8261      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6370      1.00000
      3      -5.2532      1.00000
      4      -3.3754      1.00000
      5      -0.9340      1.00000
      6       1.5754      1.00000
      7       2.5463      1.00008
      8       3.5248     -0.01222
      9       4.7996     -0.00000
     10       5.1326     -0.00000
     11       6.5226     -0.00000
     12       7.6502     -0.00000
     13       8.2129     -0.00000
     14       8.7117      0.00000
     15      10.5152      0.00000
     16      10.8266      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6661      1.00000
      2      -4.7444      1.00000
      3      -3.3596      1.00000
      4      -1.5223      1.00000
      5      -0.6689      1.00000
      6       0.1174      1.00000
      7       1.1144      1.00000
      8       2.0158      1.00000
      9       3.6473     -0.00131
     10       3.7425     -0.00012
     11       5.9340     -0.00000
     12       6.7084     -0.00000
     13       8.2340     -0.00000
     14       9.1947      0.00000
     15       9.7526      0.00000
     16      10.5629      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6661      1.00000
      2      -4.7444      1.00000
      3      -3.3596      1.00000
      4      -1.5223      1.00000
      5      -0.6689      1.00000
      6       0.1174      1.00000
      7       1.1144      1.00000
      8       2.0158      1.00000
      9       3.6473     -0.00131
     10       3.7425     -0.00012
     11       5.9340     -0.00000
     12       6.7084     -0.00000
     13       8.2340     -0.00000
     14       9.1947      0.00000
     15       9.7526      0.00000
     16      10.4021      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6661      1.00000
      2      -4.7444      1.00000
      3      -3.3596      1.00000
      4      -1.5223      1.00000
      5      -0.6689      1.00000
      6       0.1174      1.00000
      7       1.1144      1.00000
      8       2.0158      1.00000
      9       3.6473     -0.00131
     10       3.7425     -0.00012
     11       5.9340     -0.00000
     12       6.7084     -0.00000
     13       8.2340     -0.00000
     14       9.1947      0.00000
     15       9.7526      0.00000
     16      10.4207      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3679      1.00000
      2      -3.3458      1.00000
      3      -2.4479      1.00000
      4      -2.4340      1.00000
      5      -1.2963      1.00000
      6      -0.9033      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3862     -0.03491
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0166     -0.00000
     13       8.4072     -0.00000
     14       8.8618      0.00000
     15      10.2326      0.00000
     16      10.5365      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3679      1.00000
      2      -3.3458      1.00000
      3      -2.4479      1.00000
      4      -2.4340      1.00000
      5      -1.2963      1.00000
      6      -0.9033      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3862     -0.03491
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0166     -0.00000
     13       8.4072     -0.00000
     14       8.8618      0.00000
     15      10.2332      0.00000
     16      10.5376      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3679      1.00000
      2      -3.3458      1.00000
      3      -2.4479      1.00000
      4      -2.4340      1.00000
      5      -1.2963      1.00000
      6      -0.9033      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3862     -0.03491
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0166     -0.00000
     13       8.4072     -0.00000
     14       8.8618      0.00000
     15      10.2327      0.00000
     16      10.5363      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2669      1.00000
      2      -9.3614      1.00000
      3      -7.9911      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2525      1.00000
      8       5.1696     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4621     -0.00000
     12      11.4264      0.00000
     13      11.4429      0.00000
     14      11.8865      0.00000
     15      12.0145      0.00000
     16      12.6518      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2669      1.00000
      2      -9.3614      1.00000
      3      -7.9911      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2525      1.00000
      8       5.1696     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4621     -0.00000
     12      11.4264      0.00000
     13      11.4432      0.00000
     14      11.8868      0.00000
     15      12.0146      0.00000
     16      12.6449      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2669      1.00000
      2      -9.3614      1.00000
      3      -7.9911      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2525      1.00000
      8       5.1696     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4621     -0.00000
     12      11.4264      0.00000
     13      11.4428      0.00000
     14      11.8867      0.00000
     15      12.0156      0.00000
     16      12.6529      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7192      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7190      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7192      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5976      0.00000
     16      10.1249      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5974      0.00000
     16      10.0432      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8970      0.00000
     15       9.5987      0.00000
     16      10.2456      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8973      0.00000
     15       9.5977      0.00000
     16      10.2360      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5973      0.00000
     16      10.0571      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8970      0.00000
     15       9.6709      0.00000
     16      10.1344      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99836
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1255      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99837
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1253      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99836
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1251      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99836
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1253      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99836
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1254      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99837
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1006      0.00000
     16       9.1251      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6982      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.7051      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8389      0.00000
     16       9.7022      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6957      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6954      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.7036      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3890      1.00000
      2      -7.4768      1.00000
      3      -6.0967      1.00000
      4      -4.2195      1.00000
      5      -1.7622      1.00000
      6       0.8999      1.00000
      7       3.9564     -0.00000
      8       6.0170     -0.00000
      9       6.4933     -0.00000
     10       7.2277     -0.00000
     11       7.3179     -0.00000
     12       7.4872     -0.00000
     13       7.6013     -0.00000
     14       8.3753     -0.00000
     15       8.7407      0.00000
     16      10.0520      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3890      1.00000
      2      -7.4768      1.00000
      3      -6.0967      1.00000
      4      -4.2195      1.00000
      5      -1.7622      1.00000
      6       0.8999      1.00000
      7       3.9564     -0.00000
      8       6.0170     -0.00000
      9       6.4933     -0.00000
     10       7.2277     -0.00000
     11       7.3179     -0.00000
     12       7.4872     -0.00000
     13       7.6013     -0.00000
     14       8.3753     -0.00000
     15       8.7407      0.00000
     16      10.0602      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3890      1.00000
      2      -7.4768      1.00000
      3      -6.0967      1.00000
      4      -4.2195      1.00000
      5      -1.7622      1.00000
      6       0.8999      1.00000
      7       3.9564     -0.00000
      8       6.0170     -0.00000
      9       6.4933     -0.00000
     10       7.2277     -0.00000
     11       7.3179     -0.00000
     12       7.4872     -0.00000
     13       7.6013     -0.00000
     14       8.3753     -0.00000
     15       8.7407      0.00000
     16      10.0537      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7566      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7570      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57152
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4139     -0.00000
     16       8.7567      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7567      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57152
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7571      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7566      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8422      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8460      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8434      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8667      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8761      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8780      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7197      1.00000
      3      -1.8227      1.00000
      4      -1.8136      1.00000
      5      -0.6821      1.00000
      6      -0.2902      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7744     -0.00005
     10       3.9022     -0.00000
     11       4.7186     -0.00000
     12       5.7546     -0.00000
     13       6.3931     -0.00000
     14       6.7527     -0.00000
     15       7.1241     -0.00000
     16       8.7166      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7197      1.00000
      3      -1.8227      1.00000
      4      -1.8136      1.00000
      5      -0.6821      1.00000
      6      -0.2902      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7744     -0.00005
     10       3.9022     -0.00000
     11       4.7186     -0.00000
     12       5.7546     -0.00000
     13       6.3931     -0.00000
     14       6.7527     -0.00000
     15       7.1241     -0.00000
     16       8.6993      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7197      1.00000
      3      -1.8227      1.00000
      4      -1.8136      1.00000
      5      -0.6821      1.00000
      6      -0.2902      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7744     -0.00005
     10       3.9022     -0.00000
     11       4.7186     -0.00000
     12       5.7546     -0.00000
     13       6.3931     -0.00000
     14       6.7527     -0.00000
     15       7.1241     -0.00000
     16       8.6972      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2488      1.00000
      2      -4.3263      1.00000
      3      -2.9393      1.00000
      4      -1.0862      1.00000
      5       1.1507      1.00000
      6       2.0984      1.00000
      7       2.2626      1.00000
      8       2.9859      0.99847
      9       3.4402     -0.03028
     10       4.2266     -0.00000
     11       4.4856     -0.00000
     12       4.8527     -0.00000
     13       6.2095     -0.00000
     14       6.8504     -0.00000
     15       7.2518     -0.00000
     16       8.6860      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2488      1.00000
      2      -4.3263      1.00000
      3      -2.9393      1.00000
      4      -1.0862      1.00000
      5       1.1507      1.00000
      6       2.0984      1.00000
      7       2.2626      1.00000
      8       2.9859      0.99847
      9       3.4402     -0.03028
     10       4.2266     -0.00000
     11       4.4856     -0.00000
     12       4.8527     -0.00000
     13       6.2095     -0.00000
     14       6.8504     -0.00000
     15       7.2518     -0.00000
     16       8.6930      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2488      1.00000
      2      -4.3263      1.00000
      3      -2.9393      1.00000
      4      -1.0862      1.00000
      5       1.1507      1.00000
      6       2.0984      1.00000
      7       2.2626      1.00000
      8       2.9859      0.99847
      9       3.4402     -0.03028
     10       4.2266     -0.00000
     11       4.4856     -0.00000
     12       4.8527     -0.00000
     13       6.2095     -0.00000
     14       6.8504     -0.00000
     15       7.2518     -0.00000
     16       8.6956      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38709
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2266     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38710
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2448     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38709
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2318     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38710
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2320     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38710
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2306     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38709
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.3986     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8798      1.00000
      2      -0.8605      1.00000
      3      -0.8368      1.00000
      4      -0.0217      1.00000
      5       0.0452      1.00000
      6       0.0661      1.00000
      7       1.0871      1.00000
      8       1.0973      1.00000
      9       1.7917      1.00000
     10       2.6802      1.00209
     11       4.0871     -0.00000
     12       4.1032     -0.00000
     13       5.9733     -0.00000
     14       6.0028     -0.00000
     15       6.0591     -0.00000
     16       8.0134     -0.00000
 Fermi energy:         3.1527688645

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8924      1.00000
      2      -9.9887      1.00000
      3      -8.6216      1.00000
      4      -6.7614      1.00000
      5      -4.3347      1.00000
      6      -1.5916      1.00000
      7       1.6185      1.00000
      8       4.6277     -0.00000
      9       5.4117     -0.00000
     10       7.9273     -0.00000
     11       7.9888     -0.00000
     12      11.8915      0.00000
     13      12.1838      0.00000
     14      16.0630      0.00000
     15      16.1264      0.00000
     16      16.2745      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6839      1.00000
      2      -9.7796      1.00000
      3      -8.4115      1.00000
      4      -6.5495      1.00000
      5      -4.1187      1.00000
      6      -1.3815      1.00000
      7       1.8321      1.00000
      8       4.8106     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1538     -0.00000
     12      12.0199      0.00000
     13      12.2799      0.00000
     14      13.1197      0.00000
     15      13.8537      0.00000
     16      14.3232      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6839      1.00000
      2      -9.7796      1.00000
      3      -8.4115      1.00000
      4      -6.5495      1.00000
      5      -4.1187      1.00000
      6      -1.3815      1.00000
      7       1.8321      1.00000
      8       4.8106     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1538     -0.00000
     12      12.0199      0.00000
     13      12.2799      0.00000
     14      13.1197      0.00000
     15      13.8537      0.00000
     16      14.3226      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6839      1.00000
      2      -9.7796      1.00000
      3      -8.4115      1.00000
      4      -6.5495      1.00000
      5      -4.1187      1.00000
      6      -1.3815      1.00000
      7       1.8321      1.00000
      8       4.8106     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1538     -0.00000
     12      12.0199      0.00000
     13      12.2799      0.00000
     14      13.1197      0.00000
     15      13.8538      0.00000
     16      14.3252      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0584      1.00000
      2      -9.1522      1.00000
      3      -7.7808      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7523      1.00000
      7       2.4585      1.00001
      8       5.3422     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7281      0.00000
     13      10.2731      0.00000
     14      11.3749      0.00000
     15      12.5078      0.00000
     16      12.8345      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0584      1.00000
      2      -9.1522      1.00000
      3      -7.7808      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7523      1.00000
      7       2.4585      1.00001
      8       5.3422     -0.00000
      9       6.1039     -0.00000
     10       8.4793     -0.00000
     11       8.6267      0.00000
     12       9.7281      0.00000
     13      10.2731      0.00000
     14      11.3749      0.00000
     15      12.5032      0.00000
     16      12.7689      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0584      1.00000
      2      -9.1522      1.00000
      3      -7.7808      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7523      1.00000
      7       2.4585      1.00001
      8       5.3422     -0.00000
      9       6.1039     -0.00000
     10       8.4793     -0.00000
     11       8.6267      0.00000
     12       9.7281      0.00000
     13      10.2731      0.00000
     14      11.3749      0.00000
     15      12.5051      0.00000
     16      12.8064      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0153      1.00000
      2      -8.1055      1.00000
      3      -6.7285      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2855      1.00000
      7       3.4161     -0.03432
      8       5.6439     -0.00000
      9       6.5423     -0.00000
     10       6.8658     -0.00000
     11       7.0508     -0.00000
     12       8.0630     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8048      0.00000
     16      11.5911      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0153      1.00000
      2      -8.1055      1.00000
      3      -6.7285      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2855      1.00000
      7       3.4161     -0.03432
      8       5.6439     -0.00000
      9       6.5423     -0.00000
     10       6.8658     -0.00000
     11       7.0508     -0.00000
     12       8.0630     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8048      0.00000
     16      11.6068      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0153      1.00000
      2      -8.1055      1.00000
      3      -6.7285      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2855      1.00000
      7       3.4161     -0.03432
      8       5.6439     -0.00000
      9       6.5423     -0.00000
     10       6.8658     -0.00000
     11       7.0508     -0.00000
     12       8.0630     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8048      0.00000
     16      11.5964      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6370      1.00000
      3      -5.2532      1.00000
      4      -3.3754      1.00000
      5      -0.9340      1.00000
      6       1.5754      1.00000
      7       2.5463      1.00008
      8       3.5248     -0.01222
      9       4.7996     -0.00000
     10       5.1326     -0.00000
     11       6.5226     -0.00000
     12       7.6502     -0.00000
     13       8.2129     -0.00000
     14       8.7117      0.00000
     15      10.5149      0.00000
     16      10.8270      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6370      1.00000
      3      -5.2532      1.00000
      4      -3.3754      1.00000
      5      -0.9340      1.00000
      6       1.5754      1.00000
      7       2.5463      1.00008
      8       3.5248     -0.01222
      9       4.7996     -0.00000
     10       5.1326     -0.00000
     11       6.5226     -0.00000
     12       7.6502     -0.00000
     13       8.2129     -0.00000
     14       8.7117      0.00000
     15      10.5161      0.00000
     16      10.8294      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6370      1.00000
      3      -5.2532      1.00000
      4      -3.3754      1.00000
      5      -0.9340      1.00000
      6       1.5754      1.00000
      7       2.5463      1.00008
      8       3.5248     -0.01222
      9       4.7996     -0.00000
     10       5.1326     -0.00000
     11       6.5226     -0.00000
     12       7.6502     -0.00000
     13       8.2129     -0.00000
     14       8.7117      0.00000
     15      10.5158      0.00000
     16      10.8289      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6661      1.00000
      2      -4.7444      1.00000
      3      -3.3596      1.00000
      4      -1.5223      1.00000
      5      -0.6689      1.00000
      6       0.1174      1.00000
      7       1.1144      1.00000
      8       2.0158      1.00000
      9       3.6473     -0.00131
     10       3.7425     -0.00012
     11       5.9340     -0.00000
     12       6.7084     -0.00000
     13       8.2340     -0.00000
     14       9.1947      0.00000
     15       9.7526      0.00000
     16      10.4272      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6661      1.00000
      2      -4.7444      1.00000
      3      -3.3596      1.00000
      4      -1.5223      1.00000
      5      -0.6689      1.00000
      6       0.1174      1.00000
      7       1.1144      1.00000
      8       2.0158      1.00000
      9       3.6473     -0.00131
     10       3.7425     -0.00012
     11       5.9340     -0.00000
     12       6.7084     -0.00000
     13       8.2340     -0.00000
     14       9.1947      0.00000
     15       9.7526      0.00000
     16      10.4555      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6661      1.00000
      2      -4.7444      1.00000
      3      -3.3596      1.00000
      4      -1.5223      1.00000
      5      -0.6689      1.00000
      6       0.1174      1.00000
      7       1.1144      1.00000
      8       2.0158      1.00000
      9       3.6473     -0.00131
     10       3.7425     -0.00012
     11       5.9340     -0.00000
     12       6.7084     -0.00000
     13       8.2340     -0.00000
     14       9.1947      0.00000
     15       9.7526      0.00000
     16      10.4588      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3679      1.00000
      2      -3.3458      1.00000
      3      -2.4479      1.00000
      4      -2.4340      1.00000
      5      -1.2963      1.00000
      6      -0.9033      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3862     -0.03491
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0166     -0.00000
     13       8.4072     -0.00000
     14       8.8618      0.00000
     15      10.2372      0.00000
     16      10.5470      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3679      1.00000
      2      -3.3458      1.00000
      3      -2.4479      1.00000
      4      -2.4340      1.00000
      5      -1.2963      1.00000
      6      -0.9033      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3862     -0.03491
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0166     -0.00000
     13       8.4072     -0.00000
     14       8.8618      0.00000
     15      10.2325      0.00000
     16      10.5371      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3679      1.00000
      2      -3.3458      1.00000
      3      -2.4479      1.00000
      4      -2.4340      1.00000
      5      -1.2963      1.00000
      6      -0.9033      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3862     -0.03491
     10       3.5254     -0.01208
     11       5.6746     -0.00000
     12       6.0166     -0.00000
     13       8.4072     -0.00000
     14       8.8618      0.00000
     15      10.2331      0.00000
     16      10.5366      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2669      1.00000
      2      -9.3614      1.00000
      3      -7.9911      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2525      1.00000
      8       5.1696     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4621     -0.00000
     12      11.4264      0.00000
     13      11.4428      0.00000
     14      11.8866      0.00000
     15      12.0150      0.00000
     16      12.6448      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2669      1.00000
      2      -9.3614      1.00000
      3      -7.9911      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2525      1.00000
      8       5.1696     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4621     -0.00000
     12      11.4264      0.00000
     13      11.4428      0.00000
     14      11.8869      0.00000
     15      12.0149      0.00000
     16      12.6340      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2669      1.00000
      2      -9.3614      1.00000
      3      -7.9911      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2525      1.00000
      8       5.1696     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4621     -0.00000
     12      11.4264      0.00000
     13      11.4428      0.00000
     14      11.8864      0.00000
     15      12.0202      0.00000
     16      12.7016      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7191      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85542
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85542
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85542
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7190      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4327      1.00000
      2      -8.5244      1.00000
      3      -7.1496      1.00000
      4      -5.2783      1.00000
      5      -2.8274      1.00000
      6      -0.1265      1.00000
      7       3.0581      0.85543
      8       5.8214     -0.00000
      9       6.6012     -0.00000
     10       7.8577     -0.00000
     11       8.5867     -0.00000
     12       9.0026      0.00000
     13       9.4203      0.00000
     14       9.8336      0.00000
     15      10.1801      0.00000
     16      10.7189      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5973      0.00000
     16      10.0477      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8969      0.00000
     15       9.5974      0.00000
     16      10.1128      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5973      0.00000
     16      10.0782      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5973      0.00000
     16      10.0771      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5987      0.00000
     16      10.2692      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1799      1.00000
      2      -7.2670      1.00000
      3      -5.8858      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0916      1.00000
      7       3.8112     -0.00002
      8       4.6805     -0.00000
      9       5.4042     -0.00000
     10       6.5078     -0.00000
     11       7.0859     -0.00000
     12       7.6970     -0.00000
     13       8.1792     -0.00000
     14       8.8968      0.00000
     15       9.5973      0.00000
     16      10.1121      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99837
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1007      0.00000
     16       9.1252      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99836
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1256      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99837
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1006      0.00000
     16       9.1251      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99837
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1252      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99837
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1251      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5864      1.00000
      3      -4.1996      1.00000
      4      -2.3288      1.00000
      5       0.0167      1.00000
      6       0.9996      1.00000
      7       1.9773      1.00000
      8       2.9857      0.99836
      9       3.5213     -0.01294
     10       5.1937     -0.00000
     11       5.9036     -0.00000
     12       7.3268     -0.00000
     13       7.9795     -0.00000
     14       8.6509      0.00000
     15       9.1005      0.00000
     16       9.1252      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6955      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6981      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6984      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6960      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.6954      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4067      1.00000
      2      -3.4846      1.00000
      3      -2.1164      1.00000
      4      -1.8951      1.00000
      5      -1.0411      1.00000
      6      -0.3611      1.00000
      7       0.6415      1.00000
      8       2.2893      1.00000
      9       2.6642      1.00149
     10       4.7335     -0.00000
     11       4.9051     -0.00000
     12       7.0255     -0.00000
     13       7.4887     -0.00000
     14       8.0156     -0.00000
     15       8.8387      0.00000
     16       9.7044      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3890      1.00000
      2      -7.4768      1.00000
      3      -6.0967      1.00000
      4      -4.2195      1.00000
      5      -1.7622      1.00000
      6       0.8999      1.00000
      7       3.9564     -0.00000
      8       6.0170     -0.00000
      9       6.4933     -0.00000
     10       7.2277     -0.00000
     11       7.3179     -0.00000
     12       7.4872     -0.00000
     13       7.6013     -0.00000
     14       8.3752     -0.00000
     15       8.7407      0.00000
     16      10.0560      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3890      1.00000
      2      -7.4768      1.00000
      3      -6.0967      1.00000
      4      -4.2195      1.00000
      5      -1.7622      1.00000
      6       0.8999      1.00000
      7       3.9564     -0.00000
      8       6.0170     -0.00000
      9       6.4933     -0.00000
     10       7.2277     -0.00000
     11       7.3179     -0.00000
     12       7.4872     -0.00000
     13       7.6013     -0.00000
     14       8.3753     -0.00000
     15       8.7407      0.00000
     16      10.0495      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3890      1.00000
      2      -7.4768      1.00000
      3      -6.0967      1.00000
      4      -4.2195      1.00000
      5      -1.7622      1.00000
      6       0.8999      1.00000
      7       3.9564     -0.00000
      8       6.0170     -0.00000
      9       6.4933     -0.00000
     10       7.2277     -0.00000
     11       7.3179     -0.00000
     12       7.4872     -0.00000
     13       7.6013     -0.00000
     14       8.3753     -0.00000
     15       8.7407      0.00000
     16      10.0594      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7566      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7567      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7568      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7568      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7566      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -6.0075      1.00000
      3      -4.6212      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1604      1.00000
      7       3.1351      0.57151
      8       4.0996     -0.00000
      9       5.0878     -0.00000
     10       5.3557     -0.00000
     11       5.9053     -0.00000
     12       6.4806     -0.00000
     13       7.0126     -0.00000
     14       7.7604     -0.00000
     15       8.4138     -0.00000
     16       8.7570      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8467      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8314      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8465      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8519      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8588      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0382      1.00000
      2      -4.1154      1.00000
      3      -2.7313      1.00000
      4      -0.9044      1.00000
      5      -0.0523      1.00000
      6       0.7194      1.00000
      7       1.7051      1.00000
      8       2.5875      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8674     -0.00000
     12       5.7275     -0.00000
     13       6.6246     -0.00000
     14       7.3960     -0.00000
     15       7.5235     -0.00000
     16       8.8716      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7197      1.00000
      3      -1.8227      1.00000
      4      -1.8136      1.00000
      5      -0.6821      1.00000
      6      -0.2902      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7744     -0.00005
     10       3.9022     -0.00000
     11       4.7186     -0.00000
     12       5.7546     -0.00000
     13       6.3931     -0.00000
     14       6.7527     -0.00000
     15       7.1241     -0.00000
     16       8.6773      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7197      1.00000
      3      -1.8227      1.00000
      4      -1.8136      1.00000
      5      -0.6821      1.00000
      6      -0.2902      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7744     -0.00005
     10       3.9022     -0.00000
     11       4.7186     -0.00000
     12       5.7546     -0.00000
     13       6.3931     -0.00000
     14       6.7527     -0.00000
     15       7.1241     -0.00000
     16       8.6762      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7197      1.00000
      3      -1.8227      1.00000
      4      -1.8136      1.00000
      5      -0.6821      1.00000
      6      -0.2902      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7744     -0.00005
     10       3.9022     -0.00000
     11       4.7186     -0.00000
     12       5.7546     -0.00000
     13       6.3931     -0.00000
     14       6.7527     -0.00000
     15       7.1241     -0.00000
     16       8.6876      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2488      1.00000
      2      -4.3263      1.00000
      3      -2.9393      1.00000
      4      -1.0862      1.00000
      5       1.1507      1.00000
      6       2.0984      1.00000
      7       2.2626      1.00000
      8       2.9859      0.99847
      9       3.4402     -0.03028
     10       4.2266     -0.00000
     11       4.4856     -0.00000
     12       4.8527     -0.00000
     13       6.2095     -0.00000
     14       6.8504     -0.00000
     15       7.2518     -0.00000
     16       8.6890      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2488      1.00000
      2      -4.3263      1.00000
      3      -2.9393      1.00000
      4      -1.0862      1.00000
      5       1.1507      1.00000
      6       2.0984      1.00000
      7       2.2626      1.00000
      8       2.9859      0.99847
      9       3.4402     -0.03028
     10       4.2266     -0.00000
     11       4.4856     -0.00000
     12       4.8527     -0.00000
     13       6.2095     -0.00000
     14       6.8504     -0.00000
     15       7.2518     -0.00000
     16       8.6863      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2488      1.00000
      2      -4.3263      1.00000
      3      -2.9393      1.00000
      4      -1.0862      1.00000
      5       1.1507      1.00000
      6       2.0984      1.00000
      7       2.2626      1.00000
      8       2.9859      0.99847
      9       3.4402     -0.03028
     10       4.2266     -0.00000
     11       4.4856     -0.00000
     12       4.8527     -0.00000
     13       6.2095     -0.00000
     14       6.8504     -0.00000
     15       7.2518     -0.00000
     16       8.6883      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38711
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2301     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38710
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2378     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38711
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2350     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38711
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2533     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38711
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2337     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2320      1.00000
      3      -0.8790      1.00000
      4      -0.6498      1.00000
      5       0.1822      1.00000
      6       0.8200      1.00000
      7       1.7549      1.00000
      8       1.8306      1.00000
      9       2.5545      1.00010
     10       3.1801      0.38711
     11       4.1328     -0.00000
     12       4.6577     -0.00000
     13       6.0478     -0.00000
     14       6.1517     -0.00000
     15       6.3675     -0.00000
     16       8.2489     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8798      1.00000
      2      -0.8605      1.00000
      3      -0.8368      1.00000
      4      -0.0217      1.00000
      5       0.0452      1.00000
      6       0.0661      1.00000
      7       1.0871      1.00000
      8       1.0973      1.00000
      9       1.7917      1.00000
     10       2.6802      1.00209
     11       4.0871     -0.00000
     12       4.1032     -0.00000
     13       5.9733     -0.00000
     14       6.0028     -0.00000
     15       6.0591     -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  23.498   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
115.780 -61.841  -0.000  -0.082  -0.000   0.000  -0.023   0.000
-61.841  33.032   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.082   0.035   0.000   1.744   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   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    421.7461: real time    424.7083
    FORNL :  cpu time      0.5008: real time      0.5059
    FORCOR:  cpu time      1.9711: real time      1.9817
    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
 -----------------------------------------------------------------------------------------------
   -.408E-07 -.728E-05 0.183E+03   0.438E-13 0.280E-13 -.182E+03   0.310E-06 0.828E-05 -.125E+01
   0.104E-05 0.124E-05 0.912E+02   0.402E-15 0.317E-14 -.913E+02   -.155E-05 -.137E-05 0.139E+00
   0.352E-05 0.429E-06 -.704E+00   -.143E-12 -.837E-13 0.688E+00   -.434E-05 -.751E-07 0.205E-01
   0.194E-05 0.444E-06 -.925E+02   0.135E-12 0.798E-13 0.924E+02   -.199E-05 -.168E-06 0.111E+00
   -.150E-06 -.402E-05 -.181E+03   -.466E-13 -.241E-13 0.180E+03   0.102E-05 0.473E-05 0.100E+01
 -----------------------------------------------------------------------------------------------
   0.660E-05 -.974E-05 -.206E-01   -.971E-14 0.313E-14 -.284E-13   -.655E-05 0.114E-04 0.185E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.121318
      0.00000      0.00000      2.33311        -0.000000     -0.000000      0.102156
      1.42873      0.82488      4.65533        -0.000001     -0.000000      0.004726
      2.85746      1.64976      6.98034         0.000000      0.000000      0.007918
      0.00000      0.00000      9.36622         0.000001      0.000000      0.006518
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000002     -0.001094


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90216015 eV

  energy  without entropy=      -13.89674103  energy(sigma->0) =      -13.90035377
 
 d Force =-0.5625127E-05[-0.350E-05,-0.775E-05]  d Energy =-0.1885783E-05-0.374E-05
 d Force = 0.8592904E-01[ 0.859E-01, 0.860E-01]  d Ewald  = 0.8592904E-01-0.520E-09


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


    POTLOK:  cpu time      1.9715: real time      1.9822


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.615E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   6.6612
 eigenvalue spectrum of G is  6.6612


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


    WAVPRE:  cpu time      0.0060: real time      0.0665
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0841
    POTLOK:  cpu time      1.9706: real time      1.9817
    EDDIAG:  cpu time    590.9673: real time    595.6715
    CHARGE:  cpu time      0.2648: real time      0.2667
 writing wavefunctions
     LOOP+:  cpu time   8076.6309: real time   8142.9199


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


    POTLOK:  cpu time      0.7242: real time      0.7297
    SETDIJ:  cpu time      1.2456: real time      1.2507
    TRIAL :  cpu time    585.8202: real time    590.5734
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    588.0698: real time    592.8366

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5010588E-05  (-0.1109796E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0008986 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17901178
  -Hartree energ DENC   =      -700.03303431
  -exchange      EXHF   =        33.26313220
  -V(xc)+E(xc)   XCENC  =       -83.54931972
  PAW double counting   =    100976.87731195  -100875.91864028
  entropy T*S    EENTRO =        -0.00539365
  eigenvalues    EBANDS =       -35.29661375
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216289 eV

  energy without entropy =      -13.89676924  energy(sigma->0) =      -13.90036500
  exchange ACFDT corr.  =        -0.00519633  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7299
    SETDIJ:  cpu time      1.2475: real time      1.2526
    TRIAL :  cpu time    586.8902: real time    591.6850
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    589.3954: real time    594.0851
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time   1178.5276: real time   1188.0247

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8693314E-06  (-0.9644966E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0008991 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17901178
  -Hartree energ DENC   =      -700.03216989
  -exchange      EXHF   =        33.26309830
  -V(xc)+E(xc)   XCENC  =       -83.54932207
  PAW double counting   =    100976.55715489  -100875.59847921
  entropy T*S    EENTRO =        -0.00539250
  eigenvalues    EBANDS =       -35.29747304
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216375 eV

  energy without entropy =      -13.89677125  energy(sigma->0) =      -13.90036625
  exchange ACFDT corr.  =        -0.00519561  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0742


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8731       2 -69.7643       3 -69.7808       4 -69.7970       5 -69.9219
 
 
 
 E-fermi :   3.1529     XC(G=0):  -5.1204     alpha+bet : -8.9779

 Fermi energy:         3.1528600370

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8905      1.00000
      2      -9.9895      1.00000
      3      -8.6227      1.00000
      4      -6.7614      1.00000
      5      -4.3348      1.00000
      6      -1.5916      1.00000
      7       1.6176      1.00000
      8       4.6276     -0.00000
      9       5.4118     -0.00000
     10       7.9275     -0.00000
     11       7.9886     -0.00000
     12      11.8915      0.00000
     13      12.1837      0.00000
     14      16.0650      0.00000
     15      16.0965      0.00000
     16      16.1456      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6820      1.00000
      2      -9.7804      1.00000
      3      -8.4125      1.00000
      4      -6.5495      1.00000
      5      -4.1188      1.00000
      6      -1.3815      1.00000
      7       1.8312      1.00000
      8       4.8104     -0.00000
      9       5.5861     -0.00000
     10       8.0954     -0.00000
     11       8.1536     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1215      0.00000
     15      13.8533      0.00000
     16      14.3286      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6820      1.00000
      2      -9.7804      1.00000
      3      -8.4125      1.00000
      4      -6.5495      1.00000
      5      -4.1188      1.00000
      6      -1.3815      1.00000
      7       1.8312      1.00000
      8       4.8104     -0.00000
      9       5.5861     -0.00000
     10       8.0954     -0.00000
     11       8.1536     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1215      0.00000
     15      13.8531      0.00000
     16      14.3587      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6820      1.00000
      2      -9.7804      1.00000
      3      -8.4125      1.00000
      4      -6.5495      1.00000
      5      -4.1188      1.00000
      6      -1.3815      1.00000
      7       1.8312      1.00000
      8       4.8104     -0.00000
      9       5.5861     -0.00000
     10       8.0954     -0.00000
     11       8.1536     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1215      0.00000
     15      13.8531      0.00000
     16      14.3280      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0565      1.00000
      2      -9.1530      1.00000
      3      -7.7818      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7522      1.00000
      7       2.4576      1.00001
      8       5.3421     -0.00000
      9       6.1040     -0.00000
     10       8.4795     -0.00000
     11       8.6266      0.00000
     12       9.7300      0.00000
     13      10.2724      0.00000
     14      11.3737      0.00000
     15      12.5030      0.00000
     16      12.7698      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0565      1.00000
      2      -9.1530      1.00000
      3      -7.7818      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7522      1.00000
      7       2.4576      1.00001
      8       5.3421     -0.00000
      9       6.1040     -0.00000
     10       8.4795     -0.00000
     11       8.6266      0.00000
     12       9.7300      0.00000
     13      10.2724      0.00000
     14      11.3736      0.00000
     15      12.5044      0.00000
     16      12.7932      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0565      1.00000
      2      -9.1530      1.00000
      3      -7.7818      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7522      1.00000
      7       2.4576      1.00001
      8       5.3421     -0.00000
      9       6.1040     -0.00000
     10       8.4795     -0.00000
     11       8.6266      0.00000
     12       9.7300      0.00000
     13      10.2724      0.00000
     14      11.3737      0.00000
     15      12.5054      0.00000
     16      12.8373      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0134      1.00000
      2      -8.1062      1.00000
      3      -6.7296      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2856      1.00000
      7       3.4154     -0.03436
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8655     -0.00000
     11       7.0507     -0.00000
     12       8.0619     -0.00000
     13       9.4028      0.00000
     14       9.5803      0.00000
     15       9.8048      0.00000
     16      11.5898      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0134      1.00000
      2      -8.1062      1.00000
      3      -6.7296      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2856      1.00000
      7       3.4154     -0.03436
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8655     -0.00000
     11       7.0507     -0.00000
     12       8.0619     -0.00000
     13       9.4028      0.00000
     14       9.5803      0.00000
     15       9.8048      0.00000
     16      11.5945      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0134      1.00000
      2      -8.1062      1.00000
      3      -6.7296      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2856      1.00000
      7       3.4154     -0.03436
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8655     -0.00000
     11       7.0507     -0.00000
     12       8.0619     -0.00000
     13       9.4028      0.00000
     14       9.5803      0.00000
     15       9.8048      0.00000
     16      11.6104      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5505      1.00000
      2      -6.6378      1.00000
      3      -5.2542      1.00000
      4      -3.3754      1.00000
      5      -0.9339      1.00000
      6       1.5757      1.00000
      7       2.5478      1.00008
      8       3.5245     -0.01228
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5226     -0.00000
     12       7.6501     -0.00000
     13       8.2130     -0.00000
     14       8.7117      0.00000
     15      10.5154      0.00000
     16      10.8268      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5505      1.00000
      2      -6.6378      1.00000
      3      -5.2542      1.00000
      4      -3.3754      1.00000
      5      -0.9339      1.00000
      6       1.5757      1.00000
      7       2.5478      1.00008
      8       3.5245     -0.01228
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5226     -0.00000
     12       7.6501     -0.00000
     13       8.2130     -0.00000
     14       8.7117      0.00000
     15      10.5155      0.00000
     16      10.8259      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5505      1.00000
      2      -6.6378      1.00000
      3      -5.2542      1.00000
      4      -3.3754      1.00000
      5      -0.9339      1.00000
      6       1.5757      1.00000
      7       2.5478      1.00008
      8       3.5245     -0.01228
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5226     -0.00000
     12       7.6501     -0.00000
     13       8.2130     -0.00000
     14       8.7117      0.00000
     15      10.5153      0.00000
     16      10.8263      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6641      1.00000
      2      -4.7452      1.00000
      3      -3.3607      1.00000
      4      -1.5222      1.00000
      5      -0.6668      1.00000
      6       0.1166      1.00000
      7       1.1140      1.00000
      8       2.0151      1.00000
      9       3.6470     -0.00131
     10       3.7429     -0.00012
     11       5.9340     -0.00000
     12       6.7077     -0.00000
     13       8.2341     -0.00000
     14       9.1947      0.00000
     15       9.7527      0.00000
     16      10.5611      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6641      1.00000
      2      -4.7452      1.00000
      3      -3.3607      1.00000
      4      -1.5222      1.00000
      5      -0.6668      1.00000
      6       0.1166      1.00000
      7       1.1140      1.00000
      8       2.0151      1.00000
      9       3.6470     -0.00131
     10       3.7429     -0.00012
     11       5.9340     -0.00000
     12       6.7077     -0.00000
     13       8.2342     -0.00000
     14       9.1947      0.00000
     15       9.7527      0.00000
     16      10.4041      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6641      1.00000
      2      -4.7452      1.00000
      3      -3.3607      1.00000
      4      -1.5222      1.00000
      5      -0.6668      1.00000
      6       0.1166      1.00000
      7       1.1140      1.00000
      8       2.0151      1.00000
      9       3.6470     -0.00131
     10       3.7429     -0.00012
     11       5.9340     -0.00000
     12       6.7077     -0.00000
     13       8.2342     -0.00000
     14       9.1947      0.00000
     15       9.7527      0.00000
     16      10.4220      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3440      1.00000
      3      -2.4484      1.00000
      4      -2.4349      1.00000
      5      -1.2977      1.00000
      6      -0.9042      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3861     -0.03489
     10       3.5254     -0.01213
     11       5.6747     -0.00000
     12       6.0167     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2348      0.00000
     16      10.5370      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3440      1.00000
      3      -2.4484      1.00000
      4      -2.4349      1.00000
      5      -1.2977      1.00000
      6      -0.9042      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3861     -0.03489
     10       3.5254     -0.01213
     11       5.6747     -0.00000
     12       6.0167     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2347      0.00000
     16      10.5381      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3440      1.00000
      3      -2.4484      1.00000
      4      -2.4349      1.00000
      5      -1.2977      1.00000
      6      -0.9042      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3861     -0.03489
     10       3.5254     -0.01213
     11       5.6747     -0.00000
     12       6.0167     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2346      0.00000
     16      10.5369      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2651      1.00000
      2      -9.3622      1.00000
      3      -7.9921      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2517      1.00000
      8       5.1694     -0.00000
      9       5.9328     -0.00000
     10       8.4202     -0.00000
     11       8.4619     -0.00000
     12      11.4296      0.00000
     13      11.4443      0.00000
     14      11.8850      0.00000
     15      12.0143      0.00000
     16      12.6513      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2651      1.00000
      2      -9.3622      1.00000
      3      -7.9921      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2517      1.00000
      8       5.1694     -0.00000
      9       5.9328     -0.00000
     10       8.4202     -0.00000
     11       8.4619     -0.00000
     12      11.4296      0.00000
     13      11.4444      0.00000
     14      11.8852      0.00000
     15      12.0141      0.00000
     16      12.6444      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2651      1.00000
      2      -9.3622      1.00000
      3      -7.9921      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2517      1.00000
      8       5.1694     -0.00000
      9       5.9328     -0.00000
     10       8.4202     -0.00000
     11       8.4619     -0.00000
     12      11.4296      0.00000
     13      11.4442      0.00000
     14      11.8852      0.00000
     15      12.0146      0.00000
     16      12.6495      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85646
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85646
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85646
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85646
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85646
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7180      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85646
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5967      0.00000
     16      10.1224      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5967      0.00000
     16      10.0426      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8986      0.00000
     15       9.5979      0.00000
     16      10.2445      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8989      0.00000
     15       9.5970      0.00000
     16      10.2349      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5966      0.00000
     16      10.0562      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1793     -0.00000
     14       8.8987      0.00000
     15       9.6625      0.00000
     16      10.1345      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1240      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1239      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3271     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1236      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1238      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1240      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1017      0.00000
     16       9.1237      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6975      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.7038      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.7006      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6948      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6945      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.7025      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4776      1.00000
      3      -6.0977      1.00000
      4      -4.2194      1.00000
      5      -1.7622      1.00000
      6       0.9000      1.00000
      7       3.9558     -0.00000
      8       6.0182     -0.00000
      9       6.4949     -0.00000
     10       7.2278     -0.00000
     11       7.3176     -0.00000
     12       7.4874     -0.00000
     13       7.6011     -0.00000
     14       8.3734     -0.00000
     15       8.7400      0.00000
     16      10.0521      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4776      1.00000
      3      -6.0977      1.00000
      4      -4.2194      1.00000
      5      -1.7622      1.00000
      6       0.9000      1.00000
      7       3.9558     -0.00000
      8       6.0182     -0.00000
      9       6.4949     -0.00000
     10       7.2278     -0.00000
     11       7.3176     -0.00000
     12       7.4874     -0.00000
     13       7.6011     -0.00000
     14       8.3734     -0.00000
     15       8.7400      0.00000
     16      10.0606      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4776      1.00000
      3      -6.0977      1.00000
      4      -4.2194      1.00000
      5      -1.7622      1.00000
      6       0.9000      1.00000
      7       3.9558     -0.00000
      8       6.0182     -0.00000
      9       6.4949     -0.00000
     10       7.2278     -0.00000
     11       7.3176     -0.00000
     12       7.4874     -0.00000
     13       7.6011     -0.00000
     14       8.3734     -0.00000
     15       8.7400      0.00000
     16      10.0537      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7567      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7570      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7571      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7566      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2688     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8432      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8446      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8434      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8669      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8773      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2688     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8790      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7181      1.00000
      3      -1.8230      1.00000
      4      -1.8146      1.00000
      5      -0.6836      1.00000
      6      -0.2911      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7747     -0.00005
     10       3.9026     -0.00000
     11       4.7192     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7529     -0.00000
     15       7.1229     -0.00000
     16       8.7150      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7181      1.00000
      3      -1.8230      1.00000
      4      -1.8146      1.00000
      5      -0.6836      1.00000
      6      -0.2911      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7747     -0.00005
     10       3.9026     -0.00000
     11       4.7192     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7529     -0.00000
     15       7.1229     -0.00000
     16       8.6983      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7181      1.00000
      3      -1.8230      1.00000
      4      -1.8146      1.00000
      5      -0.6836      1.00000
      6      -0.2911      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7747     -0.00005
     10       3.9026     -0.00000
     11       4.7192     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7529     -0.00000
     15       7.1229     -0.00000
     16       8.6963      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2468      1.00000
      2      -4.3271      1.00000
      3      -2.9404      1.00000
      4      -1.0861      1.00000
      5       1.1510      1.00000
      6       2.1006      1.00000
      7       2.2633      1.00000
      8       2.9854      0.99870
      9       3.4403     -0.03037
     10       4.2252     -0.00000
     11       4.4854     -0.00000
     12       4.8520     -0.00000
     13       6.2094     -0.00000
     14       6.8504     -0.00000
     15       7.2510     -0.00000
     16       8.6862      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2468      1.00000
      2      -4.3271      1.00000
      3      -2.9404      1.00000
      4      -1.0861      1.00000
      5       1.1510      1.00000
      6       2.1006      1.00000
      7       2.2633      1.00000
      8       2.9854      0.99870
      9       3.4403     -0.03037
     10       4.2252     -0.00000
     11       4.4854     -0.00000
     12       4.8520     -0.00000
     13       6.2094     -0.00000
     14       6.8504     -0.00000
     15       7.2510     -0.00000
     16       8.6930      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2468      1.00000
      2      -4.3271      1.00000
      3      -2.9404      1.00000
      4      -1.0861      1.00000
      5       1.1510      1.00000
      6       2.1006      1.00000
      7       2.2633      1.00000
      8       2.9854      0.99870
      9       3.4403     -0.03037
     10       4.2252     -0.00000
     11       4.4854     -0.00000
     12       4.8520     -0.00000
     13       6.2094     -0.00000
     14       6.8504     -0.00000
     15       7.2510     -0.00000
     16       8.6957      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2263     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2448     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2314     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2321     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2305     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.3989     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8756      1.00000
      2      -0.8606      1.00000
      3      -0.8348      1.00000
      4      -0.0226      1.00000
      5       0.0485      1.00000
      6       0.0622      1.00000
      7       1.0899      1.00000
      8       1.0911      1.00000
      9       1.7910      1.00000
     10       2.6805      1.00209
     11       4.0769     -0.00000
     12       4.1132     -0.00000
     13       5.9719     -0.00000
     14       6.0044     -0.00000
     15       6.0587     -0.00000
     16       8.0133     -0.00000
 Fermi energy:         3.1528600370

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8905      1.00000
      2      -9.9895      1.00000
      3      -8.6227      1.00000
      4      -6.7614      1.00000
      5      -4.3348      1.00000
      6      -1.5916      1.00000
      7       1.6176      1.00000
      8       4.6276     -0.00000
      9       5.4118     -0.00000
     10       7.9275     -0.00000
     11       7.9886     -0.00000
     12      11.8915      0.00000
     13      12.1837      0.00000
     14      16.0649      0.00000
     15      16.1219      0.00000
     16      16.2704      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6820      1.00000
      2      -9.7804      1.00000
      3      -8.4125      1.00000
      4      -6.5495      1.00000
      5      -4.1188      1.00000
      6      -1.3815      1.00000
      7       1.8312      1.00000
      8       4.8104     -0.00000
      9       5.5861     -0.00000
     10       8.0954     -0.00000
     11       8.1536     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1215      0.00000
     15      13.8530      0.00000
     16      14.3247      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6820      1.00000
      2      -9.7804      1.00000
      3      -8.4125      1.00000
      4      -6.5495      1.00000
      5      -4.1188      1.00000
      6      -1.3815      1.00000
      7       1.8312      1.00000
      8       4.8104     -0.00000
      9       5.5861     -0.00000
     10       8.0954     -0.00000
     11       8.1536     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1215      0.00000
     15      13.8530      0.00000
     16      14.3243      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6820      1.00000
      2      -9.7804      1.00000
      3      -8.4125      1.00000
      4      -6.5495      1.00000
      5      -4.1188      1.00000
      6      -1.3815      1.00000
      7       1.8312      1.00000
      8       4.8104     -0.00000
      9       5.5861     -0.00000
     10       8.0954     -0.00000
     11       8.1536     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1215      0.00000
     15      13.8531      0.00000
     16      14.3267      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0565      1.00000
      2      -9.1530      1.00000
      3      -7.7818      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7522      1.00000
      7       2.4576      1.00001
      8       5.3421     -0.00000
      9       6.1040     -0.00000
     10       8.4795     -0.00000
     11       8.6266      0.00000
     12       9.7300      0.00000
     13      10.2724      0.00000
     14      11.3737      0.00000
     15      12.5076      0.00000
     16      12.8338      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0565      1.00000
      2      -9.1530      1.00000
      3      -7.7818      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7522      1.00000
      7       2.4576      1.00001
      8       5.3421     -0.00000
      9       6.1040     -0.00000
     10       8.4795     -0.00000
     11       8.6266      0.00000
     12       9.7300      0.00000
     13      10.2724      0.00000
     14      11.3737      0.00000
     15      12.5032      0.00000
     16      12.7692      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0565      1.00000
      2      -9.1530      1.00000
      3      -7.7818      1.00000
      4      -5.9139      1.00000
      5      -3.4719      1.00000
      6      -0.7522      1.00000
      7       2.4576      1.00001
      8       5.3421     -0.00000
      9       6.1040     -0.00000
     10       8.4795     -0.00000
     11       8.6266      0.00000
     12       9.7300      0.00000
     13      10.2724      0.00000
     14      11.3737      0.00000
     15      12.5050      0.00000
     16      12.8058      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0134      1.00000
      2      -8.1062      1.00000
      3      -6.7296      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2856      1.00000
      7       3.4154     -0.03436
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8655     -0.00000
     11       7.0507     -0.00000
     12       8.0619     -0.00000
     13       9.4028      0.00000
     14       9.5803      0.00000
     15       9.8048      0.00000
     16      11.5913      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0134      1.00000
      2      -8.1062      1.00000
      3      -6.7296      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2856      1.00000
      7       3.4154     -0.03436
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8655     -0.00000
     11       7.0507     -0.00000
     12       8.0619     -0.00000
     13       9.4028      0.00000
     14       9.5803      0.00000
     15       9.8048      0.00000
     16      11.6070      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0134      1.00000
      2      -8.1062      1.00000
      3      -6.7296      1.00000
      4      -4.8546      1.00000
      5      -2.4000      1.00000
      6       0.2856      1.00000
      7       3.4154     -0.03436
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8655     -0.00000
     11       7.0507     -0.00000
     12       8.0619     -0.00000
     13       9.4028      0.00000
     14       9.5803      0.00000
     15       9.8048      0.00000
     16      11.5965      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5505      1.00000
      2      -6.6378      1.00000
      3      -5.2542      1.00000
      4      -3.3754      1.00000
      5      -0.9339      1.00000
      6       1.5757      1.00000
      7       2.5478      1.00008
      8       3.5245     -0.01228
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5226     -0.00000
     12       7.6501     -0.00000
     13       8.2130     -0.00000
     14       8.7117      0.00000
     15      10.5150      0.00000
     16      10.8267      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5505      1.00000
      2      -6.6378      1.00000
      3      -5.2542      1.00000
      4      -3.3754      1.00000
      5      -0.9339      1.00000
      6       1.5757      1.00000
      7       2.5478      1.00008
      8       3.5245     -0.01228
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5226     -0.00000
     12       7.6501     -0.00000
     13       8.2130     -0.00000
     14       8.7117      0.00000
     15      10.5162      0.00000
     16      10.8293      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5505      1.00000
      2      -6.6378      1.00000
      3      -5.2542      1.00000
      4      -3.3754      1.00000
      5      -0.9339      1.00000
      6       1.5757      1.00000
      7       2.5478      1.00008
      8       3.5245     -0.01228
      9       4.7984     -0.00000
     10       5.1318     -0.00000
     11       6.5226     -0.00000
     12       7.6501     -0.00000
     13       8.2130     -0.00000
     14       8.7117      0.00000
     15      10.5159      0.00000
     16      10.8290      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6641      1.00000
      2      -4.7452      1.00000
      3      -3.3607      1.00000
      4      -1.5222      1.00000
      5      -0.6668      1.00000
      6       0.1166      1.00000
      7       1.1140      1.00000
      8       2.0151      1.00000
      9       3.6470     -0.00131
     10       3.7429     -0.00012
     11       5.9340     -0.00000
     12       6.7077     -0.00000
     13       8.2342     -0.00000
     14       9.1947      0.00000
     15       9.7527      0.00000
     16      10.4283      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6641      1.00000
      2      -4.7452      1.00000
      3      -3.3607      1.00000
      4      -1.5222      1.00000
      5      -0.6668      1.00000
      6       0.1166      1.00000
      7       1.1140      1.00000
      8       2.0151      1.00000
      9       3.6470     -0.00131
     10       3.7429     -0.00012
     11       5.9340     -0.00000
     12       6.7077     -0.00000
     13       8.2342     -0.00000
     14       9.1947      0.00000
     15       9.7527      0.00000
     16      10.4557      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6641      1.00000
      2      -4.7452      1.00000
      3      -3.3607      1.00000
      4      -1.5222      1.00000
      5      -0.6668      1.00000
      6       0.1166      1.00000
      7       1.1140      1.00000
      8       2.0151      1.00000
      9       3.6470     -0.00131
     10       3.7429     -0.00012
     11       5.9340     -0.00000
     12       6.7077     -0.00000
     13       8.2342     -0.00000
     14       9.1947      0.00000
     15       9.7527      0.00000
     16      10.4590      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3440      1.00000
      3      -2.4484      1.00000
      4      -2.4349      1.00000
      5      -1.2977      1.00000
      6      -0.9042      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3861     -0.03489
     10       3.5254     -0.01213
     11       5.6747     -0.00000
     12       6.0167     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2373      0.00000
     16      10.5468      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3440      1.00000
      3      -2.4484      1.00000
      4      -2.4349      1.00000
      5      -1.2977      1.00000
      6      -0.9042      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3861     -0.03489
     10       3.5254     -0.01213
     11       5.6747     -0.00000
     12       6.0167     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2347      0.00000
     16      10.5377      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3440      1.00000
      3      -2.4484      1.00000
      4      -2.4349      1.00000
      5      -1.2977      1.00000
      6      -0.9042      1.00000
      7       0.6386      1.00000
      8       1.3810      1.00000
      9       3.3861     -0.03489
     10       3.5254     -0.01213
     11       5.6747     -0.00000
     12       6.0167     -0.00000
     13       8.4065     -0.00000
     14       8.8613      0.00000
     15      10.2362      0.00000
     16      10.5372      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2651      1.00000
      2      -9.3622      1.00000
      3      -7.9921      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2517      1.00000
      8       5.1694     -0.00000
      9       5.9328     -0.00000
     10       8.4202     -0.00000
     11       8.4619     -0.00000
     12      11.4296      0.00000
     13      11.4442      0.00000
     14      11.8850      0.00000
     15      12.0144      0.00000
     16      12.6430      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2651      1.00000
      2      -9.3622      1.00000
      3      -7.9921      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2517      1.00000
      8       5.1694     -0.00000
      9       5.9328     -0.00000
     10       8.4202     -0.00000
     11       8.4619     -0.00000
     12      11.4296      0.00000
     13      11.4442      0.00000
     14      11.8853      0.00000
     15      12.0151      0.00000
     16      12.6349      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2651      1.00000
      2      -9.3622      1.00000
      3      -7.9921      1.00000
      4      -6.1258      1.00000
      5      -3.6873      1.00000
      6      -0.9617      1.00000
      7       2.2517      1.00000
      8       5.1694     -0.00000
      9       5.9328     -0.00000
     10       8.4202     -0.00000
     11       8.4619     -0.00000
     12      11.4296      0.00000
     13      11.4442      0.00000
     14      11.8849      0.00000
     15      12.0199      0.00000
     16      12.7028      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85645
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85645
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85645
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85645
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85645
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7178      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4308      1.00000
      2      -8.5252      1.00000
      3      -7.1507      1.00000
      4      -5.2782      1.00000
      5      -2.8275      1.00000
      6      -0.1264      1.00000
      7       3.0574      0.85645
      8       5.8213     -0.00000
      9       6.6013     -0.00000
     10       7.8596     -0.00000
     11       8.5859     -0.00000
     12       9.0028      0.00000
     13       9.4207      0.00000
     14       9.8325      0.00000
     15      10.1819      0.00000
     16      10.7179      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5965      0.00000
     16      10.0472      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8985      0.00000
     15       9.5967      0.00000
     16      10.1111      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5965      0.00000
     16      10.0764      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5966      0.00000
     16      10.0755      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5978      0.00000
     16      10.2688      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1780      1.00000
      2      -7.2677      1.00000
      3      -5.8869      1.00000
      4      -4.0081      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8116     -0.00002
      8       4.6815     -0.00000
      9       5.4032     -0.00000
     10       6.5068     -0.00000
     11       7.0858     -0.00000
     12       7.6971     -0.00000
     13       8.1794     -0.00000
     14       8.8984      0.00000
     15       9.5966      0.00000
     16      10.1100      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1017      0.00000
     16       9.1239      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1239      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3271     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1237      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1237      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1237      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5037      1.00000
      2      -5.5871      1.00000
      3      -4.2007      1.00000
      4      -2.3287      1.00000
      5       0.0169      1.00000
      6       1.0012      1.00000
      7       1.9767      1.00000
      8       2.9859      0.99855
      9       3.5202     -0.01296
     10       5.1937     -0.00000
     11       5.9030     -0.00000
     12       7.3270     -0.00000
     13       7.9804     -0.00000
     14       8.6510      0.00000
     15       9.1016      0.00000
     16       9.1237      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6946      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6973      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6975      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6952      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.6945      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4047      1.00000
      2      -3.4853      1.00000
      3      -2.1174      1.00000
      4      -1.8930      1.00000
      5      -1.0420      1.00000
      6      -0.3615      1.00000
      7       0.6407      1.00000
      8       2.2894      1.00000
      9       2.6641      1.00149
     10       4.7335     -0.00000
     11       4.9053     -0.00000
     12       7.0258     -0.00000
     13       7.4890     -0.00000
     14       8.0160     -0.00000
     15       8.8382      0.00000
     16       9.7028      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4776      1.00000
      3      -6.0977      1.00000
      4      -4.2194      1.00000
      5      -1.7622      1.00000
      6       0.9000      1.00000
      7       3.9558     -0.00000
      8       6.0182     -0.00000
      9       6.4949     -0.00000
     10       7.2278     -0.00000
     11       7.3176     -0.00000
     12       7.4874     -0.00000
     13       7.6011     -0.00000
     14       8.3734     -0.00000
     15       8.7400      0.00000
     16      10.0567      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4776      1.00000
      3      -6.0977      1.00000
      4      -4.2194      1.00000
      5      -1.7622      1.00000
      6       0.9000      1.00000
      7       3.9558     -0.00000
      8       6.0182     -0.00000
      9       6.4949     -0.00000
     10       7.2278     -0.00000
     11       7.3176     -0.00000
     12       7.4874     -0.00000
     13       7.6011     -0.00000
     14       8.3734     -0.00000
     15       8.7400      0.00000
     16      10.0493      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4776      1.00000
      3      -6.0977      1.00000
      4      -4.2194      1.00000
      5      -1.7622      1.00000
      6       0.9000      1.00000
      7       3.9558     -0.00000
      8       6.0182     -0.00000
      9       6.4949     -0.00000
     10       7.2278     -0.00000
     11       7.3176     -0.00000
     12       7.4874     -0.00000
     13       7.6011     -0.00000
     14       8.3734     -0.00000
     15       8.7400      0.00000
     16      10.0588      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7567      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7569      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7567      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9234      1.00000
      2      -6.0083      1.00000
      3      -4.6223      1.00000
      4      -2.7436      1.00000
      5      -0.3138      1.00000
      6       2.1607      1.00000
      7       3.1366      0.57016
      8       4.0993     -0.00000
      9       5.0884     -0.00000
     10       5.3547     -0.00000
     11       5.9061     -0.00000
     12       6.4792     -0.00000
     13       7.0124     -0.00000
     14       7.7597     -0.00000
     15       8.4136     -0.00000
     16       8.7570      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8468      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2688     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8318      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8451      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2689     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8507      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2688     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8577      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0362      1.00000
      2      -4.1162      1.00000
      3      -2.7323      1.00000
      4      -0.9043      1.00000
      5      -0.0503      1.00000
      6       0.7186      1.00000
      7       1.7047      1.00000
      8       2.5868      1.00024
      9       4.0702     -0.00000
     10       4.2688     -0.00000
     11       4.8686     -0.00000
     12       5.7273     -0.00000
     13       6.6241     -0.00000
     14       7.3952     -0.00000
     15       7.5227     -0.00000
     16       8.8721      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7181      1.00000
      3      -1.8230      1.00000
      4      -1.8146      1.00000
      5      -0.6836      1.00000
      6      -0.2911      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7747     -0.00005
     10       3.9026     -0.00000
     11       4.7192     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7529     -0.00000
     15       7.1229     -0.00000
     16       8.6771      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7181      1.00000
      3      -1.8230      1.00000
      4      -1.8146      1.00000
      5      -0.6836      1.00000
      6      -0.2911      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7747     -0.00005
     10       3.9026     -0.00000
     11       4.7192     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7529     -0.00000
     15       7.1229     -0.00000
     16       8.6762      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7181      1.00000
      3      -1.8230      1.00000
      4      -1.8146      1.00000
      5      -0.6836      1.00000
      6      -0.2911      1.00000
      7       1.2390      1.00000
      8       1.9728      1.00000
      9       3.7747     -0.00005
     10       3.9026     -0.00000
     11       4.7192     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7529     -0.00000
     15       7.1229     -0.00000
     16       8.6870      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2468      1.00000
      2      -4.3271      1.00000
      3      -2.9404      1.00000
      4      -1.0861      1.00000
      5       1.1510      1.00000
      6       2.1006      1.00000
      7       2.2633      1.00000
      8       2.9854      0.99870
      9       3.4403     -0.03037
     10       4.2252     -0.00000
     11       4.4854     -0.00000
     12       4.8520     -0.00000
     13       6.2094     -0.00000
     14       6.8504     -0.00000
     15       7.2510     -0.00000
     16       8.6892      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2468      1.00000
      2      -4.3271      1.00000
      3      -2.9404      1.00000
      4      -1.0861      1.00000
      5       1.1510      1.00000
      6       2.1006      1.00000
      7       2.2633      1.00000
      8       2.9854      0.99870
      9       3.4403     -0.03037
     10       4.2252     -0.00000
     11       4.4854     -0.00000
     12       4.8520     -0.00000
     13       6.2094     -0.00000
     14       6.8504     -0.00000
     15       7.2510     -0.00000
     16       8.6865      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2468      1.00000
      2      -4.3271      1.00000
      3      -2.9404      1.00000
      4      -1.0861      1.00000
      5       1.1510      1.00000
      6       2.1006      1.00000
      7       2.2633      1.00000
      8       2.9854      0.99870
      9       3.4403     -0.03037
     10       4.2252     -0.00000
     11       4.4854     -0.00000
     12       4.8520     -0.00000
     13       6.2094     -0.00000
     14       6.8504     -0.00000
     15       7.2510     -0.00000
     16       8.6884      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38726
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2297     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2378     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2350     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38725
     11       4.1324     -0.00000
     12       4.6573     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2526     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38726
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2337     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1485      1.00000
      2      -2.2328      1.00000
      3      -0.8800      1.00000
      4      -0.6476      1.00000
      5       0.1814      1.00000
      6       0.8197      1.00000
      7       1.7565      1.00000
      8       1.8301      1.00000
      9       2.5541      1.00010
     10       3.1794      0.38726
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3677     -0.00000
     16       8.2489     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8756      1.00000
      2      -0.8606      1.00000
      3      -0.8348      1.00000
      4      -0.0226      1.00000
      5       0.0485      1.00000
      6       0.0622      1.00000
      7       1.0899      1.00000
      8       1.0911      1.00000
      9       1.7910      1.00000
     10       2.6805      1.00209
     11       4.0769     -0.00000
     12       4.1132     -0.00000
     13       5.9719     -0.00000
     14       6.0044     -0.00000
     15       6.0587     -0.00000
     16       8.0152     -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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  23.496   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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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
115.779 -61.841  -0.000  -0.082  -0.000   0.000  -0.023   0.000
-61.841  33.031   0.000   0.034   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.082   0.034   0.000   1.744   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000   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    421.7639: real time    424.6947
    FORNL :  cpu time      0.5018: real time      0.5070
    FORCOR:  cpu time      1.9670: real time      1.9777
    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
 -----------------------------------------------------------------------------------------------
   -.526E-06 -.210E-05 0.183E+03   0.433E-13 0.274E-13 -.182E+03   0.125E-06 0.178E-05 -.125E+01
   0.382E-05 0.310E-05 0.912E+02   -.266E-14 -.136E-14 -.913E+02   -.326E-05 -.350E-05 0.141E+00
   0.128E-05 0.376E-05 -.685E+00   -.139E-12 -.811E-13 0.678E+00   -.246E-05 -.517E-05 0.887E-02
   0.191E-05 0.892E-06 -.925E+02   0.131E-12 0.807E-13 0.924E+02   -.166E-05 -.257E-05 0.974E-01
   -.461E-05 -.595E-05 -.181E+03   -.424E-13 -.224E-13 0.180E+03   0.535E-05 0.679E-05 0.998E+00
 -----------------------------------------------------------------------------------------------
   0.228E-05 -.766E-08 -.105E-02   -.971E-14 0.313E-14 0.000E+00   -.191E-05 -.267E-05 -.730E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001      0.000000     -0.120862
      0.00000      0.00000      2.33311         0.000001      0.000000      0.107329
      1.42873      0.82488      4.65572        -0.000001     -0.000001      0.003516
      2.85746      1.64976      6.98080         0.000001     -0.000001      0.004140
      0.00000      0.00000      9.36639        -0.000000      0.000001      0.005878
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000003     -0.008978


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90216375 eV

  energy  without entropy=      -13.89677125  energy(sigma->0) =      -13.90036625
 
 d Force = 0.5526971E-05[ 0.435E-05, 0.670E-05]  d Energy = 0.3608890E-05 0.192E-05
 d Force = 0.7473672E-01[ 0.747E-01, 0.747E-01]  d Ewald  = 0.7473672E-01-0.225E-10


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


    POTLOK:  cpu time      1.9673: real time      1.9781


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.309E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   5.0633
 eigenvalue spectrum of G is  6.6302  3.4965


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


    WAVPRE:  cpu time      0.0060: real time      0.0662
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9686: real time      1.9794
    EDDIAG:  cpu time    591.3492: real time    596.0736
    CHARGE:  cpu time      0.2641: real time      0.2661
 writing wavefunctions
     LOOP+:  cpu time   2787.4090: real time   2810.0806


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


    POTLOK:  cpu time      0.7256: real time      0.7310
    SETDIJ:  cpu time      1.2501: real time      1.2553
    TRIAL :  cpu time    584.3654: real time    589.1944
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    586.6205: real time    591.4631

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1598836E-03  (-0.5736931E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009005 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.95339816
  -exchange      EXHF   =        33.26294685
  -V(xc)+E(xc)   XCENC  =       -83.54936906
  PAW double counting   =    100972.45716328  -100871.49847035
  entropy T*S    EENTRO =        -0.00533135
  eigenvalues    EBANDS =       -35.28127034
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90200300 eV

  energy without entropy =      -13.89667165  energy(sigma->0) =      -13.90022588
  exchange ACFDT corr.  =        -0.00515723  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7243: real time      0.7297
    SETDIJ:  cpu time      1.2503: real time      1.2560
    TRIAL :  cpu time    584.5953: real time    589.4367
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2660: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    586.8405: real time    591.6950

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3942721E-04  (-0.4711118E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009022 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.91227962
  -exchange      EXHF   =        33.26282641
  -V(xc)+E(xc)   XCENC  =       -83.54940500
  PAW double counting   =    100970.44132008  -100869.48263954
  entropy T*S    EENTRO =        -0.00532778
  eigenvalues    EBANDS =       -35.32218505
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90196357 eV

  energy without entropy =      -13.89663580  energy(sigma->0) =      -13.90018765
  exchange ACFDT corr.  =        -0.00515512  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7305
    SETDIJ:  cpu time      1.2503: real time      1.2559
    TRIAL :  cpu time    585.4328: real time    590.2700
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2653: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    587.6780: real time    592.5283

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1855947E-03  (-0.2655293E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009038 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.92478186
  -exchange      EXHF   =        33.26289607
  -V(xc)+E(xc)   XCENC  =       -83.54938020
  PAW double counting   =    100969.34338746  -100868.38469747
  entropy T*S    EENTRO =        -0.00532680
  eigenvalues    EBANDS =       -35.30997589
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214917 eV

  energy without entropy =      -13.89682237  energy(sigma->0) =      -13.90037357
  exchange ACFDT corr.  =        -0.00515053  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7300
    SETDIJ:  cpu time      1.2500: real time      1.2551
    TRIAL :  cpu time    583.7811: real time    588.6142
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    586.0267: real time    590.8724

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1895358E-05  (-0.9816468E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009046 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.94252375
  -exchange      EXHF   =        33.26293911
  -V(xc)+E(xc)   XCENC  =       -83.54936039
  PAW double counting   =    100968.00991259  -100867.05120684
  entropy T*S    EENTRO =        -0.00532629
  eigenvalues    EBANDS =       -35.29231169
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214727 eV

  energy without entropy =      -13.89682099  energy(sigma->0) =      -13.90037185
  exchange ACFDT corr.  =        -0.00515167  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7305
    SETDIJ:  cpu time      1.2493: real time      1.2545
    TRIAL :  cpu time    585.0262: real time    589.8285
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    587.2709: real time    592.0860

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2498113E-05  (-0.6203478E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009047 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.94209771
  -exchange      EXHF   =        33.26290128
  -V(xc)+E(xc)   XCENC  =       -83.54936816
  PAW double counting   =    100967.10917034  -100866.15046944
  entropy T*S    EENTRO =        -0.00532459
  eigenvalues    EBANDS =       -35.29269029
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214977 eV

  energy without entropy =      -13.89682518  energy(sigma->0) =      -13.90037491
  exchange ACFDT corr.  =        -0.00515113  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7246: real time      0.7301
    SETDIJ:  cpu time      1.2480: real time      1.2531
    TRIAL :  cpu time    584.8762: real time    589.6884
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    587.1195: real time    591.9442

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2618395E-04  ( 0.3571795E-06)
 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  =       402.08434625
  -Hartree energ DENC   =      -699.93969285
  -exchange      EXHF   =        33.26287496
  -V(xc)+E(xc)   XCENC  =       -83.54937578
  PAW double counting   =    100967.47348970  -100866.51479835
  entropy T*S    EENTRO =        -0.00532307
  eigenvalues    EBANDS =       -35.29507954
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217596 eV

  energy without entropy =      -13.89685289  energy(sigma->0) =      -13.90040160
  exchange ACFDT corr.  =        -0.00515024  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7301
    SETDIJ:  cpu time      1.2459: real time      1.2510
    TRIAL :  cpu time    585.9729: real time    590.7853
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    588.2133: real time    593.0383

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1643944E-05  (-0.1527854E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009034 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.93331307
  -exchange      EXHF   =        33.26283762
  -V(xc)+E(xc)   XCENC  =       -83.54938682
  PAW double counting   =    100968.28986550  -100867.33117148
  entropy T*S    EENTRO =        -0.00532222
  eigenvalues    EBANDS =       -35.30141349
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217431 eV

  energy without entropy =      -13.89685210  energy(sigma->0) =      -13.90040024
  exchange ACFDT corr.  =        -0.00514791  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     15(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7308
    SETDIJ:  cpu time      1.2479: real time      1.2531
    TRIAL :  cpu time    586.8761: real time    591.6875
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    590.5771: real time    595.2991
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time   1179.6956: real time   1189.2422

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1093678E-05  (-0.8031695E-05)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009027 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08434625
  -Hartree energ DENC   =      -699.93054009
  -exchange      EXHF   =        33.26282675
  -V(xc)+E(xc)   XCENC  =       -83.54939308
  PAW double counting   =    100969.21408548  -100868.25539119
  entropy T*S    EENTRO =        -0.00532129
  eigenvalues    EBANDS =       -35.30415884
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217541 eV

  energy without entropy =      -13.89685412  energy(sigma->0) =      -13.90040164
  exchange ACFDT corr.  =        -0.00514704  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0056


 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 -69.7833       3 -69.7816       4 -69.7794       5 -69.8969
 
 
 
 E-fermi :   3.1528     XC(G=0):  -5.1204     alpha+bet : -8.9779

 Fermi energy:         3.1528269392

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8917      1.00000
      2      -9.9903      1.00000
      3      -8.6225      1.00000
      4      -6.7608      1.00000
      5      -4.3356      1.00000
      6      -1.5921      1.00000
      7       1.6168      1.00000
      8       4.6278     -0.00000
      9       5.4121     -0.00000
     10       7.9275     -0.00000
     11       7.9887     -0.00000
     12      11.8916      0.00000
     13      12.1836      0.00000
     14      16.0641      0.00000
     15      16.0878      0.00000
     16      16.1253      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7813      1.00000
      3      -8.4123      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8106     -0.00000
      9       5.5864     -0.00000
     10       8.0955     -0.00000
     11       8.1537     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1202      0.00000
     15      13.8522      0.00000
     16      14.3262      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7813      1.00000
      3      -8.4123      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8106     -0.00000
      9       5.5864     -0.00000
     10       8.0955     -0.00000
     11       8.1537     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1202      0.00000
     15      13.8523      0.00000
     16      14.3495      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7813      1.00000
      3      -8.4123      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8106     -0.00000
      9       5.5864     -0.00000
     10       8.0955     -0.00000
     11       8.1537     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1202      0.00000
     15      13.8523      0.00000
     16      14.3260      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1538      1.00000
      3      -7.7817      1.00000
      4      -5.9133      1.00000
      5      -3.4728      1.00000
      6      -0.7527      1.00000
      7       2.4568      1.00001
      8       5.3422     -0.00000
      9       6.1043     -0.00000
     10       8.4795     -0.00000
     11       8.6267      0.00000
     12       9.7287      0.00000
     13      10.2718      0.00000
     14      11.3741      0.00000
     15      12.5030      0.00000
     16      12.7694      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1538      1.00000
      3      -7.7817      1.00000
      4      -5.9133      1.00000
      5      -3.4728      1.00000
      6      -0.7527      1.00000
      7       2.4568      1.00001
      8       5.3422     -0.00000
      9       6.1043     -0.00000
     10       8.4795     -0.00000
     11       8.6267      0.00000
     12       9.7287      0.00000
     13      10.2718      0.00000
     14      11.3741      0.00000
     15      12.5042      0.00000
     16      12.7911      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1538      1.00000
      3      -7.7817      1.00000
      4      -5.9133      1.00000
      5      -3.4728      1.00000
      6      -0.7527      1.00000
      7       2.4568      1.00001
      8       5.3422     -0.00000
      9       6.1043     -0.00000
     10       8.4795     -0.00000
     11       8.6267      0.00000
     12       9.7287      0.00000
     13      10.2718      0.00000
     14      11.3741      0.00000
     15      12.5051      0.00000
     16      12.8337      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1071      1.00000
      3      -6.7294      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2851      1.00000
      7       3.4148     -0.03445
      8       5.6443     -0.00000
      9       6.5426     -0.00000
     10       6.8645     -0.00000
     11       7.0511     -0.00000
     12       8.0622     -0.00000
     13       9.4032      0.00000
     14       9.5805      0.00000
     15       9.8048      0.00000
     16      11.5890      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1071      1.00000
      3      -6.7294      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2851      1.00000
      7       3.4148     -0.03445
      8       5.6443     -0.00000
      9       6.5426     -0.00000
     10       6.8645     -0.00000
     11       7.0511     -0.00000
     12       8.0622     -0.00000
     13       9.4032      0.00000
     14       9.5805      0.00000
     15       9.8048      0.00000
     16      11.5932      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1071      1.00000
      3      -6.7294      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2851      1.00000
      7       3.4148     -0.03445
      8       5.6443     -0.00000
      9       6.5426     -0.00000
     10       6.8645     -0.00000
     11       7.0511     -0.00000
     12       8.0622     -0.00000
     13       9.4032      0.00000
     14       9.5805      0.00000
     15       9.8048      0.00000
     16      11.6079      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6387      1.00000
      3      -5.2540      1.00000
      4      -3.3748      1.00000
      5      -0.9347      1.00000
      6       1.5752      1.00000
      7       2.5471      1.00008
      8       3.5234     -0.01243
      9       4.7987     -0.00000
     10       5.1313     -0.00000
     11       6.5233     -0.00000
     12       7.6503     -0.00000
     13       8.2132     -0.00000
     14       8.7109      0.00000
     15      10.5153      0.00000
     16      10.8264      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6387      1.00000
      3      -5.2540      1.00000
      4      -3.3748      1.00000
      5      -0.9347      1.00000
      6       1.5752      1.00000
      7       2.5471      1.00008
      8       3.5234     -0.01243
      9       4.7987     -0.00000
     10       5.1313     -0.00000
     11       6.5233     -0.00000
     12       7.6503     -0.00000
     13       8.2132     -0.00000
     14       8.7109      0.00000
     15      10.5153      0.00000
     16      10.8255      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6387      1.00000
      3      -5.2540      1.00000
      4      -3.3748      1.00000
      5      -0.9347      1.00000
      6       1.5752      1.00000
      7       2.5471      1.00008
      8       3.5234     -0.01243
      9       4.7987     -0.00000
     10       5.1313     -0.00000
     11       6.5233     -0.00000
     12       7.6503     -0.00000
     13       8.2132     -0.00000
     14       8.7109      0.00000
     15      10.5152      0.00000
     16      10.8263      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7461      1.00000
      3      -3.3605      1.00000
      4      -1.5217      1.00000
      5      -0.6679      1.00000
      6       0.1159      1.00000
      7       1.1136      1.00000
      8       2.0150      1.00000
      9       3.6478     -0.00130
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.5503      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7461      1.00000
      3      -3.3605      1.00000
      4      -1.5217      1.00000
      5      -0.6679      1.00000
      6       0.1159      1.00000
      7       1.1136      1.00000
      8       2.0150      1.00000
      9       3.6478     -0.00130
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4025      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7461      1.00000
      3      -3.3605      1.00000
      4      -1.5217      1.00000
      5      -0.6679      1.00000
      6       0.1159      1.00000
      7       1.1136      1.00000
      8       2.0150      1.00000
      9       3.6478     -0.00130
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4170      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3448      1.00000
      3      -2.4498      1.00000
      4      -2.4354      1.00000
      5      -1.2973      1.00000
      6      -0.9040      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3857     -0.03486
     10       3.5244     -0.01223
     11       5.6745     -0.00000
     12       6.0162     -0.00000
     13       8.4059     -0.00000
     14       8.8610      0.00000
     15      10.2334      0.00000
     16      10.5365      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3448      1.00000
      3      -2.4498      1.00000
      4      -2.4354      1.00000
      5      -1.2973      1.00000
      6      -0.9040      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3857     -0.03486
     10       3.5244     -0.01223
     11       5.6745     -0.00000
     12       6.0162     -0.00000
     13       8.4059     -0.00000
     14       8.8610      0.00000
     15      10.2337      0.00000
     16      10.5371      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3448      1.00000
      3      -2.4498      1.00000
      4      -2.4354      1.00000
      5      -1.2973      1.00000
      6      -0.9040      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3857     -0.03486
     10       3.5244     -0.01223
     11       5.6745     -0.00000
     12       6.0162     -0.00000
     13       8.4059     -0.00000
     14       8.8610      0.00000
     15      10.2334      0.00000
     16      10.5364      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3630      1.00000
      3      -7.9920      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9622      1.00000
      7       2.2508      1.00000
      8       5.1696     -0.00000
      9       5.9331     -0.00000
     10       8.4202     -0.00000
     11       8.4620     -0.00000
     12      11.4276      0.00000
     13      11.4436      0.00000
     14      11.8852      0.00000
     15      12.0129      0.00000
     16      12.6498      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3630      1.00000
      3      -7.9920      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9622      1.00000
      7       2.2508      1.00000
      8       5.1696     -0.00000
      9       5.9331     -0.00000
     10       8.4202     -0.00000
     11       8.4620     -0.00000
     12      11.4276      0.00000
     13      11.4438      0.00000
     14      11.8854      0.00000
     15      12.0129      0.00000
     16      12.6425      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3630      1.00000
      3      -7.9920      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9622      1.00000
      7       2.2508      1.00000
      8       5.1696     -0.00000
      9       5.9331     -0.00000
     10       8.4202     -0.00000
     11       8.4620     -0.00000
     12      11.4276      0.00000
     13      11.4435      0.00000
     14      11.8854      0.00000
     15      12.0137      0.00000
     16      12.6506      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85904
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7178      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85904
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7176      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85904
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7177      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85904
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7176      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85904
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7178      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85904
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7176      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5960      0.00000
     16      10.1070      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5959      0.00000
     16      10.0404      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8977      0.00000
     15       9.5967      0.00000
     16      10.2384      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8979      0.00000
     15       9.5962      0.00000
     16      10.2276      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5959      0.00000
     16      10.0499      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8977      0.00000
     15       9.6340      0.00000
     16      10.1154      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99891
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1242      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1239      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1240      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1007      0.00000
     16       9.1239      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6970      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.7029      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8371      0.00000
     16       9.6995      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6948      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6946      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.7003      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3883      1.00000
      2      -7.4785      1.00000
      3      -6.0975      1.00000
      4      -4.2189      1.00000
      5      -1.7630      1.00000
      6       0.8995      1.00000
      7       3.9552     -0.00000
      8       6.0174     -0.00000
      9       6.4939     -0.00000
     10       7.2271     -0.00000
     11       7.3180     -0.00000
     12       7.4855     -0.00000
     13       7.6015     -0.00000
     14       8.3743     -0.00000
     15       8.7401      0.00000
     16      10.0516      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3883      1.00000
      2      -7.4785      1.00000
      3      -6.0975      1.00000
      4      -4.2189      1.00000
      5      -1.7630      1.00000
      6       0.8995      1.00000
      7       3.9552     -0.00000
      8       6.0174     -0.00000
      9       6.4939     -0.00000
     10       7.2271     -0.00000
     11       7.3180     -0.00000
     12       7.4855     -0.00000
     13       7.6015     -0.00000
     14       8.3743     -0.00000
     15       8.7401      0.00000
     16      10.0600      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3883      1.00000
      2      -7.4785      1.00000
      3      -6.0975      1.00000
      4      -4.2189      1.00000
      5      -1.7630      1.00000
      6       0.8995      1.00000
      7       3.9552     -0.00000
      8       6.0174     -0.00000
      9       6.4939     -0.00000
     10       7.2271     -0.00000
     11       7.3180     -0.00000
     12       7.4855     -0.00000
     13       7.6015     -0.00000
     14       8.3743     -0.00000
     15       8.7401      0.00000
     16      10.0541      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7569      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7572      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7570      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7569      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7573      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7569      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8416      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8452      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8433      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8655      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8760      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8774      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7187      1.00000
      3      -1.8239      1.00000
      4      -1.8156      1.00000
      5      -0.6831      1.00000
      6      -0.2909      1.00000
      7       1.2398      1.00000
      8       1.9732      1.00000
      9       3.7738     -0.00005
     10       3.9020     -0.00000
     11       4.7185     -0.00000
     12       5.7536     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1234     -0.00000
     16       8.7099      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7187      1.00000
      3      -1.8239      1.00000
      4      -1.8156      1.00000
      5      -0.6831      1.00000
      6      -0.2909      1.00000
      7       1.2398      1.00000
      8       1.9732      1.00000
      9       3.7738     -0.00005
     10       3.9020     -0.00000
     11       4.7185     -0.00000
     12       5.7536     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1234     -0.00000
     16       8.6954      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7187      1.00000
      3      -1.8239      1.00000
      4      -1.8156      1.00000
      5      -0.6831      1.00000
      6      -0.2909      1.00000
      7       1.2398      1.00000
      8       1.9732      1.00000
      9       3.7738     -0.00005
     10       3.9020     -0.00000
     11       4.7185     -0.00000
     12       5.7536     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1234     -0.00000
     16       8.6937      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3279      1.00000
      3      -2.9401      1.00000
      4      -1.0855      1.00000
      5       1.1501      1.00000
      6       2.0991      1.00000
      7       2.2631      1.00000
      8       2.9850      0.99925
      9       3.4387     -0.03055
     10       4.2257     -0.00000
     11       4.4851     -0.00000
     12       4.8522     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2508     -0.00000
     16       8.6853      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3279      1.00000
      3      -2.9401      1.00000
      4      -1.0855      1.00000
      5       1.1501      1.00000
      6       2.0991      1.00000
      7       2.2631      1.00000
      8       2.9850      0.99925
      9       3.4387     -0.03055
     10       4.2257     -0.00000
     11       4.4851     -0.00000
     12       4.8522     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2508     -0.00000
     16       8.6918      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3279      1.00000
      3      -2.9401      1.00000
      4      -1.0855      1.00000
      5       1.1501      1.00000
      6       2.0991      1.00000
      7       2.2631      1.00000
      8       2.9850      0.99924
      9       3.4387     -0.03055
     10       4.2257     -0.00000
     11       4.4851     -0.00000
     12       4.8522     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2508     -0.00000
     16       8.6941      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2258     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2411     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2304     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2304     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2294     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.3936     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8789      1.00000
      2      -0.8597      1.00000
      3      -0.8357      1.00000
      4      -0.0226      1.00000
      5       0.0437      1.00000
      6       0.0638      1.00000
      7       1.0873      1.00000
      8       1.0951      1.00000
      9       1.7913      1.00000
     10       2.6809      1.00212
     11       4.0871     -0.00000
     12       4.1044     -0.00000
     13       5.9733     -0.00000
     14       6.0018     -0.00000
     15       6.0577     -0.00000
     16       8.0136     -0.00000
 Fermi energy:         3.1528269392

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8917      1.00000
      2      -9.9903      1.00000
      3      -8.6225      1.00000
      4      -6.7608      1.00000
      5      -4.3356      1.00000
      6      -1.5921      1.00000
      7       1.6168      1.00000
      8       4.6278     -0.00000
      9       5.4121     -0.00000
     10       7.9275     -0.00000
     11       7.9887     -0.00000
     12      11.8916      0.00000
     13      12.1836      0.00000
     14      16.0634      0.00000
     15      16.1084      0.00000
     16      16.2486      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7813      1.00000
      3      -8.4123      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8106     -0.00000
      9       5.5864     -0.00000
     10       8.0955     -0.00000
     11       8.1537     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1202      0.00000
     15      13.8523      0.00000
     16      14.3235      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7813      1.00000
      3      -8.4123      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8106     -0.00000
      9       5.5864     -0.00000
     10       8.0955     -0.00000
     11       8.1537     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1202      0.00000
     15      13.8523      0.00000
     16      14.3231      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7813      1.00000
      3      -8.4123      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8106     -0.00000
      9       5.5864     -0.00000
     10       8.0955     -0.00000
     11       8.1537     -0.00000
     12      12.0199      0.00000
     13      12.2798      0.00000
     14      13.1202      0.00000
     15      13.8524      0.00000
     16      14.3250      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1538      1.00000
      3      -7.7817      1.00000
      4      -5.9133      1.00000
      5      -3.4728      1.00000
      6      -0.7527      1.00000
      7       2.4568      1.00001
      8       5.3422     -0.00000
      9       6.1043     -0.00000
     10       8.4795     -0.00000
     11       8.6267      0.00000
     12       9.7287      0.00000
     13      10.2718      0.00000
     14      11.3741      0.00000
     15      12.5072      0.00000
     16      12.8295      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1538      1.00000
      3      -7.7817      1.00000
      4      -5.9133      1.00000
      5      -3.4728      1.00000
      6      -0.7527      1.00000
      7       2.4568      1.00001
      8       5.3422     -0.00000
      9       6.1043     -0.00000
     10       8.4795     -0.00000
     11       8.6267      0.00000
     12       9.7287      0.00000
     13      10.2718      0.00000
     14      11.3741      0.00000
     15      12.5031      0.00000
     16      12.7689      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1538      1.00000
      3      -7.7817      1.00000
      4      -5.9133      1.00000
      5      -3.4728      1.00000
      6      -0.7527      1.00000
      7       2.4568      1.00001
      8       5.3422     -0.00000
      9       6.1043     -0.00000
     10       8.4795     -0.00000
     11       8.6267      0.00000
     12       9.7287      0.00000
     13      10.2718      0.00000
     14      11.3741      0.00000
     15      12.5048      0.00000
     16      12.8028      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1071      1.00000
      3      -6.7294      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2851      1.00000
      7       3.4148     -0.03445
      8       5.6443     -0.00000
      9       6.5426     -0.00000
     10       6.8645     -0.00000
     11       7.0511     -0.00000
     12       8.0622     -0.00000
     13       9.4032      0.00000
     14       9.5805      0.00000
     15       9.8048      0.00000
     16      11.5903      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1071      1.00000
      3      -6.7294      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2851      1.00000
      7       3.4148     -0.03445
      8       5.6443     -0.00000
      9       6.5426     -0.00000
     10       6.8645     -0.00000
     11       7.0511     -0.00000
     12       8.0622     -0.00000
     13       9.4032      0.00000
     14       9.5805      0.00000
     15       9.8048      0.00000
     16      11.6047      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1071      1.00000
      3      -6.7294      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2851      1.00000
      7       3.4148     -0.03445
      8       5.6443     -0.00000
      9       6.5426     -0.00000
     10       6.8645     -0.00000
     11       7.0511     -0.00000
     12       8.0622     -0.00000
     13       9.4032      0.00000
     14       9.5805      0.00000
     15       9.8048      0.00000
     16      11.5951      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6387      1.00000
      3      -5.2540      1.00000
      4      -3.3748      1.00000
      5      -0.9347      1.00000
      6       1.5752      1.00000
      7       2.5471      1.00008
      8       3.5234     -0.01243
      9       4.7987     -0.00000
     10       5.1313     -0.00000
     11       6.5233     -0.00000
     12       7.6503     -0.00000
     13       8.2132     -0.00000
     14       8.7109      0.00000
     15      10.5149      0.00000
     16      10.8266      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6387      1.00000
      3      -5.2540      1.00000
      4      -3.3748      1.00000
      5      -0.9347      1.00000
      6       1.5752      1.00000
      7       2.5471      1.00008
      8       3.5234     -0.01243
      9       4.7987     -0.00000
     10       5.1313     -0.00000
     11       6.5233     -0.00000
     12       7.6503     -0.00000
     13       8.2132     -0.00000
     14       8.7109      0.00000
     15      10.5160      0.00000
     16      10.8290      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6387      1.00000
      3      -5.2540      1.00000
      4      -3.3748      1.00000
      5      -0.9347      1.00000
      6       1.5752      1.00000
      7       2.5471      1.00008
      8       3.5234     -0.01243
      9       4.7987     -0.00000
     10       5.1313     -0.00000
     11       6.5233     -0.00000
     12       7.6503     -0.00000
     13       8.2132     -0.00000
     14       8.7109      0.00000
     15      10.5157      0.00000
     16      10.8284      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7461      1.00000
      3      -3.3605      1.00000
      4      -1.5217      1.00000
      5      -0.6679      1.00000
      6       0.1159      1.00000
      7       1.1136      1.00000
      8       2.0150      1.00000
      9       3.6478     -0.00130
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4222      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7461      1.00000
      3      -3.3605      1.00000
      4      -1.5217      1.00000
      5      -0.6679      1.00000
      6       0.1159      1.00000
      7       1.1136      1.00000
      8       2.0150      1.00000
      9       3.6478     -0.00130
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4472      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7461      1.00000
      3      -3.3605      1.00000
      4      -1.5217      1.00000
      5      -0.6679      1.00000
      6       0.1159      1.00000
      7       1.1136      1.00000
      8       2.0150      1.00000
      9       3.6478     -0.00130
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1949      0.00000
     15       9.7530      0.00000
     16      10.4501      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3448      1.00000
      3      -2.4498      1.00000
      4      -2.4354      1.00000
      5      -1.2973      1.00000
      6      -0.9040      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3857     -0.03486
     10       3.5244     -0.01223
     11       5.6745     -0.00000
     12       6.0162     -0.00000
     13       8.4059     -0.00000
     14       8.8610      0.00000
     15      10.2353      0.00000
     16      10.5421      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3448      1.00000
      3      -2.4498      1.00000
      4      -2.4354      1.00000
      5      -1.2973      1.00000
      6      -0.9040      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3857     -0.03486
     10       3.5244     -0.01223
     11       5.6745     -0.00000
     12       6.0162     -0.00000
     13       8.4059     -0.00000
     14       8.8610      0.00000
     15      10.2333      0.00000
     16      10.5370      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3448      1.00000
      3      -2.4498      1.00000
      4      -2.4354      1.00000
      5      -1.2973      1.00000
      6      -0.9040      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3857     -0.03486
     10       3.5244     -0.01223
     11       5.6745     -0.00000
     12       6.0162     -0.00000
     13       8.4059     -0.00000
     14       8.8610      0.00000
     15      10.2335      0.00000
     16      10.5366      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3630      1.00000
      3      -7.9920      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9622      1.00000
      7       2.2508      1.00000
      8       5.1696     -0.00000
      9       5.9331     -0.00000
     10       8.4202     -0.00000
     11       8.4620     -0.00000
     12      11.4276      0.00000
     13      11.4435      0.00000
     14      11.8853      0.00000
     15      12.0132      0.00000
     16      12.6429      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3630      1.00000
      3      -7.9920      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9622      1.00000
      7       2.2508      1.00000
      8       5.1696     -0.00000
      9       5.9331     -0.00000
     10       8.4202     -0.00000
     11       8.4620     -0.00000
     12      11.4276      0.00000
     13      11.4436      0.00000
     14      11.8855      0.00000
     15      12.0132      0.00000
     16      12.6330      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3630      1.00000
      3      -7.9920      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9622      1.00000
      7       2.2508      1.00000
      8       5.1696     -0.00000
      9       5.9331     -0.00000
     10       8.4202     -0.00000
     11       8.4620     -0.00000
     12      11.4276      0.00000
     13      11.4436      0.00000
     14      11.8852      0.00000
     15      12.0170      0.00000
     16      12.6984      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85903
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7176      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85903
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1807      0.00000
     16      10.7178      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85903
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1807      0.00000
     16      10.7176      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85903
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7176      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85903
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7177      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4320      1.00000
      2      -8.5260      1.00000
      3      -7.1505      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1269      1.00000
      7       3.0566      0.85903
      8       5.8214     -0.00000
      9       6.6017     -0.00000
     10       7.8587     -0.00000
     11       8.5851     -0.00000
     12       9.0029      0.00000
     13       9.4206      0.00000
     14       9.8327      0.00000
     15      10.1806      0.00000
     16      10.7176      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5958      0.00000
     16      10.0449      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8977      0.00000
     15       9.5959      0.00000
     16      10.0962      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5959      0.00000
     16      10.0661      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5959      0.00000
     16      10.0651      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5969      0.00000
     16      10.2679      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2686      1.00000
      3      -5.8867      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0913      1.00000
      7       3.8110     -0.00002
      8       4.6802     -0.00000
      9       5.4025     -0.00000
     10       6.5071     -0.00000
     11       7.0860     -0.00000
     12       7.6974     -0.00000
     13       8.1797     -0.00000
     14       8.8976      0.00000
     15       9.5958      0.00000
     16      10.0986      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1242      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1007      0.00000
     16       9.1239      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1240      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1239      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5880      1.00000
      3      -4.2005      1.00000
      4      -2.3281      1.00000
      5       0.0160      1.00000
      6       1.0003      1.00000
      7       1.9761      1.00000
      8       2.9851      0.99890
      9       3.5206     -0.01303
     10       5.1943     -0.00000
     11       5.9025     -0.00000
     12       7.3263     -0.00000
     13       7.9796     -0.00000
     14       8.6512      0.00000
     15       9.1006      0.00000
     16       9.1240      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6946      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6969      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6972      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7327     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6951      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.6946      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4058      1.00000
      2      -3.4862      1.00000
      3      -2.1172      1.00000
      4      -1.8942      1.00000
      5      -1.0426      1.00000
      6      -0.3609      1.00000
      7       0.6411      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00149
     10       4.7326     -0.00000
     11       4.9050     -0.00000
     12       7.0254     -0.00000
     13       7.4883     -0.00000
     14       8.0153     -0.00000
     15       8.8370      0.00000
     16       9.7024      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3883      1.00000
      2      -7.4785      1.00000
      3      -6.0975      1.00000
      4      -4.2189      1.00000
      5      -1.7630      1.00000
      6       0.8995      1.00000
      7       3.9552     -0.00000
      8       6.0174     -0.00000
      9       6.4939     -0.00000
     10       7.2271     -0.00000
     11       7.3180     -0.00000
     12       7.4855     -0.00000
     13       7.6015     -0.00000
     14       8.3743     -0.00000
     15       8.7401      0.00000
     16      10.0556      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3883      1.00000
      2      -7.4785      1.00000
      3      -6.0975      1.00000
      4      -4.2189      1.00000
      5      -1.7630      1.00000
      6       0.8995      1.00000
      7       3.9552     -0.00000
      8       6.0174     -0.00000
      9       6.4939     -0.00000
     10       7.2271     -0.00000
     11       7.3180     -0.00000
     12       7.4855     -0.00000
     13       7.6015     -0.00000
     14       8.3743     -0.00000
     15       8.7401      0.00000
     16      10.0494      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3883      1.00000
      2      -7.4785      1.00000
      3      -6.0975      1.00000
      4      -4.2189      1.00000
      5      -1.7630      1.00000
      6       0.8995      1.00000
      7       3.9552     -0.00000
      8       6.0174     -0.00000
      9       6.4939     -0.00000
     10       7.2271     -0.00000
     11       7.3180     -0.00000
     12       7.4855     -0.00000
     13       7.6015     -0.00000
     14       8.3743     -0.00000
     15       8.7401      0.00000
     16      10.0593      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7569      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7570      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7571      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7570      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7569      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0091      1.00000
      3      -4.6221      1.00000
      4      -2.7430      1.00000
      5      -0.3146      1.00000
      6       2.1602      1.00000
      7       3.1359      0.56782
      8       4.0982     -0.00000
      9       5.0878     -0.00000
     10       5.3550     -0.00000
     11       5.9047     -0.00000
     12       6.4793     -0.00000
     13       7.0126     -0.00000
     14       7.7601     -0.00000
     15       8.4140     -0.00000
     16       8.7572      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8457      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8312      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8457      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8509      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8584      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0373      1.00000
      2      -4.1171      1.00000
      3      -2.7321      1.00000
      4      -0.9038      1.00000
      5      -0.0513      1.00000
      6       0.7179      1.00000
      7       1.7043      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2690     -0.00000
     11       4.8680     -0.00000
     12       5.7263     -0.00000
     13       6.6238     -0.00000
     14       7.3952     -0.00000
     15       7.5222     -0.00000
     16       8.8706      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7187      1.00000
      3      -1.8239      1.00000
      4      -1.8156      1.00000
      5      -0.6831      1.00000
      6      -0.2909      1.00000
      7       1.2398      1.00000
      8       1.9732      1.00000
      9       3.7738     -0.00005
     10       3.9020     -0.00000
     11       4.7185     -0.00000
     12       5.7536     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1234     -0.00000
     16       8.6772      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7187      1.00000
      3      -1.8239      1.00000
      4      -1.8156      1.00000
      5      -0.6831      1.00000
      6      -0.2909      1.00000
      7       1.2398      1.00000
      8       1.9732      1.00000
      9       3.7738     -0.00005
     10       3.9020     -0.00000
     11       4.7185     -0.00000
     12       5.7536     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1234     -0.00000
     16       8.6765      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7187      1.00000
      3      -1.8239      1.00000
      4      -1.8156      1.00000
      5      -0.6831      1.00000
      6      -0.2909      1.00000
      7       1.2398      1.00000
      8       1.9732      1.00000
      9       3.7738     -0.00005
     10       3.9020     -0.00000
     11       4.7185     -0.00000
     12       5.7536     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1234     -0.00000
     16       8.6858      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3279      1.00000
      3      -2.9401      1.00000
      4      -1.0855      1.00000
      5       1.1501      1.00000
      6       2.0991      1.00000
      7       2.2631      1.00000
      8       2.9850      0.99925
      9       3.4387     -0.03055
     10       4.2257     -0.00000
     11       4.4851     -0.00000
     12       4.8522     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2508     -0.00000
     16       8.6880      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3279      1.00000
      3      -2.9401      1.00000
      4      -1.0855      1.00000
      5       1.1501      1.00000
      6       2.0991      1.00000
      7       2.2631      1.00000
      8       2.9850      0.99924
      9       3.4387     -0.03055
     10       4.2257     -0.00000
     11       4.4851     -0.00000
     12       4.8522     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2508     -0.00000
     16       8.6856      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3279      1.00000
      3      -2.9401      1.00000
      4      -1.0855      1.00000
      5       1.1501      1.00000
      6       2.0991      1.00000
      7       2.2631      1.00000
      8       2.9850      0.99924
      9       3.4387     -0.03055
     10       4.2257     -0.00000
     11       4.4851     -0.00000
     12       4.8522     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2508     -0.00000
     16       8.6874      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2288     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2352     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38667
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2328     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38667
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2482     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2318     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1496      1.00000
      2      -2.2337      1.00000
      3      -0.8798      1.00000
      4      -0.6488      1.00000
      5       0.1808      1.00000
      6       0.8201      1.00000
      7       1.7556      1.00000
      8       1.8304      1.00000
      9       2.5530      1.00009
     10       3.1801      0.38668
     11       4.1324     -0.00000
     12       4.6572     -0.00000
     13       6.0476     -0.00000
     14       6.1518     -0.00000
     15       6.3673     -0.00000
     16       8.2445     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8789      1.00000
      2      -0.8597      1.00000
      3      -0.8357      1.00000
      4      -0.0226      1.00000
      5       0.0437      1.00000
      6       0.0638      1.00000
      7       1.0873      1.00000
      8       1.0951      1.00000
      9       1.7913      1.00000
     10       2.6809      1.00212
     11       4.0871     -0.00000
     12       4.1044     -0.00000
     13       5.9733     -0.00000
     14       6.0018     -0.00000
     15       6.0577     -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
  8.066  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
115.780 -61.841   0.000  -0.081   0.000  -0.000  -0.023  -0.000
-61.841  33.031  -0.000   0.034  -0.000   0.000   0.014   0.000
  0.000  -0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.081   0.034   0.000   1.744   0.000   0.000  -0.267  -0.000
  0.000  -0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
 -0.000   0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014  -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
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -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      0.0019
    FORHF :  cpu time    421.6341: real time    424.5698
    FORNL :  cpu time      0.5015: real time      0.5067
    FORCOR:  cpu time      1.9701: real time      1.9808
    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
 -----------------------------------------------------------------------------------------------
   -.130E-05 -.156E-05 0.183E+03   0.438E-13 0.276E-13 -.182E+03   0.140E-05 0.132E-05 -.125E+01
   0.144E-05 0.341E-05 0.912E+02   0.232E-14 0.460E-14 -.912E+02   -.208E-05 -.296E-05 0.145E+00
   0.239E-05 0.482E-05 -.648E+00   -.143E-12 -.882E-13 0.635E+00   -.291E-05 -.506E-05 0.108E-01
   0.391E-05 0.427E-05 -.924E+02   0.132E-12 0.853E-13 0.923E+02   -.552E-05 -.531E-05 0.107E+00
   -.223E-05 -.415E-05 -.181E+03   -.455E-13 -.262E-13 0.180E+03   0.240E-05 0.469E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.417E-05 0.694E-05 -.227E-01   -.971E-14 0.313E-14 0.284E-13   -.672E-05 -.732E-05 0.162E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.120908
      0.00000      0.00000      2.33311         0.000000      0.000001      0.106328
      1.42873      0.82488      4.65694        -0.000000     -0.000000     -0.000921
      2.85746      1.64976      6.98171        -0.000001     -0.000001      0.004740
      0.00000      0.00000      9.36645         0.000000      0.000000      0.010760
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003     -0.000001     -0.005860


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90217541 eV

  energy  without entropy=      -13.89685412  energy(sigma->0) =      -13.90040164
 
 d Force = 0.6069058E-05[ 0.379E-05, 0.835E-05]  d Energy = 0.1165102E-04-0.558E-05
 d Force = 0.9466553E-01[ 0.946E-01, 0.947E-01]  d Ewald  = 0.9466553E-01-0.592E-09


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


    POTLOK:  cpu time      1.9698: real time      1.9805


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.671E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.8955
 eigenvalue spectrum of G is  2.8955  2.8955


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


    WAVPRE:  cpu time      0.0060: real time      0.1739
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0837: real time      0.0841
    POTLOK:  cpu time      1.9686: real time      1.9803
    EDDIAG:  cpu time    591.1930: real time    595.9370
    CHARGE:  cpu time      0.2650: real time      0.2669
 writing wavefunctions
     LOOP+:  cpu time   6309.9904: real time   6361.8608


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


    POTLOK:  cpu time      0.7257: real time      0.7316
    SETDIJ:  cpu time      1.2484: real time      1.2535
    TRIAL :  cpu time    586.7111: real time    591.5023
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2651: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    588.9642: real time    593.7694

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5296653E-04  (-0.1574013E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009048 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08233163
  -Hartree energ DENC   =      -699.95412061
  -exchange      EXHF   =        33.26265359
  -V(xc)+E(xc)   XCENC  =       -83.54944401
  PAW double counting   =    100970.58025846  -100869.62154452
  entropy T*S    EENTRO =        -0.00535448
  eigenvalues    EBANDS =       -35.27828645
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212135 eV

  energy without entropy =      -13.89676687  energy(sigma->0) =      -13.90033652
  exchange ACFDT corr.  =        -0.00516258  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7296
    SETDIJ:  cpu time      1.2473: real time      1.2525
    TRIAL :  cpu time    586.0128: real time    590.8247
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2646: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    588.2535: real time    593.0780

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7197683E-05  (-0.1318139E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009042 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08233163
  -Hartree energ DENC   =      -699.94975367
  -exchange      EXHF   =        33.26257444
  -V(xc)+E(xc)   XCENC  =       -83.54947626
  PAW double counting   =    100971.15177042  -100870.19304429
  entropy T*S    EENTRO =        -0.00535626
  eigenvalues    EBANDS =       -35.28254620
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90211415 eV

  energy without entropy =      -13.89675788  energy(sigma->0) =      -13.90032873
  exchange ACFDT corr.  =        -0.00516182  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7299
    SETDIJ:  cpu time      1.2458: real time      1.2511
    TRIAL :  cpu time    586.3994: real time    591.1868
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    588.6405: real time    593.4406

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5214343E-04  (-0.2568627E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009040 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08233163
  -Hartree energ DENC   =      -699.93008702
  -exchange      EXHF   =        33.26242747
  -V(xc)+E(xc)   XCENC  =       -83.54953061
  PAW double counting   =    100971.26963084  -100870.31091221
  entropy T*S    EENTRO =        -0.00535730
  eigenvalues    EBANDS =       -35.30205438
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216629 eV

  energy without entropy =      -13.89680899  energy(sigma->0) =      -13.90038052
  exchange ACFDT corr.  =        -0.00516313  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7302
    SETDIJ:  cpu time      1.2498: real time      1.2550
    TRIAL :  cpu time    584.8355: real time    589.6366
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    587.0796: real time    591.8933

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1182649E-05  (-0.2571114E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009039 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08233163
  -Hartree energ DENC   =      -699.92574721
  -exchange      EXHF   =        33.26238598
  -V(xc)+E(xc)   XCENC  =       -83.54954901
  PAW double counting   =    100971.75692225  -100870.79821011
  entropy T*S    EENTRO =        -0.00535750
  eigenvalues    EBANDS =       -35.30632795
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216747 eV

  energy without entropy =      -13.89680998  energy(sigma->0) =      -13.90038164
  exchange ACFDT corr.  =        -0.00516296  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7304
    SETDIJ:  cpu time      1.2513: real time      1.2564
    TRIAL :  cpu time    586.1912: real time    590.9958
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    588.4373: real time    593.2545

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7199269E-06  (-0.1695566E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009035 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08233163
  -Hartree energ DENC   =      -699.93121432
  -exchange      EXHF   =        33.26242396
  -V(xc)+E(xc)   XCENC  =       -83.54953976
  PAW double counting   =    100972.57941190  -100871.62069353
  entropy T*S    EENTRO =        -0.00535748
  eigenvalues    EBANDS =       -35.30091483
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216819 eV

  energy without entropy =      -13.89681071  energy(sigma->0) =      -13.90038237
  exchange ACFDT corr.  =        -0.00516306  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     16(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7305
    SETDIJ:  cpu time      1.2499: real time      1.2550
    TRIAL :  cpu time    586.4474: real time    591.2541
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    589.9084: real time    594.6246
    CHARGE:  cpu time      0.2646: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time   1178.6002: real time   1188.1357

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7154420E-05  (-0.9347633E-08)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009031 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.08233163
  -Hartree energ DENC   =      -699.93148306
  -exchange      EXHF   =        33.26248952
  -V(xc)+E(xc)   XCENC  =       -83.54952957
  PAW double counting   =    100973.35797789  -100872.39926766
  entropy T*S    EENTRO =        -0.00535737
  eigenvalues    EBANDS =       -35.30068620
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217535 eV

  energy without entropy =      -13.89681798  energy(sigma->0) =      -13.90038956
  exchange ACFDT corr.  =        -0.00516404  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9129


 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 -69.7761       3 -69.7808       4 -69.7859       5 -69.9067
 
 
 
 E-fermi :   3.1528     XC(G=0):  -5.1205     alpha+bet : -8.9779

 Fermi energy:         3.1527580937

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8912      1.00000
      2      -9.9895      1.00000
      3      -8.6224      1.00000
      4      -6.7615      1.00000
      5      -4.3355      1.00000
      6      -1.5921      1.00000
      7       1.6168      1.00000
      8       4.6272     -0.00000
      9       5.4119     -0.00000
     10       7.9274     -0.00000
     11       7.9884     -0.00000
     12      11.8914      0.00000
     13      12.1835      0.00000
     14      16.0644      0.00000
     15      16.0846      0.00000
     16      16.1162      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5496      1.00000
      5      -4.1195      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8101     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1534     -0.00000
     12      12.0198      0.00000
     13      12.2797      0.00000
     14      13.1207      0.00000
     15      13.8530      0.00000
     16      14.3261      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5496      1.00000
      5      -4.1195      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8101     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1534     -0.00000
     12      12.0198      0.00000
     13      12.2797      0.00000
     14      13.1207      0.00000
     15      13.8530      0.00000
     16      14.3460      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5496      1.00000
      5      -4.1195      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8101     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1534     -0.00000
     12      12.0198      0.00000
     13      12.2797      0.00000
     14      13.1207      0.00000
     15      13.8530      0.00000
     16      14.3259      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9140      1.00000
      5      -3.4726      1.00000
      6      -0.7527      1.00000
      7       2.4569      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5028      0.00000
     16      12.7690      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9140      1.00000
      5      -3.4726      1.00000
      6      -0.7527      1.00000
      7       2.4569      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5039      0.00000
     16      12.7895      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9140      1.00000
      5      -3.4726      1.00000
      6      -0.7527      1.00000
      7       2.4569      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5048      0.00000
     16      12.8315      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0140      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8547      1.00000
      5      -2.4007      1.00000
      6       0.2852      1.00000
      7       3.4148     -0.03445
      8       5.6445     -0.00000
      9       6.5424     -0.00000
     10       6.8653     -0.00000
     11       7.0509     -0.00000
     12       8.0623     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8046      0.00000
     16      11.5891      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0140      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8547      1.00000
      5      -2.4007      1.00000
      6       0.2852      1.00000
      7       3.4148     -0.03445
      8       5.6445     -0.00000
      9       6.5424     -0.00000
     10       6.8653     -0.00000
     11       7.0509     -0.00000
     12       8.0623     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8046      0.00000
     16      11.5931      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0140      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8547      1.00000
      5      -2.4007      1.00000
      6       0.2852      1.00000
      7       3.4148     -0.03445
      8       5.6445     -0.00000
      9       6.5424     -0.00000
     10       6.8653     -0.00000
     11       7.0509     -0.00000
     12       8.0623     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8046      0.00000
     16      11.6070      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3754      1.00000
      5      -0.9346      1.00000
      6       1.5753      1.00000
      7       2.5473      1.00008
      8       3.5243     -0.01224
      9       4.7988     -0.00000
     10       5.1314     -0.00000
     11       6.5226     -0.00000
     12       7.6498     -0.00000
     13       8.2131     -0.00000
     14       8.7111      0.00000
     15      10.5151      0.00000
     16      10.8259      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3754      1.00000
      5      -0.9346      1.00000
      6       1.5753      1.00000
      7       2.5473      1.00008
      8       3.5243     -0.01224
      9       4.7988     -0.00000
     10       5.1314     -0.00000
     11       6.5226     -0.00000
     12       7.6498     -0.00000
     13       8.2131     -0.00000
     14       8.7111      0.00000
     15      10.5151      0.00000
     16      10.8250      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3754      1.00000
      5      -0.9346      1.00000
      6       1.5753      1.00000
      7       2.5473      1.00008
      8       3.5243     -0.01224
      9       4.7988     -0.00000
     10       5.1314     -0.00000
     11       6.5226     -0.00000
     12       7.6498     -0.00000
     13       8.2131     -0.00000
     14       8.7111      0.00000
     15      10.5150      0.00000
     16      10.8258      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6648      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5223      1.00000
      5      -0.6675      1.00000
      6       0.1166      1.00000
      7       1.1137      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1945      0.00000
     15       9.7528      0.00000
     16      10.5404      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6648      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5223      1.00000
      5      -0.6675      1.00000
      6       0.1166      1.00000
      7       1.1137      1.00000
      8       2.0151      1.00000
      9       3.6472     -0.00131
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1945      0.00000
     15       9.7528      0.00000
     16      10.4028      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6648      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5223      1.00000
      5      -0.6675      1.00000
      6       0.1166      1.00000
      7       1.1137      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1945      0.00000
     15       9.7528      0.00000
     16      10.4160      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3445      1.00000
      3      -2.4486      1.00000
      4      -2.4348      1.00000
      5      -1.2971      1.00000
      6      -0.9039      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3856     -0.03486
     10       3.5247     -0.01221
     11       5.6744     -0.00000
     12       6.0163     -0.00000
     13       8.4060     -0.00000
     14       8.8610      0.00000
     15      10.2339      0.00000
     16      10.5364      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3445      1.00000
      3      -2.4486      1.00000
      4      -2.4348      1.00000
      5      -1.2971      1.00000
      6      -0.9039      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3856     -0.03486
     10       3.5247     -0.01221
     11       5.6744     -0.00000
     12       6.0163     -0.00000
     13       8.4060     -0.00000
     14       8.8610      0.00000
     15      10.2340      0.00000
     16      10.5369      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3445      1.00000
      3      -2.4486      1.00000
      4      -2.4348      1.00000
      5      -1.2971      1.00000
      6      -0.9039      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3856     -0.03486
     10       3.5247     -0.01221
     11       5.6744     -0.00000
     12       6.0163     -0.00000
     13       8.4060     -0.00000
     14       8.8610      0.00000
     15      10.2339      0.00000
     16      10.5363      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1259      1.00000
      5      -3.6881      1.00000
      6      -0.9622      1.00000
      7       2.2509      1.00000
      8       5.1691     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4438      0.00000
     14      11.8855      0.00000
     15      12.0139      0.00000
     16      12.6485      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1259      1.00000
      5      -3.6881      1.00000
      6      -0.9622      1.00000
      7       2.2509      1.00000
      8       5.1691     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4439      0.00000
     14      11.8856      0.00000
     15      12.0139      0.00000
     16      12.6409      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1259      1.00000
      5      -3.6881      1.00000
      6      -0.9622      1.00000
      7       2.2509      1.00000
      8       5.1691     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4438      0.00000
     14      11.8856      0.00000
     15      12.0144      0.00000
     16      12.6487      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8589     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7183      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7182      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7182      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7182      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8589     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7183      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5966      0.00000
     16      10.0978      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5966      0.00000
     16      10.0397      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5972      0.00000
     16      10.2331      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8981      0.00000
     15       9.5968      0.00000
     16      10.2216      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5965      0.00000
     16      10.0472      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8980      0.00000
     15       9.6215      0.00000
     16      10.1057      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1243      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1243      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1241      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1242      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1243      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1241      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6967      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.7018      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6983      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6946      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6945      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6992      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4776      1.00000
      3      -6.0974      1.00000
      4      -4.2195      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9553     -0.00000
      8       6.0176     -0.00000
      9       6.4943     -0.00000
     10       7.2276     -0.00000
     11       7.3177     -0.00000
     12       7.4867     -0.00000
     13       7.6014     -0.00000
     14       8.3742     -0.00000
     15       8.7402      0.00000
     16      10.0510      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4776      1.00000
      3      -6.0974      1.00000
      4      -4.2195      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9553     -0.00000
      8       6.0176     -0.00000
      9       6.4943     -0.00000
     10       7.2276     -0.00000
     11       7.3177     -0.00000
     12       7.4867     -0.00000
     13       7.6014     -0.00000
     14       8.3742     -0.00000
     15       8.7402      0.00000
     16      10.0597      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4776      1.00000
      3      -6.0974      1.00000
      4      -4.2195      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9553     -0.00000
      8       6.0176     -0.00000
      9       6.4943     -0.00000
     10       7.2276     -0.00000
     11       7.3177     -0.00000
     12       7.4867     -0.00000
     13       7.6014     -0.00000
     14       8.3742     -0.00000
     15       8.7402      0.00000
     16      10.0537      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7568      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7570      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7568      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7568      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7571      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7567      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8414      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8440      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8423      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8652      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8757      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8774      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7184      1.00000
      3      -1.8231      1.00000
      4      -1.8146      1.00000
      5      -0.6830      1.00000
      6      -0.2908      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7740     -0.00005
     10       3.9021     -0.00000
     11       4.7189     -0.00000
     12       5.7540     -0.00000
     13       6.3930     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.7061      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7184      1.00000
      3      -1.8231      1.00000
      4      -1.8146      1.00000
      5      -0.6830      1.00000
      6      -0.2908      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7740     -0.00005
     10       3.9021     -0.00000
     11       4.7189     -0.00000
     12       5.7540     -0.00000
     13       6.3930     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6930      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7184      1.00000
      3      -1.8231      1.00000
      4      -1.8146      1.00000
      5      -0.6830      1.00000
      6      -0.2908      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7740     -0.00005
     10       3.9021     -0.00000
     11       4.7189     -0.00000
     12       5.7540     -0.00000
     13       6.3930     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6914      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2475      1.00000
      2      -4.3270      1.00000
      3      -2.9400      1.00000
      4      -1.0861      1.00000
      5       1.1503      1.00000
      6       2.0998      1.00000
      7       2.2632      1.00000
      8       2.9855      0.99836
      9       3.4398     -0.03032
     10       4.2258     -0.00000
     11       4.4853     -0.00000
     12       4.8522     -0.00000
     13       6.2094     -0.00000
     14       6.8503     -0.00000
     15       7.2506     -0.00000
     16       8.6851      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2475      1.00000
      2      -4.3270      1.00000
      3      -2.9400      1.00000
      4      -1.0861      1.00000
      5       1.1503      1.00000
      6       2.0998      1.00000
      7       2.2632      1.00000
      8       2.9855      0.99836
      9       3.4398     -0.03032
     10       4.2258     -0.00000
     11       4.4853     -0.00000
     12       4.8522     -0.00000
     13       6.2094     -0.00000
     14       6.8503     -0.00000
     15       7.2506     -0.00000
     16       8.6912      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2475      1.00000
      2      -4.3270      1.00000
      3      -2.9400      1.00000
      4      -1.0861      1.00000
      5       1.1503      1.00000
      6       2.0998      1.00000
      7       2.2632      1.00000
      8       2.9855      0.99836
      9       3.4398     -0.03032
     10       4.2258     -0.00000
     11       4.4853     -0.00000
     12       4.8522     -0.00000
     13       6.2094     -0.00000
     14       6.8503     -0.00000
     15       7.2506     -0.00000
     16       8.6936      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2259     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2395     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2301     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2300     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2291     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38648
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.3912     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8776      1.00000
      2      -0.8599      1.00000
      3      -0.8353      1.00000
      4      -0.0222      1.00000
      5       0.0460      1.00000
      6       0.0640      1.00000
      7       1.0887      1.00000
      8       1.0938      1.00000
      9       1.7912      1.00000
     10       2.6804      1.00211
     11       4.0829     -0.00000
     12       4.1072     -0.00000
     13       5.9723     -0.00000
     14       6.0028     -0.00000
     15       6.0581     -0.00000
     16       8.0130     -0.00000
 Fermi energy:         3.1527580937

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8912      1.00000
      2      -9.9895      1.00000
      3      -8.6224      1.00000
      4      -6.7615      1.00000
      5      -4.3355      1.00000
      6      -1.5921      1.00000
      7       1.6168      1.00000
      8       4.6272     -0.00000
      9       5.4119     -0.00000
     10       7.9274     -0.00000
     11       7.9884     -0.00000
     12      11.8914      0.00000
     13      12.1835      0.00000
     14      16.0639      0.00000
     15      16.0996      0.00000
     16      16.2344      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5496      1.00000
      5      -4.1195      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8101     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1534     -0.00000
     12      12.0198      0.00000
     13      12.2797      0.00000
     14      13.1207      0.00000
     15      13.8530      0.00000
     16      14.3238      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5496      1.00000
      5      -4.1195      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8101     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1534     -0.00000
     12      12.0198      0.00000
     13      12.2797      0.00000
     14      13.1207      0.00000
     15      13.8530      0.00000
     16      14.3234      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5496      1.00000
      5      -4.1195      1.00000
      6      -1.3820      1.00000
      7       1.8304      1.00000
      8       4.8101     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1534     -0.00000
     12      12.0198      0.00000
     13      12.2797      0.00000
     14      13.1207      0.00000
     15      13.8530      0.00000
     16      14.3251      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9140      1.00000
      5      -3.4726      1.00000
      6      -0.7527      1.00000
      7       2.4569      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5066      0.00000
     16      12.8264      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9140      1.00000
      5      -3.4726      1.00000
      6      -0.7527      1.00000
      7       2.4569      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5029      0.00000
     16      12.7686      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9140      1.00000
      5      -3.4726      1.00000
      6      -0.7527      1.00000
      7       2.4569      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5044      0.00000
     16      12.8006      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0140      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8547      1.00000
      5      -2.4007      1.00000
      6       0.2852      1.00000
      7       3.4148     -0.03445
      8       5.6445     -0.00000
      9       6.5424     -0.00000
     10       6.8653     -0.00000
     11       7.0509     -0.00000
     12       8.0623     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8046      0.00000
     16      11.5903      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0140      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8547      1.00000
      5      -2.4007      1.00000
      6       0.2852      1.00000
      7       3.4148     -0.03445
      8       5.6445     -0.00000
      9       6.5424     -0.00000
     10       6.8653     -0.00000
     11       7.0509     -0.00000
     12       8.0623     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8046      0.00000
     16      11.6040      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0140      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8547      1.00000
      5      -2.4007      1.00000
      6       0.2852      1.00000
      7       3.4148     -0.03445
      8       5.6445     -0.00000
      9       6.5424     -0.00000
     10       6.8653     -0.00000
     11       7.0509     -0.00000
     12       8.0623     -0.00000
     13       9.4028      0.00000
     14       9.5802      0.00000
     15       9.8046      0.00000
     16      11.5949      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3754      1.00000
      5      -0.9346      1.00000
      6       1.5753      1.00000
      7       2.5473      1.00008
      8       3.5243     -0.01224
      9       4.7988     -0.00000
     10       5.1314     -0.00000
     11       6.5226     -0.00000
     12       7.6498     -0.00000
     13       8.2131     -0.00000
     14       8.7111      0.00000
     15      10.5148      0.00000
     16      10.8260      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3754      1.00000
      5      -0.9346      1.00000
      6       1.5753      1.00000
      7       2.5473      1.00008
      8       3.5243     -0.01224
      9       4.7988     -0.00000
     10       5.1314     -0.00000
     11       6.5226     -0.00000
     12       7.6498     -0.00000
     13       8.2131     -0.00000
     14       8.7111      0.00000
     15      10.5157      0.00000
     16      10.8285      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3754      1.00000
      5      -0.9346      1.00000
      6       1.5753      1.00000
      7       2.5473      1.00008
      8       3.5243     -0.01224
      9       4.7988     -0.00000
     10       5.1314     -0.00000
     11       6.5226     -0.00000
     12       7.6498     -0.00000
     13       8.2131     -0.00000
     14       8.7111      0.00000
     15      10.5155      0.00000
     16      10.8278      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6648      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5223      1.00000
      5      -0.6675      1.00000
      6       0.1166      1.00000
      7       1.1137      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1945      0.00000
     15       9.7528      0.00000
     16      10.4200      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6648      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5223      1.00000
      5      -0.6675      1.00000
      6       0.1166      1.00000
      7       1.1137      1.00000
      8       2.0151      1.00000
      9       3.6472     -0.00131
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1945      0.00000
     15       9.7528      0.00000
     16      10.4423      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6648      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5223      1.00000
      5      -0.6675      1.00000
      6       0.1166      1.00000
      7       1.1137      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7424     -0.00012
     11       5.9334     -0.00000
     12       6.7072     -0.00000
     13       8.2337     -0.00000
     14       9.1945      0.00000
     15       9.7528      0.00000
     16      10.4449      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3445      1.00000
      3      -2.4486      1.00000
      4      -2.4348      1.00000
      5      -1.2971      1.00000
      6      -0.9039      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3856     -0.03486
     10       3.5247     -0.01221
     11       5.6744     -0.00000
     12       6.0163     -0.00000
     13       8.4060     -0.00000
     14       8.8610      0.00000
     15      10.2349      0.00000
     16      10.5402      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3445      1.00000
      3      -2.4486      1.00000
      4      -2.4348      1.00000
      5      -1.2971      1.00000
      6      -0.9039      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3856     -0.03486
     10       3.5247     -0.01221
     11       5.6744     -0.00000
     12       6.0163     -0.00000
     13       8.4060     -0.00000
     14       8.8610      0.00000
     15      10.2338      0.00000
     16      10.5368      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3445      1.00000
      3      -2.4486      1.00000
      4      -2.4348      1.00000
      5      -1.2971      1.00000
      6      -0.9039      1.00000
      7       0.6386      1.00000
      8       1.3809      1.00000
      9       3.3856     -0.03486
     10       3.5247     -0.01221
     11       5.6744     -0.00000
     12       6.0163     -0.00000
     13       8.4060     -0.00000
     14       8.8610      0.00000
     15      10.2341      0.00000
     16      10.5366      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1259      1.00000
      5      -3.6881      1.00000
      6      -0.9622      1.00000
      7       2.2509      1.00000
      8       5.1691     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4438      0.00000
     14      11.8855      0.00000
     15      12.0141      0.00000
     16      12.6415      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1259      1.00000
      5      -3.6881      1.00000
      6      -0.9622      1.00000
      7       2.2509      1.00000
      8       5.1691     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4438      0.00000
     14      11.8857      0.00000
     15      12.0143      0.00000
     16      12.6327      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1259      1.00000
      5      -3.6881      1.00000
      6      -0.9622      1.00000
      7       2.2509      1.00000
      8       5.1691     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4438      0.00000
     14      11.8854      0.00000
     15      12.0173      0.00000
     16      12.6975      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8589     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7182      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8589     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7182      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8590     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7182      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2783      1.00000
      5      -2.8282      1.00000
      6      -0.1269      1.00000
      7       3.0567      0.85905
      8       5.8210     -0.00000
      9       6.6015     -0.00000
     10       7.8589     -0.00000
     11       8.5859     -0.00000
     12       9.0027      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5965      0.00000
     16      10.0439      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1792     -0.00000
     14       8.8979      0.00000
     15       9.5966      0.00000
     16      10.0882      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5965      0.00000
     16      10.0608      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5965      0.00000
     16      10.0600      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5973      0.00000
     16      10.2666      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0082      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4032     -0.00000
     10       6.5072     -0.00000
     11       7.0855     -0.00000
     12       7.6972     -0.00000
     13       8.1793     -0.00000
     14       8.8979      0.00000
     15       9.5965      0.00000
     16      10.0905      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1011      0.00000
     16       9.1242      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1243      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1241      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1242      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5044      1.00000
      2      -5.5871      1.00000
      3      -4.2004      1.00000
      4      -2.3288      1.00000
      5       0.0162      1.00000
      6       1.0007      1.00000
      7       1.9767      1.00000
      8       2.9854      0.99857
      9       3.5206     -0.01294
     10       5.1937     -0.00000
     11       5.9025     -0.00000
     12       7.3264     -0.00000
     13       7.9798     -0.00000
     14       8.6508      0.00000
     15       9.1010      0.00000
     16       9.1242      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6945      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6966      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6968      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6950      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.6945      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4053      1.00000
      2      -3.4853      1.00000
      3      -2.1170      1.00000
      4      -1.8937      1.00000
      5      -1.0419      1.00000
      6      -0.3613      1.00000
      7       0.6410      1.00000
      8       2.2891      1.00000
      9       2.6638      1.00148
     10       4.7330     -0.00000
     11       4.9048     -0.00000
     12       7.0255     -0.00000
     13       7.4885     -0.00000
     14       8.0156     -0.00000
     15       8.8379      0.00000
     16       9.7013      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4776      1.00000
      3      -6.0974      1.00000
      4      -4.2195      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9553     -0.00000
      8       6.0176     -0.00000
      9       6.4943     -0.00000
     10       7.2276     -0.00000
     11       7.3177     -0.00000
     12       7.4867     -0.00000
     13       7.6014     -0.00000
     14       8.3742     -0.00000
     15       8.7402      0.00000
     16      10.0554      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4776      1.00000
      3      -6.0974      1.00000
      4      -4.2195      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9553     -0.00000
      8       6.0176     -0.00000
      9       6.4943     -0.00000
     10       7.2276     -0.00000
     11       7.3177     -0.00000
     12       7.4867     -0.00000
     13       7.6014     -0.00000
     14       8.3742     -0.00000
     15       8.7402      0.00000
     16      10.0488      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4776      1.00000
      3      -6.0974      1.00000
      4      -4.2195      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9553     -0.00000
      8       6.0176     -0.00000
      9       6.4943     -0.00000
     10       7.2276     -0.00000
     11       7.3177     -0.00000
     12       7.4867     -0.00000
     13       7.6014     -0.00000
     14       8.3742     -0.00000
     15       8.7402      0.00000
     16      10.0584      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7567      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7568      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7569      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7569      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7568      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7436      1.00000
      5      -0.3144      1.00000
      6       2.1603      1.00000
      7       3.1361      0.56848
      8       4.0991     -0.00000
      9       5.0880     -0.00000
     10       5.3551     -0.00000
     11       5.9053     -0.00000
     12       6.4795     -0.00000
     13       7.0124     -0.00000
     14       7.7599     -0.00000
     15       8.4134     -0.00000
     16       8.7570      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8455      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8310      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8446      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8501      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8570      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9043      1.00000
      5      -0.0509      1.00000
      6       0.7186      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00024
      9       4.0700     -0.00000
     10       4.2686     -0.00000
     11       4.8682     -0.00000
     12       5.7270     -0.00000
     13       6.6239     -0.00000
     14       7.3953     -0.00000
     15       7.5223     -0.00000
     16       8.8704      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7184      1.00000
      3      -1.8231      1.00000
      4      -1.8146      1.00000
      5      -0.6830      1.00000
      6      -0.2908      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7740     -0.00005
     10       3.9021     -0.00000
     11       4.7189     -0.00000
     12       5.7540     -0.00000
     13       6.3930     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6765      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7184      1.00000
      3      -1.8231      1.00000
      4      -1.8146      1.00000
      5      -0.6830      1.00000
      6      -0.2908      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7740     -0.00005
     10       3.9021     -0.00000
     11       4.7189     -0.00000
     12       5.7540     -0.00000
     13       6.3930     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6759      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7184      1.00000
      3      -1.8231      1.00000
      4      -1.8146      1.00000
      5      -0.6830      1.00000
      6      -0.2908      1.00000
      7       1.2391      1.00000
      8       1.9727      1.00000
      9       3.7740     -0.00005
     10       3.9021     -0.00000
     11       4.7189     -0.00000
     12       5.7540     -0.00000
     13       6.3930     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6843      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2475      1.00000
      2      -4.3270      1.00000
      3      -2.9400      1.00000
      4      -1.0861      1.00000
      5       1.1503      1.00000
      6       2.0998      1.00000
      7       2.2632      1.00000
      8       2.9855      0.99836
      9       3.4398     -0.03032
     10       4.2258     -0.00000
     11       4.4853     -0.00000
     12       4.8522     -0.00000
     13       6.2094     -0.00000
     14       6.8503     -0.00000
     15       7.2506     -0.00000
     16       8.6878      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2475      1.00000
      2      -4.3270      1.00000
      3      -2.9400      1.00000
      4      -1.0861      1.00000
      5       1.1503      1.00000
      6       2.0998      1.00000
      7       2.2632      1.00000
      8       2.9855      0.99836
      9       3.4398     -0.03032
     10       4.2258     -0.00000
     11       4.4853     -0.00000
     12       4.8522     -0.00000
     13       6.2094     -0.00000
     14       6.8503     -0.00000
     15       7.2506     -0.00000
     16       8.6854      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2475      1.00000
      2      -4.3270      1.00000
      3      -2.9400      1.00000
      4      -1.0861      1.00000
      5       1.1503      1.00000
      6       2.0998      1.00000
      7       2.2632      1.00000
      8       2.9855      0.99836
      9       3.4398     -0.03032
     10       4.2258     -0.00000
     11       4.4853     -0.00000
     12       4.8522     -0.00000
     13       6.2094     -0.00000
     14       6.8503     -0.00000
     15       7.2506     -0.00000
     16       8.6871      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2286     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2342     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2321     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2459     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2312     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1491      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6483      1.00000
      5       0.1815      1.00000
      6       0.8198      1.00000
      7       1.7560      1.00000
      8       1.8303      1.00000
      9       2.5539      1.00010
     10       3.1797      0.38649
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0476     -0.00000
     14       6.1514     -0.00000
     15       6.3671     -0.00000
     16       8.2426     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8776      1.00000
      2      -0.8599      1.00000
      3      -0.8353      1.00000
      4      -0.0222      1.00000
      5       0.0460      1.00000
      6       0.0640      1.00000
      7       1.0887      1.00000
      8       1.0938      1.00000
      9       1.7912      1.00000
     10       2.6804      1.00211
     11       4.0829     -0.00000
     12       4.1072     -0.00000
     13       5.9723     -0.00000
     14       6.0028     -0.00000
     15       6.0581     -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  13.769   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   1.881  -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  23.497   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   1.881  -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
115.778 -61.840  -0.000  -0.081  -0.000   0.000  -0.023   0.000
-61.840  33.031   0.000   0.034   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.081   0.034   0.000   1.744   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   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    421.5877: real time    424.5101
    FORNL :  cpu time      0.5016: real time      0.5068
    FORCOR:  cpu time      1.9711: real time      1.9817
    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
 -----------------------------------------------------------------------------------------------
   -.861E-07 -.368E-05 0.183E+03   0.437E-13 0.275E-13 -.182E+03   0.394E-06 0.449E-05 -.125E+01
   0.579E-06 -.426E-06 0.912E+02   0.199E-14 0.502E-14 -.912E+02   -.167E-05 0.175E-06 0.141E+00
   -.194E-05 -.271E-05 -.680E+00   -.144E-12 -.844E-13 0.672E+00   0.409E-05 0.328E-05 0.204E-01
   -.191E-05 0.119E-05 -.925E+02   0.133E-12 0.805E-13 0.924E+02   0.221E-05 -.152E-05 0.112E+00
   0.208E-06 -.870E-06 -.181E+03   -.449E-13 -.256E-13 0.180E+03   0.207E-06 0.122E-05 0.100E+01
 -----------------------------------------------------------------------------------------------
   -.358E-05 -.689E-05 -.527E-02   -.971E-14 0.313E-14 0.000E+00   0.524E-05 0.764E-05 0.217E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.126756
      0.00000      0.00000      2.33311        -0.000001     -0.000000      0.105404
      1.42873      0.82488      4.65603         0.000001     -0.000000      0.009204
      2.85746      1.64976      6.98109         0.000000     -0.000000      0.009858
      0.00000      0.00000      9.36678         0.000000      0.000000      0.002291
 -----------------------------------------------------------------------------------
    total drift:                                0.000002      0.000001      0.017618


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90217535 eV

  energy  without entropy=      -13.89681798  energy(sigma->0) =      -13.90038956
 
 d Force =-0.6086561E-05[-0.136E-04, 0.147E-05]  d Energy =-0.5746551E-07-0.603E-05
 d Force = 0.2014621E-02[ 0.199E-02, 0.204E-02]  d Ewald  = 0.2014621E-02-0.637E-11


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


    POTLOK:  cpu time      1.9726: real time      1.9833


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.903E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.3221
 eigenvalue spectrum of G is  2.3221  2.3221


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


    WAVPRE:  cpu time      0.0064: real time      0.0730
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9698: real time      1.9814
    EDDIAG:  cpu time    590.4737: real time    595.1860
    CHARGE:  cpu time      0.2661: real time      0.2681
 writing wavefunctions
     LOOP+:  cpu time   5139.7416: real time   5181.6646


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


    POTLOK:  cpu time      0.7257: real time      0.7311
    SETDIJ:  cpu time      1.2450: real time      1.2502
    TRIAL :  cpu time    584.9297: real time    589.7491
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2660: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    587.1801: real time    592.0128

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7762476E-03  (-0.2954881E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009023 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.23706651
  -exchange      EXHF   =        33.26342022
  -V(xc)+E(xc)   XCENC  =       -83.54922347
  PAW double counting   =    100979.68803575  -100878.72941173
  entropy T*S    EENTRO =        -0.00544938
  eigenvalues    EBANDS =       -35.25732695
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90139195 eV

  energy without entropy =      -13.89594257  energy(sigma->0) =      -13.89957549
  exchange ACFDT corr.  =        -0.00522220  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7254: real time      0.7310
    SETDIJ:  cpu time      1.2474: real time      1.2525
    TRIAL :  cpu time    584.7062: real time    589.5220
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    586.9491: real time    591.7776

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2694259E-03  (-0.2419421E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009018 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.17141387
  -exchange      EXHF   =        33.26319079
  -V(xc)+E(xc)   XCENC  =       -83.54930760
  PAW double counting   =    100978.19960359  -100877.24096534
  entropy T*S    EENTRO =        -0.00545360
  eigenvalues    EBANDS =       -35.32240732
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90112252 eV

  energy without entropy =      -13.89566892  energy(sigma->0) =      -13.89930465
  exchange ACFDT corr.  =        -0.00522657  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7296
    SETDIJ:  cpu time      1.2485: real time      1.2537
    TRIAL :  cpu time    584.0732: real time    588.8817
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    586.3154: real time    591.1365

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9260300E-03  ( 0.2948705E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009010 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.19581180
  -exchange      EXHF   =        33.26334892
  -V(xc)+E(xc)   XCENC  =       -83.54926537
  PAW double counting   =    100980.28207545  -100879.32343491
  entropy T*S    EENTRO =        -0.00545796
  eigenvalues    EBANDS =       -35.29913384
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90204855 eV

  energy without entropy =      -13.89659060  energy(sigma->0) =      -13.90022923
  exchange ACFDT corr.  =        -0.00522473  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7304
    SETDIJ:  cpu time      1.2496: real time      1.2548
    TRIAL :  cpu time    585.1758: real time    590.0063
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    587.4209: real time    592.2642

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4348235E-04  (-0.4982097E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009002 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.20383716
  -exchange      EXHF   =        33.26342043
  -V(xc)+E(xc)   XCENC  =       -83.54924850
  PAW double counting   =    100980.98050718  -100880.02189270
  entropy T*S    EENTRO =        -0.00546201
  eigenvalues    EBANDS =       -35.29112297
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90200507 eV

  energy without entropy =      -13.89654306  energy(sigma->0) =      -13.90018440
  exchange ACFDT corr.  =        -0.00523270  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7305
    SETDIJ:  cpu time      1.2454: real time      1.2505
    TRIAL :  cpu time    585.3533: real time    590.1797
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2662: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    587.5947: real time    592.4336

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4465546E-06  (-0.3091430E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009000 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.18911205
  -exchange      EXHF   =        33.26339382
  -V(xc)+E(xc)   XCENC  =       -83.54926137
  PAW double counting   =    100980.38512942  -100879.42650938
  entropy T*S    EENTRO =        -0.00546416
  eigenvalues    EBANDS =       -35.30581055
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90200551 eV

  energy without entropy =      -13.89654136  energy(sigma->0) =      -13.90018413
  exchange ACFDT corr.  =        -0.00523644  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7305
    SETDIJ:  cpu time      1.2479: real time      1.2530
    TRIAL :  cpu time    584.3059: real time    589.1301
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    586.5488: real time    591.3856

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1306529E-03  ( 0.6278943E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0008995 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.19958977
  -exchange      EXHF   =        33.26347889
  -V(xc)+E(xc)   XCENC  =       -83.54923595
  PAW double counting   =    100980.77843031  -100879.81977978
  entropy T*S    EENTRO =        -0.00546604
  eigenvalues    EBANDS =       -35.29560231
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90213617 eV

  energy without entropy =      -13.89667013  energy(sigma->0) =      -13.90031415
  exchange ACFDT corr.  =        -0.00523777  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7302
    SETDIJ:  cpu time      1.2462: real time      1.2514
    TRIAL :  cpu time    582.7459: real time    587.5678
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    584.9867: real time    589.8212

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1362468E-04  (-0.8175900E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0008988 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.20088380
  -exchange      EXHF   =        33.26351380
  -V(xc)+E(xc)   XCENC  =       -83.54922470
  PAW double counting   =    100981.02677834  -100880.06813001
  entropy T*S    EENTRO =        -0.00546840
  eigenvalues    EBANDS =       -35.29433673
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212254 eV

  energy without entropy =      -13.89665415  energy(sigma->0) =      -13.90029974
  exchange ACFDT corr.  =        -0.00524037  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7305
    SETDIJ:  cpu time      1.2440: real time      1.2492
    TRIAL :  cpu time    584.9179: real time    589.7572
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2655: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    587.1573: real time    592.0093

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6214235E-05  (-0.3847573E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0008983 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.19499936
  -exchange      EXHF   =        33.26350289
  -V(xc)+E(xc)   XCENC  =       -83.54922798
  PAW double counting   =    100981.09139550  -100880.13276375
  entropy T*S    EENTRO =        -0.00547046
  eigenvalues    EBANDS =       -35.30019427
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212876 eV

  energy without entropy =      -13.89665830  energy(sigma->0) =      -13.90030527
  exchange ACFDT corr.  =        -0.00524266  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7246: real time      0.7300
    SETDIJ:  cpu time      1.2444: real time      1.2495
    TRIAL :  cpu time    584.8710: real time    589.7204
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    587.1094: real time    591.9713

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1812661E-04  ( 0.2103307E-07)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0008978 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.20071604
  -exchange      EXHF   =        33.26353502
  -V(xc)+E(xc)   XCENC  =       -83.54921679
  PAW double counting   =    100981.64423126  -100880.68559193
  entropy T*S    EENTRO =        -0.00547236
  eigenvalues    EBANDS =       -35.29454455
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214688 eV

  energy without entropy =      -13.89667452  energy(sigma->0) =      -13.90032276
  exchange ACFDT corr.  =        -0.00524398  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7296
    SETDIJ:  cpu time      1.2458: real time      1.2510
    TRIAL :  cpu time    584.8530: real time    589.6714
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2662: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    587.0945: real time    591.9257

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2349727E-05  (-0.1325786E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0008970 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.20218272
  -exchange      EXHF   =        33.26354654
  -V(xc)+E(xc)   XCENC  =       -83.54921287
  PAW double counting   =    100982.14000028  -100881.18134628
  entropy T*S    EENTRO =        -0.00547416
  eigenvalues    EBANDS =       -35.29310373
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214453 eV

  energy without entropy =      -13.89667037  energy(sigma->0) =      -13.90031981
  exchange ACFDT corr.  =        -0.00524565  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     17(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7304
    SETDIJ:  cpu time      1.2447: real time      1.2499
    TRIAL :  cpu time    586.3172: real time    591.1451
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    586.8986: real time    591.6019
    CHARGE:  cpu time      0.2649: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time   1175.4553: real time   1184.9992

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2015135E-05  (-0.4906409E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0008963 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.34424235
  -Hartree energ DENC   =      -700.19848443
  -exchange      EXHF   =        33.26354207
  -V(xc)+E(xc)   XCENC  =       -83.54921728
  PAW double counting   =    100982.65097632  -100881.69230812
  entropy T*S    EENTRO =        -0.00547572
  eigenvalues    EBANDS =       -35.29680011
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90214655 eV

  energy without entropy =      -13.89667083  energy(sigma->0) =      -13.90032131
  exchange ACFDT corr.  =        -0.00524768  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1165


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8958       2 -69.7799       3 -69.7799       4 -69.7806       5 -69.8998
 
 
 
 E-fermi :   3.1526     XC(G=0):  -5.1203     alpha+bet : -8.9779

 Fermi energy:         3.1526358877

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8927      1.00000
      2      -9.9879      1.00000
      3      -8.6213      1.00000
      4      -6.7620      1.00000
      5      -4.3343      1.00000
      6      -1.5915      1.00000
      7       1.6193      1.00000
      8       4.6276     -0.00000
      9       5.4117     -0.00000
     10       7.9272     -0.00000
     11       7.9889     -0.00000
     12      11.8914      0.00000
     13      12.1839      0.00000
     14      16.0627      0.00000
     15      16.0765      0.00000
     16      16.1012      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6843      1.00000
      2      -9.7788      1.00000
      3      -8.4112      1.00000
      4      -6.5501      1.00000
      5      -4.1183      1.00000
      6      -1.3814      1.00000
      7       1.8328      1.00000
      8       4.8104     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1539     -0.00000
     12      12.0198      0.00000
     13      12.2799      0.00000
     14      13.1195      0.00000
     15      13.8543      0.00000
     16      14.3234      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6843      1.00000
      2      -9.7788      1.00000
      3      -8.4112      1.00000
      4      -6.5501      1.00000
      5      -4.1183      1.00000
      6      -1.3814      1.00000
      7       1.8328      1.00000
      8       4.8104     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1539     -0.00000
     12      12.0198      0.00000
     13      12.2799      0.00000
     14      13.1195      0.00000
     15      13.8543      0.00000
     16      14.3363      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6843      1.00000
      2      -9.7788      1.00000
      3      -8.4112      1.00000
      4      -6.5501      1.00000
      5      -4.1183      1.00000
      6      -1.3814      1.00000
      7       1.8328      1.00000
      8       4.8104     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1539     -0.00000
     12      12.0198      0.00000
     13      12.2799      0.00000
     14      13.1195      0.00000
     15      13.8543      0.00000
     16      14.3233      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0588      1.00000
      2      -9.1513      1.00000
      3      -7.7805      1.00000
      4      -5.9145      1.00000
      5      -3.4715      1.00000
      6      -0.7521      1.00000
      7       2.4592      1.00001
      8       5.3420     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7278      0.00000
     13      10.2738      0.00000
     14      11.3752      0.00000
     15      12.5029      0.00000
     16      12.7681      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0588      1.00000
      2      -9.1513      1.00000
      3      -7.7805      1.00000
      4      -5.9145      1.00000
      5      -3.4715      1.00000
      6      -0.7521      1.00000
      7       2.4592      1.00001
      8       5.3420     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7278      0.00000
     13      10.2738      0.00000
     14      11.3752      0.00000
     15      12.5038      0.00000
     16      12.7874      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0588      1.00000
      2      -9.1513      1.00000
      3      -7.7805      1.00000
      4      -5.9145      1.00000
      5      -3.4715      1.00000
      6      -0.7521      1.00000
      7       2.4592      1.00001
      8       5.3420     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7278      0.00000
     13      10.2738      0.00000
     14      11.3752      0.00000
     15      12.5046      0.00000
     16      12.8263      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0156      1.00000
      2      -8.1046      1.00000
      3      -6.7282      1.00000
      4      -4.8552      1.00000
      5      -2.3996      1.00000
      6       0.2857      1.00000
      7       3.4168     -0.03426
      8       5.6437     -0.00000
      9       6.5420     -0.00000
     10       6.8666     -0.00000
     11       7.0507     -0.00000
     12       8.0633     -0.00000
     13       9.4025      0.00000
     14       9.5800      0.00000
     15       9.8048      0.00000
     16      11.5898      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0156      1.00000
      2      -8.1046      1.00000
      3      -6.7282      1.00000
      4      -4.8552      1.00000
      5      -2.3996      1.00000
      6       0.2857      1.00000
      7       3.4168     -0.03426
      8       5.6437     -0.00000
      9       6.5420     -0.00000
     10       6.8666     -0.00000
     11       7.0507     -0.00000
     12       8.0633     -0.00000
     13       9.4025      0.00000
     14       9.5800      0.00000
     15       9.8048      0.00000
     16      11.5931      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0156      1.00000
      2      -8.1046      1.00000
      3      -6.7282      1.00000
      4      -4.8552      1.00000
      5      -2.3996      1.00000
      6       0.2857      1.00000
      7       3.4168     -0.03426
      8       5.6437     -0.00000
      9       6.5420     -0.00000
     10       6.8666     -0.00000
     11       7.0507     -0.00000
     12       8.0633     -0.00000
     13       9.4025      0.00000
     14       9.5800      0.00000
     15       9.8048      0.00000
     16      11.6051      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5528      1.00000
      2      -6.6362      1.00000
      3      -5.2528      1.00000
      4      -3.3760      1.00000
      5      -0.9336      1.00000
      6       1.5755      1.00000
      7       2.5459      1.00008
      8       3.5257     -0.01207
      9       4.8000     -0.00000
     10       5.1332     -0.00000
     11       6.5220     -0.00000
     12       7.6500     -0.00000
     13       8.2129     -0.00000
     14       8.7120      0.00000
     15      10.5149      0.00000
     16      10.8252      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5528      1.00000
      2      -6.6362      1.00000
      3      -5.2528      1.00000
      4      -3.3760      1.00000
      5      -0.9336      1.00000
      6       1.5755      1.00000
      7       2.5459      1.00008
      8       3.5257     -0.01207
      9       4.8000     -0.00000
     10       5.1332     -0.00000
     11       6.5220     -0.00000
     12       7.6500     -0.00000
     13       8.2129     -0.00000
     14       8.7120      0.00000
     15      10.5149      0.00000
     16      10.8243      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5528      1.00000
      2      -6.6362      1.00000
      3      -5.2528      1.00000
      4      -3.3760      1.00000
      5      -0.9336      1.00000
      6       1.5755      1.00000
      7       2.5459      1.00008
      8       3.5257     -0.01207
      9       4.8000     -0.00000
     10       5.1332     -0.00000
     11       6.5220     -0.00000
     12       7.6500     -0.00000
     13       8.2129     -0.00000
     14       8.7120      0.00000
     15      10.5149      0.00000
     16      10.8255      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7435      1.00000
      3      -3.3593      1.00000
      4      -1.5229      1.00000
      5      -0.6694      1.00000
      6       0.1182      1.00000
      7       1.1147      1.00000
      8       2.0161      1.00000
      9       3.6469     -0.00132
     10       3.7425     -0.00012
     11       5.9343     -0.00000
     12       6.7090     -0.00000
     13       8.2342     -0.00000
     14       9.1946      0.00000
     15       9.7525      0.00000
     16      10.5171      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7435      1.00000
      3      -3.3593      1.00000
      4      -1.5229      1.00000
      5      -0.6694      1.00000
      6       0.1182      1.00000
      7       1.1147      1.00000
      8       2.0161      1.00000
      9       3.6469     -0.00132
     10       3.7425     -0.00012
     11       5.9343     -0.00000
     12       6.7090     -0.00000
     13       8.2342     -0.00000
     14       9.1946      0.00000
     15       9.7525      0.00000
     16      10.4006      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7435      1.00000
      3      -3.3593      1.00000
      4      -1.5229      1.00000
      5      -0.6694      1.00000
      6       0.1182      1.00000
      7       1.1147      1.00000
      8       2.0161      1.00000
      9       3.6469     -0.00132
     10       3.7425     -0.00012
     11       5.9343     -0.00000
     12       6.7090     -0.00000
     13       8.2342     -0.00000
     14       9.1946      0.00000
     15       9.7525      0.00000
     16      10.4099      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3682      1.00000
      2      -3.3463      1.00000
      3      -2.4468      1.00000
      4      -2.4334      1.00000
      5      -1.2960      1.00000
      6      -0.9031      1.00000
      7       0.6380      1.00000
      8       1.3803      1.00000
      9       3.3864     -0.03493
     10       3.5259     -0.01201
     11       5.6745     -0.00000
     12       6.0168     -0.00000
     13       8.4078     -0.00000
     14       8.8622      0.00000
     15      10.2321      0.00000
     16      10.5362      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3682      1.00000
      2      -3.3463      1.00000
      3      -2.4468      1.00000
      4      -2.4334      1.00000
      5      -1.2960      1.00000
      6      -0.9031      1.00000
      7       0.6380      1.00000
      8       1.3803      1.00000
      9       3.3864     -0.03493
     10       3.5259     -0.01201
     11       5.6745     -0.00000
     12       6.0168     -0.00000
     13       8.4078     -0.00000
     14       8.8622      0.00000
     15      10.2323      0.00000
     16      10.5364      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3682      1.00000
      2      -3.3463      1.00000
      3      -2.4468      1.00000
      4      -2.4334      1.00000
      5      -1.2960      1.00000
      6      -0.9031      1.00000
      7       0.6380      1.00000
      8       1.3803      1.00000
      9       3.3864     -0.03493
     10       3.5259     -0.01201
     11       5.6745     -0.00000
     12       6.0168     -0.00000
     13       8.4078     -0.00000
     14       8.8622      0.00000
     15      10.2322      0.00000
     16      10.5361      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2673      1.00000
      2      -9.3605      1.00000
      3      -7.9908      1.00000
      4      -6.1264      1.00000
      5      -3.6869      1.00000
      6      -0.9616      1.00000
      7       2.2533      1.00000
      8       5.1694     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4622     -0.00000
     12      11.4259      0.00000
     13      11.4423      0.00000
     14      11.8869      0.00000
     15      12.0155      0.00000
     16      12.6463      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2673      1.00000
      2      -9.3605      1.00000
      3      -7.9908      1.00000
      4      -6.1264      1.00000
      5      -3.6869      1.00000
      6      -0.9616      1.00000
      7       2.2533      1.00000
      8       5.1694     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4622     -0.00000
     12      11.4259      0.00000
     13      11.4424      0.00000
     14      11.8870      0.00000
     15      12.0156      0.00000
     16      12.6386      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2673      1.00000
      2      -9.3605      1.00000
      3      -7.9908      1.00000
      4      -6.1264      1.00000
      5      -3.6869      1.00000
      6      -0.9616      1.00000
      7       2.2533      1.00000
      8       5.1694     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4622     -0.00000
     12      11.4259      0.00000
     13      11.4423      0.00000
     14      11.8870      0.00000
     15      12.0160      0.00000
     16      12.6472      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85372
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7196      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85372
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85372
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85372
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85372
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7196      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85372
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5981      0.00000
     16      10.0813      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0390      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8964      0.00000
     15       9.5984      0.00000
     16      10.2245      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8964      0.00000
     15       9.5981      0.00000
     16      10.2101      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0437      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.6078      0.00000
     16      10.0870      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1257      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99799
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1257      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1256      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1257      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1257      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99799
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1008      0.00000
     16       9.1256      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6972      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.7015      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6977      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6955      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6954      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6982      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3894      1.00000
      2      -7.4760      1.00000
      3      -6.0963      1.00000
      4      -4.2201      1.00000
      5      -1.7618      1.00000
      6       0.9000      1.00000
      7       3.9570     -0.00000
      8       6.0168     -0.00000
      9       6.4929     -0.00000
     10       7.2280     -0.00000
     11       7.3176     -0.00000
     12       7.4883     -0.00000
     13       7.6014     -0.00000
     14       8.3755     -0.00000
     15       8.7409      0.00000
     16      10.0504      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3894      1.00000
      2      -7.4760      1.00000
      3      -6.0963      1.00000
      4      -4.2201      1.00000
      5      -1.7618      1.00000
      6       0.9000      1.00000
      7       3.9570     -0.00000
      8       6.0168     -0.00000
      9       6.4929     -0.00000
     10       7.2280     -0.00000
     11       7.3176     -0.00000
     12       7.4883     -0.00000
     13       7.6014     -0.00000
     14       8.3755     -0.00000
     15       8.7409      0.00000
     16      10.0590      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3894      1.00000
      2      -7.4760      1.00000
      3      -6.0963      1.00000
      4      -4.2201      1.00000
      5      -1.7618      1.00000
      6       0.9000      1.00000
      7       3.9570     -0.00000
      8       6.0168     -0.00000
      9       6.4929     -0.00000
     10       7.2280     -0.00000
     11       7.3176     -0.00000
     12       7.4883     -0.00000
     13       7.6014     -0.00000
     14       8.3755     -0.00000
     15       8.7408      0.00000
     16      10.0532      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57367
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7567      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4136     -0.00000
     16       8.7566      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7568      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57367
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8403      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8437      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8410      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8645      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3963     -0.00000
     15       7.5240     -0.00000
     16       8.8744      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8765      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7425      1.00000
      2      -2.7203      1.00000
      3      -1.8219      1.00000
      4      -1.8126      1.00000
      5      -0.6818      1.00000
      6      -0.2900      1.00000
      7       1.2384      1.00000
      8       1.9721      1.00000
      9       3.7748     -0.00005
     10       3.9023     -0.00000
     11       4.7186     -0.00000
     12       5.7551     -0.00000
     13       6.3931     -0.00000
     14       6.7531     -0.00000
     15       7.1243     -0.00000
     16       8.6999      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7425      1.00000
      2      -2.7203      1.00000
      3      -1.8219      1.00000
      4      -1.8126      1.00000
      5      -0.6818      1.00000
      6      -0.2900      1.00000
      7       1.2384      1.00000
      8       1.9721      1.00000
      9       3.7748     -0.00005
     10       3.9023     -0.00000
     11       4.7186     -0.00000
     12       5.7551     -0.00000
     13       6.3931     -0.00000
     14       6.7531     -0.00000
     15       7.1243     -0.00000
     16       8.6890      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7425      1.00000
      2      -2.7203      1.00000
      3      -1.8219      1.00000
      4      -1.8126      1.00000
      5      -0.6818      1.00000
      6      -0.2900      1.00000
      7       1.2384      1.00000
      8       1.9721      1.00000
      9       3.7748     -0.00005
     10       3.9023     -0.00000
     11       4.7186     -0.00000
     12       5.7551     -0.00000
     13       6.3931     -0.00000
     14       6.7531     -0.00000
     15       7.1243     -0.00000
     16       8.6876      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.3254      1.00000
      3      -2.9390      1.00000
      4      -1.0868      1.00000
      5       1.1509      1.00000
      6       2.0980      1.00000
      7       2.2621      1.00000
      8       2.9864      0.99779
      9       3.4412     -0.03008
     10       4.2269     -0.00000
     11       4.4858     -0.00000
     12       4.8529     -0.00000
     13       6.2089     -0.00000
     14       6.8499     -0.00000
     15       7.2522     -0.00000
     16       8.6853      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.3254      1.00000
      3      -2.9390      1.00000
      4      -1.0868      1.00000
      5       1.1509      1.00000
      6       2.0980      1.00000
      7       2.2621      1.00000
      8       2.9864      0.99779
      9       3.4412     -0.03008
     10       4.2269     -0.00000
     11       4.4858     -0.00000
     12       4.8529     -0.00000
     13       6.2089     -0.00000
     14       6.8499     -0.00000
     15       7.2522     -0.00000
     16       8.6908      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.3254      1.00000
      3      -2.9390      1.00000
      4      -1.0868      1.00000
      5       1.1509      1.00000
      6       2.0980      1.00000
      7       2.2621      1.00000
      8       2.9864      0.99780
      9       3.4412     -0.03008
     10       4.2269     -0.00000
     11       4.4858     -0.00000
     12       4.8529     -0.00000
     13       6.2089     -0.00000
     14       6.8499     -0.00000
     15       7.2522     -0.00000
     16       8.6929      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38707
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2266     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38709
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2364     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38708
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2301     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38708
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2294     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38708
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2291     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38707
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.3837     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8799      1.00000
      2      -0.8612      1.00000
      3      -0.8374      1.00000
      4      -0.0213      1.00000
      5       0.0466      1.00000
      6       0.0671      1.00000
      7       1.0874      1.00000
      8       1.0976      1.00000
      9       1.7918      1.00000
     10       2.6796      1.00207
     11       4.0854     -0.00000
     12       4.1037     -0.00000
     13       5.9729     -0.00000
     14       6.0036     -0.00000
     15       6.0598     -0.00000
     16       8.0127     -0.00000
 Fermi energy:         3.1526358877

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8927      1.00000
      2      -9.9879      1.00000
      3      -8.6213      1.00000
      4      -6.7620      1.00000
      5      -4.3343      1.00000
      6      -1.5915      1.00000
      7       1.6193      1.00000
      8       4.6276     -0.00000
      9       5.4117     -0.00000
     10       7.9272     -0.00000
     11       7.9889     -0.00000
     12      11.8914      0.00000
     13      12.1839      0.00000
     14      16.0625      0.00000
     15      16.0883      0.00000
     16      16.2099      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6843      1.00000
      2      -9.7788      1.00000
      3      -8.4112      1.00000
      4      -6.5501      1.00000
      5      -4.1183      1.00000
      6      -1.3814      1.00000
      7       1.8328      1.00000
      8       4.8104     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1539     -0.00000
     12      12.0198      0.00000
     13      12.2799      0.00000
     14      13.1195      0.00000
     15      13.8543      0.00000
     16      14.3220      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6843      1.00000
      2      -9.7788      1.00000
      3      -8.4112      1.00000
      4      -6.5501      1.00000
      5      -4.1183      1.00000
      6      -1.3814      1.00000
      7       1.8328      1.00000
      8       4.8104     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1539     -0.00000
     12      12.0198      0.00000
     13      12.2799      0.00000
     14      13.1195      0.00000
     15      13.8543      0.00000
     16      14.3218      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6843      1.00000
      2      -9.7788      1.00000
      3      -8.4112      1.00000
      4      -6.5501      1.00000
      5      -4.1183      1.00000
      6      -1.3814      1.00000
      7       1.8328      1.00000
      8       4.8104     -0.00000
      9       5.5860     -0.00000
     10       8.0952     -0.00000
     11       8.1539     -0.00000
     12      12.0198      0.00000
     13      12.2799      0.00000
     14      13.1195      0.00000
     15      13.8544      0.00000
     16      14.3228      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0588      1.00000
      2      -9.1513      1.00000
      3      -7.7805      1.00000
      4      -5.9145      1.00000
      5      -3.4715      1.00000
      6      -0.7521      1.00000
      7       2.4592      1.00001
      8       5.3420     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7278      0.00000
     13      10.2738      0.00000
     14      11.3752      0.00000
     15      12.5061      0.00000
     16      12.8218      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0588      1.00000
      2      -9.1513      1.00000
      3      -7.7805      1.00000
      4      -5.9145      1.00000
      5      -3.4715      1.00000
      6      -0.7521      1.00000
      7       2.4592      1.00001
      8       5.3420     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7278      0.00000
     13      10.2738      0.00000
     14      11.3752      0.00000
     15      12.5030      0.00000
     16      12.7680      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0588      1.00000
      2      -9.1513      1.00000
      3      -7.7805      1.00000
      4      -5.9145      1.00000
      5      -3.4715      1.00000
      6      -0.7521      1.00000
      7       2.4592      1.00001
      8       5.3420     -0.00000
      9       6.1039     -0.00000
     10       8.4792     -0.00000
     11       8.6267      0.00000
     12       9.7278      0.00000
     13      10.2738      0.00000
     14      11.3752      0.00000
     15      12.5042      0.00000
     16      12.7975      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0156      1.00000
      2      -8.1046      1.00000
      3      -6.7282      1.00000
      4      -4.8552      1.00000
      5      -2.3996      1.00000
      6       0.2857      1.00000
      7       3.4168     -0.03426
      8       5.6437     -0.00000
      9       6.5420     -0.00000
     10       6.8666     -0.00000
     11       7.0507     -0.00000
     12       8.0633     -0.00000
     13       9.4025      0.00000
     14       9.5800      0.00000
     15       9.8048      0.00000
     16      11.5908      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0156      1.00000
      2      -8.1046      1.00000
      3      -6.7282      1.00000
      4      -4.8552      1.00000
      5      -2.3996      1.00000
      6       0.2857      1.00000
      7       3.4168     -0.03426
      8       5.6437     -0.00000
      9       6.5420     -0.00000
     10       6.8666     -0.00000
     11       7.0507     -0.00000
     12       8.0633     -0.00000
     13       9.4025      0.00000
     14       9.5800      0.00000
     15       9.8048      0.00000
     16      11.6024      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0156      1.00000
      2      -8.1046      1.00000
      3      -6.7282      1.00000
      4      -4.8552      1.00000
      5      -2.3996      1.00000
      6       0.2857      1.00000
      7       3.4168     -0.03426
      8       5.6437     -0.00000
      9       6.5420     -0.00000
     10       6.8666     -0.00000
     11       7.0507     -0.00000
     12       8.0633     -0.00000
     13       9.4025      0.00000
     14       9.5800      0.00000
     15       9.8048      0.00000
     16      11.5946      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5528      1.00000
      2      -6.6362      1.00000
      3      -5.2528      1.00000
      4      -3.3760      1.00000
      5      -0.9336      1.00000
      6       1.5755      1.00000
      7       2.5459      1.00008
      8       3.5257     -0.01207
      9       4.8000     -0.00000
     10       5.1332     -0.00000
     11       6.5220     -0.00000
     12       7.6500     -0.00000
     13       8.2129     -0.00000
     14       8.7120      0.00000
     15      10.5147      0.00000
     16      10.8257      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5528      1.00000
      2      -6.6362      1.00000
      3      -5.2528      1.00000
      4      -3.3760      1.00000
      5      -0.9336      1.00000
      6       1.5755      1.00000
      7       2.5459      1.00008
      8       3.5257     -0.01207
      9       4.8000     -0.00000
     10       5.1332     -0.00000
     11       6.5220     -0.00000
     12       7.6500     -0.00000
     13       8.2129     -0.00000
     14       8.7120      0.00000
     15      10.5154      0.00000
     16      10.8281      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5528      1.00000
      2      -6.6362      1.00000
      3      -5.2528      1.00000
      4      -3.3760      1.00000
      5      -0.9336      1.00000
      6       1.5755      1.00000
      7       2.5459      1.00008
      8       3.5257     -0.01207
      9       4.8000     -0.00000
     10       5.1332     -0.00000
     11       6.5220     -0.00000
     12       7.6500     -0.00000
     13       8.2129     -0.00000
     14       8.7120      0.00000
     15      10.5152      0.00000
     16      10.8272      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7435      1.00000
      3      -3.3593      1.00000
      4      -1.5229      1.00000
      5      -0.6694      1.00000
      6       0.1182      1.00000
      7       1.1147      1.00000
      8       2.0161      1.00000
      9       3.6469     -0.00132
     10       3.7425     -0.00012
     11       5.9343     -0.00000
     12       6.7090     -0.00000
     13       8.2342     -0.00000
     14       9.1946      0.00000
     15       9.7525      0.00000
     16      10.4127      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7435      1.00000
      3      -3.3593      1.00000
      4      -1.5229      1.00000
      5      -0.6694      1.00000
      6       0.1182      1.00000
      7       1.1147      1.00000
      8       2.0161      1.00000
      9       3.6469     -0.00132
     10       3.7425     -0.00012
     11       5.9343     -0.00000
     12       6.7090     -0.00000
     13       8.2342     -0.00000
     14       9.1946      0.00000
     15       9.7525      0.00000
     16      10.4292      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7435      1.00000
      3      -3.3593      1.00000
      4      -1.5229      1.00000
      5      -0.6694      1.00000
      6       0.1182      1.00000
      7       1.1147      1.00000
      8       2.0161      1.00000
      9       3.6469     -0.00132
     10       3.7425     -0.00012
     11       5.9343     -0.00000
     12       6.7090     -0.00000
     13       8.2342     -0.00000
     14       9.1946      0.00000
     15       9.7525      0.00000
     16      10.4328      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3682      1.00000
      2      -3.3463      1.00000
      3      -2.4468      1.00000
      4      -2.4334      1.00000
      5      -1.2960      1.00000
      6      -0.9031      1.00000
      7       0.6380      1.00000
      8       1.3803      1.00000
      9       3.3864     -0.03493
     10       3.5259     -0.01201
     11       5.6745     -0.00000
     12       6.0168     -0.00000
     13       8.4078     -0.00000
     14       8.8622      0.00000
     15      10.2327      0.00000
     16      10.5376      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3682      1.00000
      2      -3.3463      1.00000
      3      -2.4468      1.00000
      4      -2.4334      1.00000
      5      -1.2960      1.00000
      6      -0.9031      1.00000
      7       0.6380      1.00000
      8       1.3803      1.00000
      9       3.3864     -0.03493
     10       3.5259     -0.01201
     11       5.6745     -0.00000
     12       6.0168     -0.00000
     13       8.4078     -0.00000
     14       8.8622      0.00000
     15      10.2321      0.00000
     16      10.5364      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3682      1.00000
      2      -3.3463      1.00000
      3      -2.4468      1.00000
      4      -2.4334      1.00000
      5      -1.2960      1.00000
      6      -0.9031      1.00000
      7       0.6380      1.00000
      8       1.3803      1.00000
      9       3.3864     -0.03493
     10       3.5259     -0.01201
     11       5.6745     -0.00000
     12       6.0168     -0.00000
     13       8.4078     -0.00000
     14       8.8622      0.00000
     15      10.2321      0.00000
     16      10.5362      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2673      1.00000
      2      -9.3605      1.00000
      3      -7.9908      1.00000
      4      -6.1264      1.00000
      5      -3.6869      1.00000
      6      -0.9616      1.00000
      7       2.2533      1.00000
      8       5.1694     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4622     -0.00000
     12      11.4259      0.00000
     13      11.4423      0.00000
     14      11.8869      0.00000
     15      12.0157      0.00000
     16      12.6401      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2673      1.00000
      2      -9.3605      1.00000
      3      -7.9908      1.00000
      4      -6.1264      1.00000
      5      -3.6869      1.00000
      6      -0.9616      1.00000
      7       2.2533      1.00000
      8       5.1694     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4622     -0.00000
     12      11.4259      0.00000
     13      11.4423      0.00000
     14      11.8871      0.00000
     15      12.0156      0.00000
     16      12.6315      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2673      1.00000
      2      -9.3605      1.00000
      3      -7.9908      1.00000
      4      -6.1264      1.00000
      5      -3.6869      1.00000
      6      -0.9616      1.00000
      7       2.2533      1.00000
      8       5.1694     -0.00000
      9       5.9327     -0.00000
     10       8.4199     -0.00000
     11       8.4622     -0.00000
     12      11.4259      0.00000
     13      11.4423      0.00000
     14      11.8869      0.00000
     15      12.0176      0.00000
     16      12.6935      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85371
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85371
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7196      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85371
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85371
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85371
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4330      1.00000
      2      -8.5235      1.00000
      3      -7.1493      1.00000
      4      -5.2789      1.00000
      5      -2.8270      1.00000
      6      -0.1264      1.00000
      7       3.0588      0.85371
      8       5.8213     -0.00000
      9       6.6012     -0.00000
     10       7.8573     -0.00000
     11       8.5876     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8340      0.00000
     15      10.1799      0.00000
     16      10.7195      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0425      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0762      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0537      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0529      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5985      0.00000
     16      10.2648      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1803      1.00000
      2      -7.2661      1.00000
      3      -5.8855      1.00000
      4      -4.0087      1.00000
      5      -1.5521      1.00000
      6       1.0917      1.00000
      7       3.8112     -0.00002
      8       4.6807     -0.00000
      9       5.4051     -0.00000
     10       6.5080     -0.00000
     11       7.0857     -0.00000
     12       7.6970     -0.00000
     13       8.1787     -0.00000
     14       8.8963      0.00000
     15       9.5980      0.00000
     16      10.0785      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1008      0.00000
     16       9.1256      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1258      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1256      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1256      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1256      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.5855      1.00000
      3      -4.1993      1.00000
      4      -2.3294      1.00000
      5       0.0170      1.00000
      6       0.9993      1.00000
      7       1.9779      1.00000
      8       2.9860      0.99798
      9       3.5215     -0.01286
     10       5.1931     -0.00000
     11       5.9041     -0.00000
     12       7.3270     -0.00000
     13       7.9794     -0.00000
     14       8.6506      0.00000
     15       9.1007      0.00000
     16       9.1257      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6954      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6971      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6973      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6958      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.6954      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4837      1.00000
      3      -2.1160      1.00000
      4      -1.8956      1.00000
      5      -1.0404      1.00000
      6      -0.3614      1.00000
      7       0.6416      1.00000
      8       2.2891      1.00000
      9       2.6641      1.00149
     10       4.7340     -0.00000
     11       4.9050     -0.00000
     12       7.0255     -0.00000
     13       7.4889     -0.00000
     14       8.0157     -0.00000
     15       8.8397      0.00000
     16       9.7009      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3894      1.00000
      2      -7.4760      1.00000
      3      -6.0963      1.00000
      4      -4.2201      1.00000
      5      -1.7618      1.00000
      6       0.9000      1.00000
      7       3.9570     -0.00000
      8       6.0168     -0.00000
      9       6.4929     -0.00000
     10       7.2280     -0.00000
     11       7.3176     -0.00000
     12       7.4883     -0.00000
     13       7.6014     -0.00000
     14       8.3755     -0.00000
     15       8.7409      0.00000
     16      10.0546      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3894      1.00000
      2      -7.4760      1.00000
      3      -6.0963      1.00000
      4      -4.2201      1.00000
      5      -1.7618      1.00000
      6       0.9000      1.00000
      7       3.9570     -0.00000
      8       6.0168     -0.00000
      9       6.4929     -0.00000
     10       7.2280     -0.00000
     11       7.3176     -0.00000
     12       7.4883     -0.00000
     13       7.6014     -0.00000
     14       8.3755     -0.00000
     15       8.7408      0.00000
     16      10.0483      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3894      1.00000
      2      -7.4760      1.00000
      3      -6.0963      1.00000
      4      -4.2201      1.00000
      5      -1.7618      1.00000
      6       0.9000      1.00000
      7       3.9570     -0.00000
      8       6.0168     -0.00000
      9       6.4929     -0.00000
     10       7.2280     -0.00000
     11       7.3176     -0.00000
     12       7.4883     -0.00000
     13       7.6014     -0.00000
     14       8.3755     -0.00000
     15       8.7409      0.00000
     16      10.0578      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57367
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7567      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57367
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57368
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7566      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9257      1.00000
      2      -6.0066      1.00000
      3      -4.6209      1.00000
      4      -2.7442      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1347      0.57367
      8       4.1004     -0.00000
      9       5.0877     -0.00000
     10       5.3560     -0.00000
     11       5.9057     -0.00000
     12       6.4812     -0.00000
     13       7.0124     -0.00000
     14       7.7603     -0.00000
     15       8.4135     -0.00000
     16       8.7567      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8455      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8307      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8443      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8501      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8558      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0386      1.00000
      2      -4.1145      1.00000
      3      -2.7309      1.00000
      4      -0.9049      1.00000
      5      -0.0529      1.00000
      6       0.7202      1.00000
      7       1.7054      1.00000
      8       2.5878      1.00024
      9       4.0699     -0.00000
     10       4.2682     -0.00000
     11       4.8670     -0.00000
     12       5.7282     -0.00000
     13       6.6249     -0.00000
     14       7.3964     -0.00000
     15       7.5240     -0.00000
     16       8.8696      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7425      1.00000
      2      -2.7203      1.00000
      3      -1.8219      1.00000
      4      -1.8126      1.00000
      5      -0.6818      1.00000
      6      -0.2900      1.00000
      7       1.2384      1.00000
      8       1.9721      1.00000
      9       3.7748     -0.00005
     10       3.9023     -0.00000
     11       4.7186     -0.00000
     12       5.7551     -0.00000
     13       6.3931     -0.00000
     14       6.7531     -0.00000
     15       7.1243     -0.00000
     16       8.6757      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7425      1.00000
      2      -2.7203      1.00000
      3      -1.8219      1.00000
      4      -1.8126      1.00000
      5      -0.6818      1.00000
      6      -0.2900      1.00000
      7       1.2384      1.00000
      8       1.9721      1.00000
      9       3.7748     -0.00005
     10       3.9023     -0.00000
     11       4.7186     -0.00000
     12       5.7551     -0.00000
     13       6.3931     -0.00000
     14       6.7531     -0.00000
     15       7.1243     -0.00000
     16       8.6754      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7425      1.00000
      2      -2.7203      1.00000
      3      -1.8219      1.00000
      4      -1.8126      1.00000
      5      -0.6818      1.00000
      6      -0.2900      1.00000
      7       1.2384      1.00000
      8       1.9721      1.00000
      9       3.7748     -0.00005
     10       3.9023     -0.00000
     11       4.7186     -0.00000
     12       5.7551     -0.00000
     13       6.3931     -0.00000
     14       6.7531     -0.00000
     15       7.1243     -0.00000
     16       8.6819      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.3254      1.00000
      3      -2.9390      1.00000
      4      -1.0868      1.00000
      5       1.1509      1.00000
      6       2.0980      1.00000
      7       2.2621      1.00000
      8       2.9864      0.99780
      9       3.4412     -0.03008
     10       4.2269     -0.00000
     11       4.4858     -0.00000
     12       4.8529     -0.00000
     13       6.2089     -0.00000
     14       6.8499     -0.00000
     15       7.2522     -0.00000
     16       8.6876      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.3254      1.00000
      3      -2.9390      1.00000
      4      -1.0868      1.00000
      5       1.1509      1.00000
      6       2.0980      1.00000
      7       2.2621      1.00000
      8       2.9864      0.99780
      9       3.4412     -0.03008
     10       4.2269     -0.00000
     11       4.4858     -0.00000
     12       4.8529     -0.00000
     13       6.2089     -0.00000
     14       6.8499     -0.00000
     15       7.2522     -0.00000
     16       8.6855      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.3254      1.00000
      3      -2.9390      1.00000
      4      -1.0868      1.00000
      5       1.1509      1.00000
      6       2.0980      1.00000
      7       2.2621      1.00000
      8       2.9864      0.99779
      9       3.4412     -0.03008
     10       4.2269     -0.00000
     11       4.4858     -0.00000
     12       4.8529     -0.00000
     13       6.2089     -0.00000
     14       6.8499     -0.00000
     15       7.2522     -0.00000
     16       8.6871      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38709
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2287     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38709
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2325     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38709
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2310     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38709
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2415     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38708
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2304     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1510      1.00000
      2      -2.2311      1.00000
      3      -0.8787      1.00000
      4      -0.6502      1.00000
      5       0.1829      1.00000
      6       0.8198      1.00000
      7       1.7545      1.00000
      8       1.8304      1.00000
      9       2.5554      1.00010
     10       3.1799      0.38709
     11       4.1328     -0.00000
     12       4.6579     -0.00000
     13       6.0479     -0.00000
     14       6.1514     -0.00000
     15       6.3674     -0.00000
     16       8.2387     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8799      1.00000
      2      -0.8612      1.00000
      3      -0.8374      1.00000
      4      -0.0213      1.00000
      5       0.0466      1.00000
      6       0.0671      1.00000
      7       1.0874      1.00000
      8       1.0976      1.00000
      9       1.7918      1.00000
     10       2.6796      1.00207
     11       4.0854     -0.00000
     12       4.1037     -0.00000
     13       5.9729     -0.00000
     14       6.0036     -0.00000
     15       6.0598     -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
  8.066  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
115.781 -61.842  -0.000  -0.082  -0.000   0.000  -0.023   0.000
-61.842  33.032   0.000   0.035   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.082   0.035   0.000   1.744   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   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      0.0019
    FORHF :  cpu time    421.6360: real time    424.5593
    FORNL :  cpu time      0.5034: real time      0.5087
    FORCOR:  cpu time      1.9642: real time      1.9747
    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
 -----------------------------------------------------------------------------------------------
   0.122E-05 -.601E-05 0.183E+03   0.437E-13 0.277E-13 -.182E+03   -.969E-06 0.671E-05 -.125E+01
   0.287E-05 -.651E-06 0.913E+02   -.765E-15 0.397E-14 -.913E+02   -.419E-05 0.369E-06 0.134E+00
   0.282E-05 -.145E-05 -.744E+00   -.145E-12 -.855E-13 0.725E+00   -.317E-05 0.132E-05 0.295E-01
   0.322E-05 -.175E-06 -.925E+02   0.131E-12 0.840E-13 0.924E+02   -.417E-05 -.544E-06 0.115E+00
   0.852E-06 -.883E-06 -.181E+03   -.389E-13 -.270E-13 0.180E+03   -.155E-06 0.159E-05 0.997E+00
 -----------------------------------------------------------------------------------------------
   0.123E-04 -.923E-05 -.220E-01   -.971E-14 0.313E-14 -.568E-13   -.127E-04 0.945E-05 0.244E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.121666
      0.00000      0.00000      2.33311        -0.000001     -0.000000      0.098534
      1.42873      0.82488      4.65427        -0.000000     -0.000000      0.008949
      2.85746      1.64976      6.97948         0.000000     -0.000000      0.009704
      0.00000      0.00000      9.36616         0.000001      0.000001      0.004479
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000000      0.003858


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90214655 eV

  energy  without entropy=      -13.89667083  energy(sigma->0) =      -13.90032131
 
 d Force =-0.3387830E-04[-0.342E-04,-0.335E-04]  d Energy =-0.2879922E-04-0.508E-05
 d Force =-0.2619107E+00[-0.262E+00,-0.262E+00]  d Ewald  =-0.2619107E+00 0.222E-08


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


    POTLOK:  cpu time      1.9643: real time      1.9750


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.937E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.8094
 eigenvalue spectrum of G is  2.8094


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


    WAVPRE:  cpu time      0.0060: real time      0.0629
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0844
    POTLOK:  cpu time      1.9577: real time      1.9688
    EDDIAG:  cpu time    588.8449: real time    593.5658
    CHARGE:  cpu time      0.2648: real time      0.2668
 writing wavefunctions
     LOOP+:  cpu time   8061.9721: real time   8128.1694


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


    POTLOK:  cpu time      0.7277: real time      0.7331
    SETDIJ:  cpu time      1.2485: real time      1.2536
    TRIAL :  cpu time    585.4782: real time    590.2770
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    587.7339: real time    592.5461

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1445885E-03  (-0.7161065E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009032 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.96052793
  -Hartree energ DENC   =      -699.79094975
  -exchange      EXHF   =        33.26241400
  -V(xc)+E(xc)   XCENC  =       -83.54957096
  PAW double counting   =    100969.24585842  -100868.28710009
  entropy T*S    EENTRO =        -0.00534365
  eigenvalues    EBANDS =       -35.31921668
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90199995 eV

  energy without entropy =      -13.89665629  energy(sigma->0) =      -13.90021873
  exchange ACFDT corr.  =        -0.00516549  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7302
    SETDIJ:  cpu time      1.2481: real time      1.2533
    TRIAL :  cpu time    586.5741: real time    591.3845
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2661: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    588.8175: real time    593.6406

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6041993E-04  (-0.7488564E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009051 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.96052793
  -Hartree energ DENC   =      -699.81440426
  -exchange      EXHF   =        33.26243443
  -V(xc)+E(xc)   XCENC  =       -83.54955265
  PAW double counting   =    100968.25147648  -100867.29271798
  entropy T*S    EENTRO =        -0.00533802
  eigenvalues    EBANDS =       -35.29586491
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90206037 eV

  energy without entropy =      -13.89672235  energy(sigma->0) =      -13.90028103
  exchange ACFDT corr.  =        -0.00516293  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7307
    SETDIJ:  cpu time      1.2477: real time      1.2529
    TRIAL :  cpu time    584.5201: real time    589.3110
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    586.7626: real time    591.5663

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6036874E-04  (-0.4532422E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009074 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.96052793
  -Hartree energ DENC   =      -699.82387107
  -exchange      EXHF   =        33.26238596
  -V(xc)+E(xc)   XCENC  =       -83.54955724
  PAW double counting   =    100966.49179239  -100865.53303786
  entropy T*S    EENTRO =        -0.00533209
  eigenvalues    EBANDS =       -35.28640707
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90212073 eV

  energy without entropy =      -13.89678864  energy(sigma->0) =      -13.90034337
  exchange ACFDT corr.  =        -0.00515869  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7301
    SETDIJ:  cpu time      1.2481: real time      1.2535
    TRIAL :  cpu time    586.0605: real time    590.8544
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    588.3034: real time    593.1100

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3498833E-04  (-0.2177816E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009092 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.96052793
  -Hartree energ DENC   =      -699.81952434
  -exchange      EXHF   =        33.26229635
  -V(xc)+E(xc)   XCENC  =       -83.54958208
  PAW double counting   =    100965.04237292  -100864.08364886
  entropy T*S    EENTRO =        -0.00532763
  eigenvalues    EBANDS =       -35.29064981
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215572 eV

  energy without entropy =      -13.89682810  energy(sigma->0) =      -13.90037985
  exchange ACFDT corr.  =        -0.00515433  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2488: real time      1.2540
    TRIAL :  cpu time    586.2835: real time    591.0789
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2663: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    588.5289: real time    593.3371

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1564171E-04  (-0.9249044E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009100 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.96052793
  -Hartree energ DENC   =      -699.81503019
  -exchange      EXHF   =        33.26221616
  -V(xc)+E(xc)   XCENC  =       -83.54960608
  PAW double counting   =    100964.15569996  -100863.19698136
  entropy T*S    EENTRO =        -0.00532458
  eigenvalues    EBANDS =       -35.29505441
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217136 eV

  energy without entropy =      -13.89684679  energy(sigma->0) =      -13.90039650
  exchange ACFDT corr.  =        -0.00515008  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     18(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2470: real time      1.2521
    TRIAL :  cpu time    586.0680: real time    590.8997
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    589.9769: real time    594.7327
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time   1178.2870: real time   1187.8870

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6601069E-05  (-0.4084382E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009099 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.96052793
  -Hartree energ DENC   =      -699.81435165
  -exchange      EXHF   =        33.26213891
  -V(xc)+E(xc)   XCENC  =       -83.54962041
  PAW double counting   =    100964.13065183  -100863.17191413
  entropy T*S    EENTRO =        -0.00532181
  eigenvalues    EBANDS =       -35.29569506
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217797 eV

  energy without entropy =      -13.89685616  energy(sigma->0) =      -13.90040403
  exchange ACFDT corr.  =        -0.00514695  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1398


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8859       2 -69.7736       3 -69.7812       4 -69.7878       5 -69.9093
 
 
 
 E-fermi :   3.1531     XC(G=0):  -5.1205     alpha+bet : -8.9779

 Fermi energy:         3.1530923009

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8902      1.00000
      2      -9.9896      1.00000
      3      -8.6224      1.00000
      4      -6.7608      1.00000
      5      -4.3356      1.00000
      6      -1.5919      1.00000
      7       1.6163      1.00000
      8       4.6272     -0.00000
      9       5.4115     -0.00000
     10       7.9272     -0.00000
     11       7.9882     -0.00000
     12      11.8914      0.00000
     13      12.1832      0.00000
     14      16.0653      0.00000
     15      16.0779      0.00000
     16      16.0970      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3818      1.00000
      7       1.8299      1.00000
      8       4.8101     -0.00000
      9       5.5858     -0.00000
     10       8.0952     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2795      0.00000
     14      13.1216      0.00000
     15      13.8531      0.00000
     16      14.3258      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3818      1.00000
      7       1.8299      1.00000
      8       4.8101     -0.00000
      9       5.5858     -0.00000
     10       8.0952     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2795      0.00000
     14      13.1216      0.00000
     15      13.8531      0.00000
     16      14.3367      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3818      1.00000
      7       1.8299      1.00000
      8       4.8101     -0.00000
      9       5.5858     -0.00000
     10       8.0952     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2795      0.00000
     14      13.1216      0.00000
     15      13.8531      0.00000
     16      14.3256      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0562      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9133      1.00000
      5      -3.4727      1.00000
      6      -0.7525      1.00000
      7       2.4563      1.00001
      8       5.3417     -0.00000
      9       6.1038     -0.00000
     10       8.4794     -0.00000
     11       8.6264      0.00000
     12       9.7300      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5027      0.00000
     16      12.7685      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0562      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9133      1.00000
      5      -3.4727      1.00000
      6      -0.7525      1.00000
      7       2.4563      1.00001
      8       5.3417     -0.00000
      9       6.1038     -0.00000
     10       8.4794     -0.00000
     11       8.6264      0.00000
     12       9.7300      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5035      0.00000
     16      12.7860      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0562      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9133      1.00000
      5      -3.4727      1.00000
      6      -0.7525      1.00000
      7       2.4563      1.00001
      8       5.3417     -0.00000
      9       6.1038     -0.00000
     10       8.4794     -0.00000
     11       8.6264      0.00000
     12       9.7300      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5043      0.00000
     16      12.8248      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0130      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2853      1.00000
      7       3.4144     -0.03448
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8653     -0.00000
     11       7.0506     -0.00000
     12       8.0623     -0.00000
     13       9.4029      0.00000
     14       9.5803      0.00000
     15       9.8046      0.00000
     16      11.5890      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0130      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2853      1.00000
      7       3.4144     -0.03448
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8653     -0.00000
     11       7.0506     -0.00000
     12       8.0623     -0.00000
     13       9.4029      0.00000
     14       9.5803      0.00000
     15       9.8046      0.00000
     16      11.5922      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0130      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2853      1.00000
      7       3.4144     -0.03448
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8653     -0.00000
     11       7.0506     -0.00000
     12       8.0623     -0.00000
     13       9.4029      0.00000
     14       9.5803      0.00000
     15       9.8046      0.00000
     16      11.6038      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5501      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3747      1.00000
      5      -0.9347      1.00000
      6       1.5756      1.00000
      7       2.5483      1.00008
      8       3.5243     -0.01238
      9       4.7987     -0.00000
     10       5.1309     -0.00000
     11       6.5233     -0.00000
     12       7.6499     -0.00000
     13       8.2127     -0.00000
     14       8.7110      0.00000
     15      10.5148      0.00000
     16      10.8249      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5501      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3747      1.00000
      5      -0.9347      1.00000
      6       1.5756      1.00000
      7       2.5483      1.00008
      8       3.5243     -0.01238
      9       4.7987     -0.00000
     10       5.1309     -0.00000
     11       6.5233     -0.00000
     12       7.6499     -0.00000
     13       8.2127     -0.00000
     14       8.7110      0.00000
     15      10.5148      0.00000
     16      10.8238      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5501      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3747      1.00000
      5      -0.9347      1.00000
      6       1.5756      1.00000
      7       2.5483      1.00008
      8       3.5243     -0.01238
      9       4.7987     -0.00000
     10       5.1309     -0.00000
     11       6.5233     -0.00000
     12       7.6499     -0.00000
     13       8.2127     -0.00000
     14       8.7110      0.00000
     15      10.5148      0.00000
     16      10.8250      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6637      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5216      1.00000
      5      -0.6663      1.00000
      6       0.1165      1.00000
      7       1.1138      1.00000
      8       2.0151      1.00000
      9       3.6477     -0.00130
     10       3.7427     -0.00012
     11       5.9334     -0.00000
     12       6.7067     -0.00000
     13       8.2338     -0.00000
     14       9.1945      0.00000
     15       9.7524      0.00000
     16      10.5088      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6637      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5216      1.00000
      5      -0.6663      1.00000
      6       0.1165      1.00000
      7       1.1138      1.00000
      8       2.0151      1.00000
      9       3.6477     -0.00130
     10       3.7427     -0.00012
     11       5.9334     -0.00000
     12       6.7067     -0.00000
     13       8.2338     -0.00000
     14       9.1945      0.00000
     15       9.7524      0.00000
     16      10.4033      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6637      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5216      1.00000
      5      -0.6663      1.00000
      6       0.1165      1.00000
      7       1.1138      1.00000
      8       2.0151      1.00000
      9       3.6477     -0.00130
     10       3.7427     -0.00012
     11       5.9334     -0.00000
     12       6.7067     -0.00000
     13       8.2338     -0.00000
     14       9.1945      0.00000
     15       9.7524      0.00000
     16      10.4116      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3433      1.00000
      3      -2.4487      1.00000
      4      -2.4347      1.00000
      5      -1.2972      1.00000
      6      -0.9039      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3856     -0.03482
     10       3.5245     -0.01226
     11       5.6747     -0.00000
     12       6.0164     -0.00000
     13       8.4055     -0.00000
     14       8.8608      0.00000
     15      10.2349      0.00000
     16      10.5367      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3433      1.00000
      3      -2.4487      1.00000
      4      -2.4347      1.00000
      5      -1.2972      1.00000
      6      -0.9039      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3856     -0.03482
     10       3.5245     -0.01226
     11       5.6747     -0.00000
     12       6.0164     -0.00000
     13       8.4055     -0.00000
     14       8.8608      0.00000
     15      10.2349      0.00000
     16      10.5368      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3433      1.00000
      3      -2.4487      1.00000
      4      -2.4347      1.00000
      5      -1.2972      1.00000
      6      -0.9039      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3856     -0.03482
     10       3.5245     -0.01226
     11       5.6747     -0.00000
     12       6.0164     -0.00000
     13       8.4055     -0.00000
     14       8.8608      0.00000
     15      10.2349      0.00000
     16      10.5366      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2647      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9620      1.00000
      7       2.2503      1.00000
      8       5.1691     -0.00000
      9       5.9325     -0.00000
     10       8.4199     -0.00000
     11       8.4616     -0.00000
     12      11.4295      0.00000
     13      11.4447      0.00000
     14      11.8853      0.00000
     15      12.0136      0.00000
     16      12.6452      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2647      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9620      1.00000
      7       2.2503      1.00000
      8       5.1691     -0.00000
      9       5.9325     -0.00000
     10       8.4199     -0.00000
     11       8.4616     -0.00000
     12      11.4295      0.00000
     13      11.4448      0.00000
     14      11.8854      0.00000
     15      12.0136      0.00000
     16      12.6379      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2647      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9620      1.00000
      7       2.2503      1.00000
      8       5.1691     -0.00000
      9       5.9325     -0.00000
     10       8.4199     -0.00000
     11       8.4616     -0.00000
     12      11.4295      0.00000
     13      11.4447      0.00000
     14      11.8854      0.00000
     15      12.0138      0.00000
     16      12.6450      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0734      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0372      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5968      0.00000
     16      10.2163      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5966      0.00000
     16      10.2009      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0413      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.6024      0.00000
     16      10.0785      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1943     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1943     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1943     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1239      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1943     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1943     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1943     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1008      0.00000
     16       9.1239      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6958      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6960      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6942      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6941      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6964      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3867      1.00000
      2      -7.4777      1.00000
      3      -6.0974      1.00000
      4      -4.2188      1.00000
      5      -1.7630      1.00000
      6       0.8997      1.00000
      7       3.9549     -0.00000
      8       6.0182     -0.00000
      9       6.4952     -0.00000
     10       7.2279     -0.00000
     11       7.3179     -0.00000
     12       7.4867     -0.00000
     13       7.6009     -0.00000
     14       8.3741     -0.00000
     15       8.7403      0.00000
     16      10.0504      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3867      1.00000
      2      -7.4777      1.00000
      3      -6.0974      1.00000
      4      -4.2188      1.00000
      5      -1.7630      1.00000
      6       0.8997      1.00000
      7       3.9549     -0.00000
      8       6.0182     -0.00000
      9       6.4952     -0.00000
     10       7.2279     -0.00000
     11       7.3179     -0.00000
     12       7.4867     -0.00000
     13       7.6009     -0.00000
     14       8.3741     -0.00000
     15       8.7403      0.00000
     16      10.0589      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3867      1.00000
      2      -7.4777      1.00000
      3      -6.0974      1.00000
      4      -4.2188      1.00000
      5      -1.7630      1.00000
      6       0.8997      1.00000
      7       3.9549     -0.00000
      8       6.0182     -0.00000
      9       6.4952     -0.00000
     10       7.2279     -0.00000
     11       7.3179     -0.00000
     12       7.4867     -0.00000
     13       7.6009     -0.00000
     14       8.3741     -0.00000
     15       8.7403      0.00000
     16      10.0537      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7564      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7565      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7564      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7564      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7565      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7563      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8406      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8430      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8416      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8635      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8753      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8767      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7394      1.00000
      2      -2.7173      1.00000
      3      -1.8230      1.00000
      4      -1.8147      1.00000
      5      -0.6831      1.00000
      6      -0.2907      1.00000
      7       1.2398      1.00000
      8       1.9733      1.00000
      9       3.7741     -0.00005
     10       3.9023     -0.00000
     11       4.7194     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6973      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7394      1.00000
      2      -2.7173      1.00000
      3      -1.8230      1.00000
      4      -1.8147      1.00000
      5      -0.6831      1.00000
      6      -0.2907      1.00000
      7       1.2398      1.00000
      8       1.9733      1.00000
      9       3.7741     -0.00005
     10       3.9023     -0.00000
     11       4.7194     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6878      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7394      1.00000
      2      -2.7173      1.00000
      3      -1.8230      1.00000
      4      -1.8147      1.00000
      5      -0.6831      1.00000
      6      -0.2907      1.00000
      7       1.2398      1.00000
      8       1.9733      1.00000
      9       3.7741     -0.00005
     10       3.9023     -0.00000
     11       4.7194     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6866      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2464      1.00000
      2      -4.3271      1.00000
      3      -2.9400      1.00000
      4      -1.0855      1.00000
      5       1.1504      1.00000
      6       2.1008      1.00000
      7       2.2641      1.00000
      8       2.9857      0.99897
      9       3.4398     -0.03051
     10       4.2257     -0.00000
     11       4.4854     -0.00000
     12       4.8523     -0.00000
     13       6.2100     -0.00000
     14       6.8508     -0.00000
     15       7.2502     -0.00000
     16       8.6847      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2464      1.00000
      2      -4.3271      1.00000
      3      -2.9400      1.00000
      4      -1.0855      1.00000
      5       1.1504      1.00000
      6       2.1008      1.00000
      7       2.2641      1.00000
      8       2.9857      0.99897
      9       3.4398     -0.03051
     10       4.2257     -0.00000
     11       4.4854     -0.00000
     12       4.8523     -0.00000
     13       6.2100     -0.00000
     14       6.8508     -0.00000
     15       7.2502     -0.00000
     16       8.6899      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2464      1.00000
      2      -4.3271      1.00000
      3      -2.9400      1.00000
      4      -1.0855      1.00000
      5       1.1504      1.00000
      6       2.1008      1.00000
      7       2.2641      1.00000
      8       2.9857      0.99897
      9       3.4398     -0.03051
     10       4.2257     -0.00000
     11       4.4854     -0.00000
     12       4.8523     -0.00000
     13       6.2100     -0.00000
     14       6.8508     -0.00000
     15       7.2502     -0.00000
     16       8.6919      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38717
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2256     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2348     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2289     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2284     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2281     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38717
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.3812     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8763      1.00000
      2      -0.8591      1.00000
      3      -0.8341      1.00000
      4      -0.0221      1.00000
      5       0.0465      1.00000
      6       0.0633      1.00000
      7       1.0895      1.00000
      8       1.0926      1.00000
      9       1.7913      1.00000
     10       2.6811      1.00211
     11       4.0823     -0.00000
     12       4.1091     -0.00000
     13       5.9724     -0.00000
     14       6.0028     -0.00000
     15       6.0576     -0.00000
     16       8.0133     -0.00000
 Fermi energy:         3.1530923009

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8902      1.00000
      2      -9.9896      1.00000
      3      -8.6224      1.00000
      4      -6.7608      1.00000
      5      -4.3356      1.00000
      6      -1.5919      1.00000
      7       1.6163      1.00000
      8       4.6272     -0.00000
      9       5.4115     -0.00000
     10       7.9272     -0.00000
     11       7.9882     -0.00000
     12      11.8914      0.00000
     13      12.1832      0.00000
     14      16.0647      0.00000
     15      16.0847      0.00000
     16      16.1994      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3818      1.00000
      7       1.8299      1.00000
      8       4.8101     -0.00000
      9       5.5858     -0.00000
     10       8.0952     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2795      0.00000
     14      13.1216      0.00000
     15      13.8531      0.00000
     16      14.3245      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3818      1.00000
      7       1.8299      1.00000
      8       4.8101     -0.00000
      9       5.5858     -0.00000
     10       8.0952     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2795      0.00000
     14      13.1216      0.00000
     15      13.8531      0.00000
     16      14.3243      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7805      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1196      1.00000
      6      -1.3818      1.00000
      7       1.8299      1.00000
      8       4.8101     -0.00000
      9       5.5858     -0.00000
     10       8.0952     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2795      0.00000
     14      13.1216      0.00000
     15      13.8531      0.00000
     16      14.3252      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0562      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9133      1.00000
      5      -3.4727      1.00000
      6      -0.7525      1.00000
      7       2.4563      1.00001
      8       5.3417     -0.00000
      9       6.1037     -0.00000
     10       8.4794     -0.00000
     11       8.6264      0.00000
     12       9.7300      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5056      0.00000
     16      12.8189      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0562      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9133      1.00000
      5      -3.4727      1.00000
      6      -0.7525      1.00000
      7       2.4563      1.00001
      8       5.3417     -0.00000
      9       6.1037     -0.00000
     10       8.4794     -0.00000
     11       8.6264      0.00000
     12       9.7300      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5028      0.00000
     16      12.7684      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0562      1.00000
      2      -9.1530      1.00000
      3      -7.7815      1.00000
      4      -5.9133      1.00000
      5      -3.4727      1.00000
      6      -0.7525      1.00000
      7       2.4563      1.00001
      8       5.3417     -0.00000
      9       6.1037     -0.00000
     10       8.4794     -0.00000
     11       8.6264      0.00000
     12       9.7300      0.00000
     13      10.2725      0.00000
     14      11.3741      0.00000
     15      12.5039      0.00000
     16      12.7955      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0130      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2853      1.00000
      7       3.4144     -0.03448
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8653     -0.00000
     11       7.0506     -0.00000
     12       8.0623     -0.00000
     13       9.4029      0.00000
     14       9.5803      0.00000
     15       9.8046      0.00000
     16      11.5900      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0130      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2853      1.00000
      7       3.4144     -0.03448
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8653     -0.00000
     11       7.0506     -0.00000
     12       8.0623     -0.00000
     13       9.4029      0.00000
     14       9.5803      0.00000
     15       9.8046      0.00000
     16      11.6013      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0130      1.00000
      2      -8.1063      1.00000
      3      -6.7293      1.00000
      4      -4.8540      1.00000
      5      -2.4008      1.00000
      6       0.2853      1.00000
      7       3.4144     -0.03448
      8       5.6451     -0.00000
      9       6.5427     -0.00000
     10       6.8653     -0.00000
     11       7.0506     -0.00000
     12       8.0623     -0.00000
     13       9.4029      0.00000
     14       9.5803      0.00000
     15       9.8046      0.00000
     16      11.5937      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5501      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3747      1.00000
      5      -0.9347      1.00000
      6       1.5756      1.00000
      7       2.5483      1.00008
      8       3.5243     -0.01238
      9       4.7987     -0.00000
     10       5.1309     -0.00000
     11       6.5233     -0.00000
     12       7.6499     -0.00000
     13       8.2127     -0.00000
     14       8.7110      0.00000
     15      10.5146      0.00000
     16      10.8252      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5501      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3747      1.00000
      5      -0.9347      1.00000
      6       1.5756      1.00000
      7       2.5483      1.00008
      8       3.5243     -0.01238
      9       4.7987     -0.00000
     10       5.1309     -0.00000
     11       6.5233     -0.00000
     12       7.6499     -0.00000
     13       8.2127     -0.00000
     14       8.7110      0.00000
     15      10.5153      0.00000
     16      10.8275      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5501      1.00000
      2      -6.6378      1.00000
      3      -5.2539      1.00000
      4      -3.3747      1.00000
      5      -0.9347      1.00000
      6       1.5756      1.00000
      7       2.5483      1.00008
      8       3.5243     -0.01238
      9       4.7987     -0.00000
     10       5.1309     -0.00000
     11       6.5233     -0.00000
     12       7.6499     -0.00000
     13       8.2127     -0.00000
     14       8.7110      0.00000
     15      10.5151      0.00000
     16      10.8268      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6637      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5216      1.00000
      5      -0.6663      1.00000
      6       0.1165      1.00000
      7       1.1138      1.00000
      8       2.0151      1.00000
      9       3.6477     -0.00130
     10       3.7427     -0.00012
     11       5.9334     -0.00000
     12       6.7067     -0.00000
     13       8.2338     -0.00000
     14       9.1945      0.00000
     15       9.7524      0.00000
     16      10.4142      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6637      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5216      1.00000
      5      -0.6663      1.00000
      6       0.1165      1.00000
      7       1.1138      1.00000
      8       2.0151      1.00000
      9       3.6477     -0.00130
     10       3.7427     -0.00012
     11       5.9334     -0.00000
     12       6.7067     -0.00000
     13       8.2338     -0.00000
     14       9.1945      0.00000
     15       9.7524      0.00000
     16      10.4281      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6637      1.00000
      2      -4.7452      1.00000
      3      -3.3603      1.00000
      4      -1.5216      1.00000
      5      -0.6663      1.00000
      6       0.1165      1.00000
      7       1.1138      1.00000
      8       2.0151      1.00000
      9       3.6477     -0.00130
     10       3.7427     -0.00012
     11       5.9334     -0.00000
     12       6.7067     -0.00000
     13       8.2338     -0.00000
     14       9.1945      0.00000
     15       9.7524      0.00000
     16      10.4313      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3433      1.00000
      3      -2.4487      1.00000
      4      -2.4347      1.00000
      5      -1.2972      1.00000
      6      -0.9039      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3856     -0.03482
     10       3.5245     -0.01226
     11       5.6747     -0.00000
     12       6.0164     -0.00000
     13       8.4055     -0.00000
     14       8.8608      0.00000
     15      10.2351      0.00000
     16      10.5378      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3433      1.00000
      3      -2.4487      1.00000
      4      -2.4347      1.00000
      5      -1.2972      1.00000
      6      -0.9039      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3856     -0.03482
     10       3.5245     -0.01226
     11       5.6747     -0.00000
     12       6.0164     -0.00000
     13       8.4055     -0.00000
     14       8.8608      0.00000
     15      10.2349      0.00000
     16      10.5368      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3433      1.00000
      3      -2.4487      1.00000
      4      -2.4347      1.00000
      5      -1.2972      1.00000
      6      -0.9039      1.00000
      7       0.6393      1.00000
      8       1.3815      1.00000
      9       3.3856     -0.03482
     10       3.5245     -0.01226
     11       5.6747     -0.00000
     12       6.0164     -0.00000
     13       8.4055     -0.00000
     14       8.8608      0.00000
     15      10.2350      0.00000
     16      10.5367      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2647      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9620      1.00000
      7       2.2503      1.00000
      8       5.1691     -0.00000
      9       5.9325     -0.00000
     10       8.4199     -0.00000
     11       8.4616     -0.00000
     12      11.4295      0.00000
     13      11.4447      0.00000
     14      11.8853      0.00000
     15      12.0137      0.00000
     16      12.6387      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2647      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9620      1.00000
      7       2.2503      1.00000
      8       5.1691     -0.00000
      9       5.9325     -0.00000
     10       8.4199     -0.00000
     11       8.4616     -0.00000
     12      11.4295      0.00000
     13      11.4447      0.00000
     14      11.8854      0.00000
     15      12.0138      0.00000
     16      12.6316      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2647      1.00000
      2      -9.3622      1.00000
      3      -7.9918      1.00000
      4      -6.1252      1.00000
      5      -3.6882      1.00000
      6      -0.9620      1.00000
      7       2.2503      1.00000
      8       5.1691     -0.00000
      9       5.9325     -0.00000
     10       8.4199     -0.00000
     11       8.4616     -0.00000
     12      11.4295      0.00000
     13      11.4447      0.00000
     14      11.8853      0.00000
     15      12.0155      0.00000
     16      12.6925      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85971
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85971
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85972
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85971
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4304      1.00000
      2      -8.5252      1.00000
      3      -7.1504      1.00000
      4      -5.2777      1.00000
      5      -2.8283      1.00000
      6      -0.1267      1.00000
      7       3.0561      0.85971
      8       5.8210     -0.00000
      9       6.6011     -0.00000
     10       7.8599     -0.00000
     11       8.5858     -0.00000
     12       9.0028      0.00000
     13       9.4206      0.00000
     14       9.8328      0.00000
     15      10.1819      0.00000
     16      10.7182      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0404      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0691      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0491      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0484      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5969      0.00000
     16      10.2633      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1776      1.00000
      2      -7.2678      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5533      1.00000
      6       1.0915      1.00000
      7       3.8115     -0.00002
      8       4.6811     -0.00000
      9       5.4031     -0.00000
     10       6.5072     -0.00000
     11       7.0857     -0.00000
     12       7.6968     -0.00000
     13       8.1799     -0.00000
     14       8.8988      0.00000
     15       9.5965      0.00000
     16      10.0714      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1944     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1008      0.00000
     16       9.1240      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1944     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1944     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1008      0.00000
     16       9.1239      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1944     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1944     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1239      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5033      1.00000
      2      -5.5872      1.00000
      3      -4.2004      1.00000
      4      -2.3281      1.00000
      5       0.0162      1.00000
      6       1.0017      1.00000
      7       1.9768      1.00000
      8       2.9855      0.99895
      9       3.5206     -0.01301
     10       5.1944     -0.00000
     11       5.9021     -0.00000
     12       7.3265     -0.00000
     13       7.9803     -0.00000
     14       8.6511      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6941      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6957      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6958      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6945      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6941      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4042      1.00000
      2      -3.4854      1.00000
      3      -2.1171      1.00000
      4      -1.8925      1.00000
      5      -1.0418      1.00000
      6      -0.3609      1.00000
      7       0.6412      1.00000
      8       2.2894      1.00000
      9       2.6640      1.00148
     10       4.7328     -0.00000
     11       4.9052     -0.00000
     12       7.0258     -0.00000
     13       7.4887     -0.00000
     14       8.0158     -0.00000
     15       8.8377      0.00000
     16       9.6990      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3867      1.00000
      2      -7.4777      1.00000
      3      -6.0974      1.00000
      4      -4.2188      1.00000
      5      -1.7630      1.00000
      6       0.8997      1.00000
      7       3.9549     -0.00000
      8       6.0182     -0.00000
      9       6.4952     -0.00000
     10       7.2279     -0.00000
     11       7.3179     -0.00000
     12       7.4867     -0.00000
     13       7.6009     -0.00000
     14       8.3741     -0.00000
     15       8.7403      0.00000
     16      10.0546      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3867      1.00000
      2      -7.4777      1.00000
      3      -6.0974      1.00000
      4      -4.2188      1.00000
      5      -1.7630      1.00000
      6       0.8997      1.00000
      7       3.9549     -0.00000
      8       6.0182     -0.00000
      9       6.4952     -0.00000
     10       7.2279     -0.00000
     11       7.3179     -0.00000
     12       7.4867     -0.00000
     13       7.6009     -0.00000
     14       8.3741     -0.00000
     15       8.7403      0.00000
     16      10.0485      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3867      1.00000
      2      -7.4777      1.00000
      3      -6.0974      1.00000
      4      -4.2188      1.00000
      5      -1.7630      1.00000
      6       0.8997      1.00000
      7       3.9549     -0.00000
      8       6.0182     -0.00000
      9       6.4952     -0.00000
     10       7.2279     -0.00000
     11       7.3179     -0.00000
     12       7.4867     -0.00000
     13       7.6009     -0.00000
     14       8.3741     -0.00000
     15       8.7403      0.00000
     16      10.0579      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7563      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7564      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7564      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7564      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7563      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9230      1.00000
      2      -6.0083      1.00000
      3      -4.6219      1.00000
      4      -2.7429      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1371      0.56670
      8       4.0991     -0.00000
      9       5.0885     -0.00000
     10       5.3551     -0.00000
     11       5.9056     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7600     -0.00000
     15       8.4136     -0.00000
     16       8.7565      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8446      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8310      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8436      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8490      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8558      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.1162      1.00000
      3      -2.7320      1.00000
      4      -0.9037      1.00000
      5      -0.0497      1.00000
      6       0.7185      1.00000
      7       1.7045      1.00000
      8       2.5869      1.00023
      9       4.0704     -0.00000
     10       4.2692     -0.00000
     11       4.8691     -0.00000
     12       5.7271     -0.00000
     13       6.6239     -0.00000
     14       7.3952     -0.00000
     15       7.5218     -0.00000
     16       8.8690      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7394      1.00000
      2      -2.7173      1.00000
      3      -1.8230      1.00000
      4      -1.8148      1.00000
      5      -0.6831      1.00000
      6      -0.2907      1.00000
      7       1.2398      1.00000
      8       1.9733      1.00000
      9       3.7741     -0.00005
     10       3.9023     -0.00000
     11       4.7194     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6765      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7394      1.00000
      2      -2.7173      1.00000
      3      -1.8230      1.00000
      4      -1.8147      1.00000
      5      -0.6831      1.00000
      6      -0.2907      1.00000
      7       1.2398      1.00000
      8       1.9733      1.00000
      9       3.7741     -0.00005
     10       3.9023     -0.00000
     11       4.7194     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6763      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7394      1.00000
      2      -2.7173      1.00000
      3      -1.8230      1.00000
      4      -1.8147      1.00000
      5      -0.6831      1.00000
      6      -0.2907      1.00000
      7       1.2398      1.00000
      8       1.9733      1.00000
      9       3.7741     -0.00005
     10       3.9023     -0.00000
     11       4.7194     -0.00000
     12       5.7542     -0.00000
     13       6.3934     -0.00000
     14       6.7524     -0.00000
     15       7.1234     -0.00000
     16       8.6818      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2464      1.00000
      2      -4.3271      1.00000
      3      -2.9400      1.00000
      4      -1.0855      1.00000
      5       1.1504      1.00000
      6       2.1008      1.00000
      7       2.2641      1.00000
      8       2.9857      0.99897
      9       3.4398     -0.03051
     10       4.2257     -0.00000
     11       4.4854     -0.00000
     12       4.8523     -0.00000
     13       6.2100     -0.00000
     14       6.8508     -0.00000
     15       7.2502     -0.00000
     16       8.6869      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2464      1.00000
      2      -4.3271      1.00000
      3      -2.9400      1.00000
      4      -1.0855      1.00000
      5       1.1504      1.00000
      6       2.1008      1.00000
      7       2.2641      1.00000
      8       2.9857      0.99897
      9       3.4398     -0.03051
     10       4.2257     -0.00000
     11       4.4854     -0.00000
     12       4.8523     -0.00000
     13       6.2100     -0.00000
     14       6.8508     -0.00000
     15       7.2502     -0.00000
     16       8.6849      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2464      1.00000
      2      -4.3271      1.00000
      3      -2.9400      1.00000
      4      -1.0855      1.00000
      5       1.1504      1.00000
      6       2.1008      1.00000
      7       2.2641      1.00000
      8       2.9857      0.99897
      9       3.4398     -0.03051
     10       4.2257     -0.00000
     11       4.4854     -0.00000
     12       4.8523     -0.00000
     13       6.2100     -0.00000
     14       6.8508     -0.00000
     15       7.2502     -0.00000
     16       8.6864      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8307      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2275     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2312     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38715
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2298     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8307      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38715
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2392     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2294     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1480      1.00000
      2      -2.2328      1.00000
      3      -0.8796      1.00000
      4      -0.6472      1.00000
      5       0.1815      1.00000
      6       0.8202      1.00000
      7       1.7569      1.00000
      8       1.8306      1.00000
      9       2.5539      1.00010
     10       3.1800      0.38716
     11       4.1324     -0.00000
     12       4.6574     -0.00000
     13       6.0476     -0.00000
     14       6.1517     -0.00000
     15       6.3674     -0.00000
     16       8.2369     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8763      1.00000
      2      -0.8591      1.00000
      3      -0.8341      1.00000
      4      -0.0221      1.00000
      5       0.0465      1.00000
      6       0.0633      1.00000
      7       1.0895      1.00000
      8       1.0926      1.00000
      9       1.7913      1.00000
     10       2.6811      1.00211
     11       4.0823     -0.00000
     12       4.1091     -0.00000
     13       5.9724     -0.00000
     14       6.0028     -0.00000
     15       6.0576     -0.00000
     16       8.0150     -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   1.881  -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  13.768   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   1.881  -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
115.778 -61.840   0.000  -0.081  -0.000  -0.000  -0.023   0.000
-61.840  33.031  -0.000   0.034   0.000   0.000   0.014  -0.000
  0.000  -0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.081   0.034  -0.000   1.744   0.000   0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
 -0.000   0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014   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
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   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      0.0019
    FORHF :  cpu time    423.5981: real time    426.6028
    FORNL :  cpu time      0.5016: real time      0.5068
    FORCOR:  cpu time      1.9621: real time      1.9731
    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
 -----------------------------------------------------------------------------------------------
   -.212E-05 -.163E-05 0.183E+03   0.439E-13 0.280E-13 -.182E+03   0.219E-05 0.524E-06 -.125E+01
   -.732E-06 0.154E-05 0.912E+02   -.345E-15 0.121E-14 -.912E+02   0.352E-06 -.938E-06 0.145E+00
   -.853E-06 0.508E-05 -.655E+00   -.140E-12 -.792E-13 0.646E+00   0.227E-05 -.104E-05 0.106E-01
   0.482E-05 0.599E-05 -.924E+02   0.130E-12 0.766E-13 0.923E+02   -.480E-05 -.794E-05 0.104E+00
   -.614E-05 -.731E-05 -.181E+03   -.430E-13 -.235E-13 0.180E+03   0.604E-05 0.832E-05 0.100E+01
 -----------------------------------------------------------------------------------------------
   -.584E-05 0.320E-05 -.137E-01   -.971E-14 0.313E-14 0.284E-13   0.605E-05 -.107E-05 0.104E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000002     -0.120893
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.106401
      1.42873      0.82488      4.65690         0.000001      0.000003      0.001477
      2.85746      1.64976      6.98195         0.000000     -0.000002      0.004659
      0.00000      0.00000      9.36701        -0.000000      0.000000      0.008356
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000002     -0.003383


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90217797 eV

  energy  without entropy=      -13.89685616  energy(sigma->0) =      -13.90040403
 
 d Force = 0.3693099E-04[ 0.225E-04, 0.513E-04]  d Energy = 0.3141612E-04 0.551E-05
 d Force = 0.3837144E+00[ 0.384E+00, 0.384E+00]  d Ewald  = 0.3837144E+00-0.694E-08


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


    POTLOK:  cpu time      1.9678: real time      1.9789


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.452E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   6.1985
 eigenvalue spectrum of G is  6.1985


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


    WAVPRE:  cpu time      0.0060: real time      0.0721
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0846
    POTLOK:  cpu time      1.9608: real time      1.9724
    EDDIAG:  cpu time    589.5875: real time    594.3638
    CHARGE:  cpu time      0.2655: real time      0.2674
 writing wavefunctions
     LOOP+:  cpu time   5139.3006: real time   5181.5575


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


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2434: real time      1.2486
    TRIAL :  cpu time    584.5236: real time    589.3418
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    586.7713: real time    591.6031

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4955058E-05  (-0.6897109E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009118 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.85840963
  -Hartree energ DENC   =      -699.70402642
  -exchange      EXHF   =        33.26160567
  -V(xc)+E(xc)   XCENC  =       -83.54979589
  PAW double counting   =    100962.34639132  -100861.38760539
  entropy T*S    EENTRO =        -0.00529179
  eigenvalues    EBANDS =       -35.30323920
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216641 eV

  energy without entropy =      -13.89687462  energy(sigma->0) =      -13.90040248
  exchange ACFDT corr.  =        -0.00511659  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7305
    SETDIJ:  cpu time      1.2431: real time      1.2483
    TRIAL :  cpu time    584.6035: real time    589.4396
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2651: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    586.8415: real time    591.6902

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3695604E-05  (-0.5751942E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009116 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.85840963
  -Hartree energ DENC   =      -699.71440455
  -exchange      EXHF   =        33.26158602
  -V(xc)+E(xc)   XCENC  =       -83.54979847
  PAW double counting   =    100962.71689581  -100861.75810848
  entropy T*S    EENTRO =        -0.00529094
  eigenvalues    EBANDS =       -35.29283513
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90216271 eV

  energy without entropy =      -13.89687177  energy(sigma->0) =      -13.90039907
  exchange ACFDT corr.  =        -0.00511810  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7303
    SETDIJ:  cpu time      1.2439: real time      1.2490
    TRIAL :  cpu time    590.1432: real time    594.9777
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    592.3821: real time    597.2292

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2277314E-04  (-0.1480312E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009114 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.85840963
  -Hartree energ DENC   =      -699.72100523
  -exchange      EXHF   =        33.26157545
  -V(xc)+E(xc)   XCENC  =       -83.54980084
  PAW double counting   =    100963.56657097  -100862.60780535
  entropy T*S    EENTRO =        -0.00528844
  eigenvalues    EBANDS =       -35.28622343
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90218549 eV

  energy without entropy =      -13.89689705  energy(sigma->0) =      -13.90042267
  exchange ACFDT corr.  =        -0.00511604  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7254: real time      0.7308
    SETDIJ:  cpu time      1.2363: real time      1.2414
    TRIAL :  cpu time    589.6588: real time    594.4685
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    591.8912: real time    596.7134

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8961943E-06  (-0.1197220E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009109 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.85840963
  -Hartree energ DENC   =      -699.71064639
  -exchange      EXHF   =        33.26152790
  -V(xc)+E(xc)   XCENC  =       -83.54981640
  PAW double counting   =    100964.22349622  -100863.26472663
  entropy T*S    EENTRO =        -0.00528618
  eigenvalues    EBANDS =       -35.29652653
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90218638 eV

  energy without entropy =      -13.89690020  energy(sigma->0) =      -13.90042432
  exchange ACFDT corr.  =        -0.00511384  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     19(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7304
    SETDIJ:  cpu time      1.2460: real time      1.2513
    TRIAL :  cpu time    589.5362: real time    594.3346
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    590.6362: real time    595.3523
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time   1182.4144: real time   1191.9416

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8850038E-06  (-0.8048715E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009103 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.85840963
  -Hartree energ DENC   =      -699.70319283
  -exchange      EXHF   =        33.26151425
  -V(xc)+E(xc)   XCENC  =       -83.54982551
  PAW double counting   =    100965.07483649  -100864.11607307
  entropy T*S    EENTRO =        -0.00528456
  eigenvalues    EBANDS =       -35.30393639
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90218727 eV

  energy without entropy =      -13.89690270  energy(sigma->0) =      -13.90042575
  exchange ACFDT corr.  =        -0.00511210  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0691


 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 -69.7832       3 -69.7828       4 -69.7807       5 -69.8975
 
 
 
 E-fermi :   3.1529     XC(G=0):  -5.1206     alpha+bet : -8.9779

 Fermi energy:         3.1529083172

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8914      1.00000
      2      -9.9900      1.00000
      3      -8.6224      1.00000
      4      -6.7611      1.00000
      5      -4.3366      1.00000
      6      -1.5926      1.00000
      7       1.6152      1.00000
      8       4.6268     -0.00000
      9       5.4122     -0.00000
     10       7.9275     -0.00000
     11       7.9882     -0.00000
     12      11.8915      0.00000
     13      12.1832      0.00000
     14      16.0641      0.00000
     15      16.0745      0.00000
     16      16.0913      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6829      1.00000
      2      -9.7809      1.00000
      3      -8.4123      1.00000
      4      -6.5492      1.00000
      5      -4.1206      1.00000
      6      -1.3825      1.00000
      7       1.8288      1.00000
      8       4.8097     -0.00000
      9       5.5865     -0.00000
     10       8.0954     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2794      0.00000
     14      13.1204      0.00000
     15      13.8525      0.00000
     16      14.3243      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6829      1.00000
      2      -9.7809      1.00000
      3      -8.4123      1.00000
      4      -6.5492      1.00000
      5      -4.1206      1.00000
      6      -1.3825      1.00000
      7       1.8288      1.00000
      8       4.8097     -0.00000
      9       5.5865     -0.00000
     10       8.0954     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2794      0.00000
     14      13.1204      0.00000
     15      13.8526      0.00000
     16      14.3339      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6829      1.00000
      2      -9.7809      1.00000
      3      -8.4123      1.00000
      4      -6.5492      1.00000
      5      -4.1206      1.00000
      6      -1.3825      1.00000
      7       1.8288      1.00000
      8       4.8097     -0.00000
      9       5.5865     -0.00000
     10       8.0954     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2794      0.00000
     14      13.1204      0.00000
     15      13.8526      0.00000
     16      14.3242      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -9.1534      1.00000
      3      -7.7816      1.00000
      4      -5.9136      1.00000
      5      -3.4737      1.00000
      6      -0.7532      1.00000
      7       2.4553      1.00000
      8       5.3413     -0.00000
      9       6.1044     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7288      0.00000
     13      10.2723      0.00000
     14      11.3741      0.00000
     15      12.5026      0.00000
     16      12.7681      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -9.1534      1.00000
      3      -7.7816      1.00000
      4      -5.9136      1.00000
      5      -3.4737      1.00000
      6      -0.7532      1.00000
      7       2.4553      1.00000
      8       5.3413     -0.00000
      9       6.1044     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7288      0.00000
     13      10.2723      0.00000
     14      11.3741      0.00000
     15      12.5034      0.00000
     16      12.7848      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -9.1534      1.00000
      3      -7.7816      1.00000
      4      -5.9136      1.00000
      5      -3.4737      1.00000
      6      -0.7532      1.00000
      7       2.4553      1.00000
      8       5.3413     -0.00000
      9       6.1044     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7288      0.00000
     13      10.2723      0.00000
     14      11.3741      0.00000
     15      12.5041      0.00000
     16      12.8227      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0142      1.00000
      2      -8.1067      1.00000
      3      -6.7293      1.00000
      4      -4.8542      1.00000
      5      -2.4017      1.00000
      6       0.2847      1.00000
      7       3.4134     -0.03457
      8       5.6443     -0.00000
      9       6.5424     -0.00000
     10       6.8647     -0.00000
     11       7.0512     -0.00000
     12       8.0623     -0.00000
     13       9.4031      0.00000
     14       9.5802      0.00000
     15       9.8045      0.00000
     16      11.5881      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0142      1.00000
      2      -8.1067      1.00000
      3      -6.7293      1.00000
      4      -4.8542      1.00000
      5      -2.4017      1.00000
      6       0.2847      1.00000
      7       3.4134     -0.03457
      8       5.6443     -0.00000
      9       6.5424     -0.00000
     10       6.8647     -0.00000
     11       7.0512     -0.00000
     12       8.0623     -0.00000
     13       9.4031      0.00000
     14       9.5802      0.00000
     15       9.8045      0.00000
     16      11.5912      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0142      1.00000
      2      -8.1067      1.00000
      3      -6.7293      1.00000
      4      -4.8542      1.00000
      5      -2.4017      1.00000
      6       0.2847      1.00000
      7       3.4134     -0.03457
      8       5.6443     -0.00000
      9       6.5424     -0.00000
     10       6.8647     -0.00000
     11       7.0512     -0.00000
     12       8.0623     -0.00000
     13       9.4031      0.00000
     14       9.5802      0.00000
     15       9.8045      0.00000
     16      11.6023      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6382      1.00000
      3      -5.2539      1.00000
      4      -3.3750      1.00000
      5      -0.9356      1.00000
      6       1.5750      1.00000
      7       2.5474      1.00008
      8       3.5238     -0.01233
      9       4.7987     -0.00000
     10       5.1301     -0.00000
     11       6.5232     -0.00000
     12       7.6495     -0.00000
     13       8.2133     -0.00000
     14       8.7102      0.00000
     15      10.5149      0.00000
     16      10.8246      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6382      1.00000
      3      -5.2539      1.00000
      4      -3.3750      1.00000
      5      -0.9356      1.00000
      6       1.5750      1.00000
      7       2.5474      1.00008
      8       3.5238     -0.01233
      9       4.7987     -0.00000
     10       5.1301     -0.00000
     11       6.5232     -0.00000
     12       7.6495     -0.00000
     13       8.2133     -0.00000
     14       8.7102      0.00000
     15      10.5149      0.00000
     16      10.8237      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6382      1.00000
      3      -5.2539      1.00000
      4      -3.3750      1.00000
      5      -0.9356      1.00000
      6       1.5750      1.00000
      7       2.5474      1.00008
      8       3.5238     -0.01233
      9       4.7987     -0.00000
     10       5.1301     -0.00000
     11       6.5232     -0.00000
     12       7.6495     -0.00000
     13       8.2133     -0.00000
     14       8.7102      0.00000
     15      10.5148      0.00000
     16      10.8249      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6649      1.00000
      2      -4.7456      1.00000
      3      -3.3603      1.00000
      4      -1.5219      1.00000
      5      -0.6674      1.00000
      6       0.1161      1.00000
      7       1.1133      1.00000
      8       2.0149      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00012
     11       5.9326     -0.00000
     12       6.7060     -0.00000
     13       8.2332     -0.00000
     14       9.1942      0.00000
     15       9.7531      0.00000
     16      10.5008      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6649      1.00000
      2      -4.7456      1.00000
      3      -3.3603      1.00000
      4      -1.5219      1.00000
      5      -0.6674      1.00000
      6       0.1161      1.00000
      7       1.1133      1.00000
      8       2.0149      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00012
     11       5.9326     -0.00000
     12       6.7060     -0.00000
     13       8.2332     -0.00000
     14       9.1942      0.00000
     15       9.7531      0.00000
     16      10.4020      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6649      1.00000
      2      -4.7456      1.00000
      3      -3.3603      1.00000
      4      -1.5219      1.00000
      5      -0.6674      1.00000
      6       0.1161      1.00000
      7       1.1133      1.00000
      8       2.0149      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00012
     11       5.9326     -0.00000
     12       6.7060     -0.00000
     13       8.2332     -0.00000
     14       9.1942      0.00000
     15       9.7531      0.00000
     16      10.4095      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3666      1.00000
      2      -3.3443      1.00000
      3      -2.4493      1.00000
      4      -2.4350      1.00000
      5      -1.2971      1.00000
      6      -0.9038      1.00000
      7       0.6393      1.00000
      8       1.3813      1.00000
      9       3.3850     -0.03480
     10       3.5234     -0.01235
     11       5.6743     -0.00000
     12       6.0157     -0.00000
     13       8.4048     -0.00000
     14       8.8602      0.00000
     15      10.2337      0.00000
     16      10.5361      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3666      1.00000
      2      -3.3443      1.00000
      3      -2.4493      1.00000
      4      -2.4350      1.00000
      5      -1.2971      1.00000
      6      -0.9038      1.00000
      7       0.6393      1.00000
      8       1.3813      1.00000
      9       3.3850     -0.03480
     10       3.5234     -0.01235
     11       5.6743     -0.00000
     12       6.0157     -0.00000
     13       8.4048     -0.00000
     14       8.8602      0.00000
     15      10.2338      0.00000
     16      10.5362      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3666      1.00000
      2      -3.3443      1.00000
      3      -2.4493      1.00000
      4      -2.4350      1.00000
      5      -1.2971      1.00000
      6      -0.9038      1.00000
      7       0.6393      1.00000
      8       1.3813      1.00000
      9       3.3850     -0.03480
     10       3.5234     -0.01235
     11       5.6743     -0.00000
     12       6.0157     -0.00000
     13       8.4048     -0.00000
     14       8.8602      0.00000
     15      10.2337      0.00000
     16      10.5360      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2659      1.00000
      2      -9.3626      1.00000
      3      -7.9919      1.00000
      4      -6.1255      1.00000
      5      -3.6891      1.00000
      6      -0.9627      1.00000
      7       2.2493      1.00000
      8       5.1687     -0.00000
      9       5.9332     -0.00000
     10       8.4202     -0.00000
     11       8.4616     -0.00000
     12      11.4278      0.00000
     13      11.4439      0.00000
     14      11.8854      0.00000
     15      12.0132      0.00000
     16      12.6442      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2659      1.00000
      2      -9.3626      1.00000
      3      -7.9919      1.00000
      4      -6.1255      1.00000
      5      -3.6891      1.00000
      6      -0.9627      1.00000
      7       2.2493      1.00000
      8       5.1687     -0.00000
      9       5.9332     -0.00000
     10       8.4202     -0.00000
     11       8.4616     -0.00000
     12      11.4278      0.00000
     13      11.4439      0.00000
     14      11.8855      0.00000
     15      12.0132      0.00000
     16      12.6368      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2659      1.00000
      2      -9.3626      1.00000
      3      -7.9919      1.00000
      4      -6.1255      1.00000
      5      -3.6891      1.00000
      6      -0.9627      1.00000
      7       2.2493      1.00000
      8       5.1687     -0.00000
      9       5.9332     -0.00000
     10       8.4202     -0.00000
     11       8.4616     -0.00000
     12      11.4278      0.00000
     13      11.4439      0.00000
     14      11.8855      0.00000
     15      12.0136      0.00000
     16      12.6452      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7181      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7181      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5961      0.00000
     16      10.0684      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0362      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8980      0.00000
     15       9.5963      0.00000
     16      10.2100      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8980      0.00000
     15       9.5961      0.00000
     16      10.1937      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0401      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8980      0.00000
     15       9.6002      0.00000
     16      10.0727      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1007      0.00000
     16       9.1241      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6954      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6990      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8371      0.00000
     16       9.6958      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6941      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6940      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6960      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4781      1.00000
      3      -6.0974      1.00000
      4      -4.2191      1.00000
      5      -1.7639      1.00000
      6       0.8991      1.00000
      7       3.9541     -0.00000
      8       6.0174     -0.00000
      9       6.4943     -0.00000
     10       7.2274     -0.00000
     11       7.3176     -0.00000
     12       7.4858     -0.00000
     13       7.6016     -0.00000
     14       8.3744     -0.00000
     15       8.7402      0.00000
     16      10.0501      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4781      1.00000
      3      -6.0974      1.00000
      4      -4.2191      1.00000
      5      -1.7639      1.00000
      6       0.8991      1.00000
      7       3.9541     -0.00000
      8       6.0174     -0.00000
      9       6.4943     -0.00000
     10       7.2274     -0.00000
     11       7.3176     -0.00000
     12       7.4858     -0.00000
     13       7.6016     -0.00000
     14       8.3744     -0.00000
     15       8.7402      0.00000
     16      10.0587      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4781      1.00000
      3      -6.0974      1.00000
      4      -4.2191      1.00000
      5      -1.7639      1.00000
      6       0.8991      1.00000
      7       3.9541     -0.00000
      8       6.0174     -0.00000
      9       6.4943     -0.00000
     10       7.2274     -0.00000
     11       7.3176     -0.00000
     12       7.4858     -0.00000
     13       7.6016     -0.00000
     14       8.3744     -0.00000
     15       8.7402      0.00000
     16      10.0540      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7569      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7571      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56483
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7570      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7570      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56483
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7571      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7569      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8394      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8428      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8411      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8625      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8743      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8755      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7408      1.00000
      2      -2.7183      1.00000
      3      -1.8235      1.00000
      4      -1.8150      1.00000
      5      -0.6829      1.00000
      6      -0.2907      1.00000
      7       1.2397      1.00000
      8       1.9730      1.00000
      9       3.7733     -0.00005
     10       3.9013     -0.00000
     11       4.7186     -0.00000
     12       5.7538     -0.00000
     13       6.3929     -0.00000
     14       6.7516     -0.00000
     15       7.1234     -0.00000
     16       8.6950      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7408      1.00000
      2      -2.7183      1.00000
      3      -1.8235      1.00000
      4      -1.8150      1.00000
      5      -0.6829      1.00000
      6      -0.2907      1.00000
      7       1.2397      1.00000
      8       1.9730      1.00000
      9       3.7733     -0.00005
     10       3.9013     -0.00000
     11       4.7186     -0.00000
     12       5.7538     -0.00000
     13       6.3929     -0.00000
     14       6.7516     -0.00000
     15       7.1234     -0.00000
     16       8.6864      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7408      1.00000
      2      -2.7183      1.00000
      3      -1.8235      1.00000
      4      -1.8150      1.00000
      5      -0.6829      1.00000
      6      -0.2907      1.00000
      7       1.2397      1.00000
      8       1.9730      1.00000
      9       3.7733     -0.00005
     10       3.9013     -0.00000
     11       4.7186     -0.00000
     12       5.7538     -0.00000
     13       6.3929     -0.00000
     14       6.7516     -0.00000
     15       7.1234     -0.00000
     16       8.6853      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2476      1.00000
      2      -4.3275      1.00000
      3      -2.9400      1.00000
      4      -1.0857      1.00000
      5       1.1494      1.00000
      6       2.0995      1.00000
      7       2.2636      1.00000
      8       2.9854      0.99853
      9       3.4392     -0.03044
     10       4.2258     -0.00000
     11       4.4849     -0.00000
     12       4.8522     -0.00000
     13       6.2099     -0.00000
     14       6.8505     -0.00000
     15       7.2495     -0.00000
     16       8.6839      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2476      1.00000
      2      -4.3275      1.00000
      3      -2.9400      1.00000
      4      -1.0857      1.00000
      5       1.1494      1.00000
      6       2.0995      1.00000
      7       2.2636      1.00000
      8       2.9854      0.99853
      9       3.4392     -0.03044
     10       4.2259     -0.00000
     11       4.4849     -0.00000
     12       4.8522     -0.00000
     13       6.2099     -0.00000
     14       6.8505     -0.00000
     15       7.2495     -0.00000
     16       8.6889      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2476      1.00000
      2      -4.3275      1.00000
      3      -2.9400      1.00000
      4      -1.0857      1.00000
      5       1.1494      1.00000
      6       2.0995      1.00000
      7       2.2636      1.00000
      8       2.9854      0.99853
      9       3.4392     -0.03044
     10       4.2259     -0.00000
     11       4.4849     -0.00000
     12       4.8522     -0.00000
     13       6.2099     -0.00000
     14       6.8505     -0.00000
     15       7.2495     -0.00000
     16       8.6908      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38634
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2251     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38633
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2333     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38634
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2283     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38634
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2275     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38634
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2274     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38634
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.3775     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8785      1.00000
      2      -0.8593      1.00000
      3      -0.8352      1.00000
      4      -0.0222      1.00000
      5       0.0443      1.00000
      6       0.0644      1.00000
      7       1.0874      1.00000
      8       1.0953      1.00000
      9       1.7914      1.00000
     10       2.6809      1.00213
     11       4.0866     -0.00000
     12       4.1044     -0.00000
     13       5.9724     -0.00000
     14       6.0014     -0.00000
     15       6.0566     -0.00000
     16       8.0129     -0.00000
 Fermi energy:         3.1529083172

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8914      1.00000
      2      -9.9900      1.00000
      3      -8.6224      1.00000
      4      -6.7611      1.00000
      5      -4.3366      1.00000
      6      -1.5926      1.00000
      7       1.6152      1.00000
      8       4.6268     -0.00000
      9       5.4122     -0.00000
     10       7.9275     -0.00000
     11       7.9882     -0.00000
     12      11.8915      0.00000
     13      12.1832      0.00000
     14      16.0635      0.00000
     15      16.0810      0.00000
     16      16.1895      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6829      1.00000
      2      -9.7809      1.00000
      3      -8.4123      1.00000
      4      -6.5492      1.00000
      5      -4.1206      1.00000
      6      -1.3825      1.00000
      7       1.8288      1.00000
      8       4.8097     -0.00000
      9       5.5865     -0.00000
     10       8.0954     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2794      0.00000
     14      13.1204      0.00000
     15      13.8526      0.00000
     16      14.3233      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6829      1.00000
      2      -9.7809      1.00000
      3      -8.4123      1.00000
      4      -6.5492      1.00000
      5      -4.1206      1.00000
      6      -1.3825      1.00000
      7       1.8288      1.00000
      8       4.8097     -0.00000
      9       5.5865     -0.00000
     10       8.0954     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2794      0.00000
     14      13.1204      0.00000
     15      13.8526      0.00000
     16      14.3231      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6829      1.00000
      2      -9.7809      1.00000
      3      -8.4123      1.00000
      4      -6.5492      1.00000
      5      -4.1206      1.00000
      6      -1.3825      1.00000
      7       1.8288      1.00000
      8       4.8097     -0.00000
      9       5.5865     -0.00000
     10       8.0954     -0.00000
     11       8.1532     -0.00000
     12      12.0199      0.00000
     13      12.2794      0.00000
     14      13.1204      0.00000
     15      13.8526      0.00000
     16      14.3239      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -9.1534      1.00000
      3      -7.7816      1.00000
      4      -5.9136      1.00000
      5      -3.4737      1.00000
      6      -0.7532      1.00000
      7       2.4553      1.00000
      8       5.3413     -0.00000
      9       6.1044     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7288      0.00000
     13      10.2723      0.00000
     14      11.3741      0.00000
     15      12.5054      0.00000
     16      12.8164      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -9.1534      1.00000
      3      -7.7816      1.00000
      4      -5.9136      1.00000
      5      -3.4737      1.00000
      6      -0.7532      1.00000
      7       2.4553      1.00000
      8       5.3413     -0.00000
      9       6.1044     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7288      0.00000
     13      10.2723      0.00000
     14      11.3741      0.00000
     15      12.5027      0.00000
     16      12.7681      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0574      1.00000
      2      -9.1534      1.00000
      3      -7.7816      1.00000
      4      -5.9136      1.00000
      5      -3.4737      1.00000
      6      -0.7532      1.00000
      7       2.4553      1.00000
      8       5.3413     -0.00000
      9       6.1044     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7288      0.00000
     13      10.2723      0.00000
     14      11.3741      0.00000
     15      12.5037      0.00000
     16      12.7938      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0142      1.00000
      2      -8.1067      1.00000
      3      -6.7293      1.00000
      4      -4.8542      1.00000
      5      -2.4017      1.00000
      6       0.2847      1.00000
      7       3.4134     -0.03457
      8       5.6443     -0.00000
      9       6.5424     -0.00000
     10       6.8647     -0.00000
     11       7.0512     -0.00000
     12       8.0623     -0.00000
     13       9.4031      0.00000
     14       9.5802      0.00000
     15       9.8045      0.00000
     16      11.5891      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0142      1.00000
      2      -8.1067      1.00000
      3      -6.7293      1.00000
      4      -4.8542      1.00000
      5      -2.4017      1.00000
      6       0.2847      1.00000
      7       3.4134     -0.03457
      8       5.6443     -0.00000
      9       6.5424     -0.00000
     10       6.8647     -0.00000
     11       7.0512     -0.00000
     12       8.0623     -0.00000
     13       9.4031      0.00000
     14       9.5802      0.00000
     15       9.8045      0.00000
     16      11.5999      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0142      1.00000
      2      -8.1067      1.00000
      3      -6.7293      1.00000
      4      -4.8542      1.00000
      5      -2.4017      1.00000
      6       0.2847      1.00000
      7       3.4134     -0.03457
      8       5.6443     -0.00000
      9       6.5424     -0.00000
     10       6.8647     -0.00000
     11       7.0512     -0.00000
     12       8.0623     -0.00000
     13       9.4031      0.00000
     14       9.5802      0.00000
     15       9.8045      0.00000
     16      11.5926      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6382      1.00000
      3      -5.2539      1.00000
      4      -3.3750      1.00000
      5      -0.9356      1.00000
      6       1.5750      1.00000
      7       2.5474      1.00008
      8       3.5238     -0.01233
      9       4.7987     -0.00000
     10       5.1301     -0.00000
     11       6.5232     -0.00000
     12       7.6495     -0.00000
     13       8.2133     -0.00000
     14       8.7102      0.00000
     15      10.5146      0.00000
     16      10.8251      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6382      1.00000
      3      -5.2539      1.00000
      4      -3.3750      1.00000
      5      -0.9356      1.00000
      6       1.5750      1.00000
      7       2.5474      1.00008
      8       3.5238     -0.01233
      9       4.7987     -0.00000
     10       5.1301     -0.00000
     11       6.5232     -0.00000
     12       7.6495     -0.00000
     13       8.2133     -0.00000
     14       8.7102      0.00000
     15      10.5153      0.00000
     16      10.8274      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6382      1.00000
      3      -5.2539      1.00000
      4      -3.3750      1.00000
      5      -0.9356      1.00000
      6       1.5750      1.00000
      7       2.5474      1.00008
      8       3.5238     -0.01233
      9       4.7987     -0.00000
     10       5.1301     -0.00000
     11       6.5232     -0.00000
     12       7.6495     -0.00000
     13       8.2133     -0.00000
     14       8.7102      0.00000
     15      10.5151      0.00000
     16      10.8266      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6649      1.00000
      2      -4.7456      1.00000
      3      -3.3603      1.00000
      4      -1.5219      1.00000
      5      -0.6674      1.00000
      6       0.1161      1.00000
      7       1.1133      1.00000
      8       2.0149      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00012
     11       5.9326     -0.00000
     12       6.7060     -0.00000
     13       8.2332     -0.00000
     14       9.1942      0.00000
     15       9.7531      0.00000
     16      10.4118      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6649      1.00000
      2      -4.7456      1.00000
      3      -3.3603      1.00000
      4      -1.5219      1.00000
      5      -0.6674      1.00000
      6       0.1161      1.00000
      7       1.1133      1.00000
      8       2.0149      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00012
     11       5.9326     -0.00000
     12       6.7060     -0.00000
     13       8.2332     -0.00000
     14       9.1942      0.00000
     15       9.7531      0.00000
     16      10.4244      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6649      1.00000
      2      -4.7456      1.00000
      3      -3.3603      1.00000
      4      -1.5219      1.00000
      5      -0.6674      1.00000
      6       0.1161      1.00000
      7       1.1133      1.00000
      8       2.0149      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00012
     11       5.9326     -0.00000
     12       6.7060     -0.00000
     13       8.2332     -0.00000
     14       9.1942      0.00000
     15       9.7531      0.00000
     16      10.4274      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3666      1.00000
      2      -3.3443      1.00000
      3      -2.4493      1.00000
      4      -2.4350      1.00000
      5      -1.2971      1.00000
      6      -0.9038      1.00000
      7       0.6393      1.00000
      8       1.3813      1.00000
      9       3.3850     -0.03480
     10       3.5234     -0.01235
     11       5.6743     -0.00000
     12       6.0157     -0.00000
     13       8.4048     -0.00000
     14       8.8602      0.00000
     15      10.2340      0.00000
     16      10.5370      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3666      1.00000
      2      -3.3443      1.00000
      3      -2.4493      1.00000
      4      -2.4350      1.00000
      5      -1.2971      1.00000
      6      -0.9038      1.00000
      7       0.6393      1.00000
      8       1.3813      1.00000
      9       3.3850     -0.03480
     10       3.5234     -0.01235
     11       5.6743     -0.00000
     12       6.0157     -0.00000
     13       8.4048     -0.00000
     14       8.8602      0.00000
     15      10.2337      0.00000
     16      10.5362      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3666      1.00000
      2      -3.3443      1.00000
      3      -2.4493      1.00000
      4      -2.4350      1.00000
      5      -1.2971      1.00000
      6      -0.9038      1.00000
      7       0.6393      1.00000
      8       1.3813      1.00000
      9       3.3850     -0.03480
     10       3.5234     -0.01235
     11       5.6743     -0.00000
     12       6.0157     -0.00000
     13       8.4048     -0.00000
     14       8.8602      0.00000
     15      10.2336      0.00000
     16      10.5361      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2659      1.00000
      2      -9.3626      1.00000
      3      -7.9919      1.00000
      4      -6.1255      1.00000
      5      -3.6891      1.00000
      6      -0.9627      1.00000
      7       2.2493      1.00000
      8       5.1687     -0.00000
      9       5.9332     -0.00000
     10       8.4202     -0.00000
     11       8.4616     -0.00000
     12      11.4278      0.00000
     13      11.4439      0.00000
     14      11.8854      0.00000
     15      12.0134      0.00000
     16      12.6385      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2659      1.00000
      2      -9.3626      1.00000
      3      -7.9919      1.00000
      4      -6.1255      1.00000
      5      -3.6891      1.00000
      6      -0.9627      1.00000
      7       2.2493      1.00000
      8       5.1687     -0.00000
      9       5.9332     -0.00000
     10       8.4202     -0.00000
     11       8.4616     -0.00000
     12      11.4278      0.00000
     13      11.4439      0.00000
     14      11.8855      0.00000
     15      12.0133      0.00000
     16      12.6305      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2659      1.00000
      2      -9.3626      1.00000
      3      -7.9919      1.00000
      4      -6.1255      1.00000
      5      -3.6891      1.00000
      6      -0.9627      1.00000
      7       2.2493      1.00000
      8       5.1687     -0.00000
      9       5.9332     -0.00000
     10       8.4202     -0.00000
     11       8.4616     -0.00000
     12      11.4278      0.00000
     13      11.4439      0.00000
     14      11.8854      0.00000
     15      12.0147      0.00000
     16      12.6900      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7181      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.5256      1.00000
      3      -7.1504      1.00000
      4      -5.2779      1.00000
      5      -2.8292      1.00000
      6      -0.1274      1.00000
      7       3.0552      0.86261
      8       5.8206     -0.00000
      9       6.6018     -0.00000
     10       7.8590     -0.00000
     11       8.5853     -0.00000
     12       9.0028      0.00000
     13       9.4204      0.00000
     14       9.8327      0.00000
     15      10.1808      0.00000
     16      10.7180      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0392      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0643      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0464      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0458      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5964      0.00000
     16      10.2625      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1788      1.00000
      2      -7.2682      1.00000
      3      -5.8866      1.00000
      4      -4.0077      1.00000
      5      -1.5542      1.00000
      6       1.0909      1.00000
      7       3.8107     -0.00002
      8       4.6801     -0.00000
      9       5.4027     -0.00000
     10       6.5071     -0.00000
     11       7.0854     -0.00000
     12       7.6974     -0.00000
     13       8.1796     -0.00000
     14       8.8979      0.00000
     15       9.5960      0.00000
     16      10.0668      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1007      0.00000
     16       9.1240      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1007      0.00000
     16       9.1241      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1007      0.00000
     16       9.1241      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5045      1.00000
      2      -5.5876      1.00000
      3      -4.2004      1.00000
      4      -2.3283      1.00000
      5       0.0153      1.00000
      6       1.0007      1.00000
      7       1.9765      1.00000
      8       2.9849      0.99895
      9       3.5206     -0.01298
     10       5.1941     -0.00000
     11       5.9014     -0.00000
     12       7.3256     -0.00000
     13       7.9795     -0.00000
     14       8.6507      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6940      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6953      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6955      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6943      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6940      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4054      1.00000
      2      -3.4858      1.00000
      3      -2.1171      1.00000
      4      -1.8937      1.00000
      5      -1.0422      1.00000
      6      -0.3610      1.00000
      7       0.6412      1.00000
      8       2.2891      1.00000
      9       2.6634      1.00148
     10       4.7320     -0.00000
     11       4.9045     -0.00000
     12       7.0252     -0.00000
     13       7.4879     -0.00000
     14       8.0151     -0.00000
     15       8.8370      0.00000
     16       9.6986      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4781      1.00000
      3      -6.0974      1.00000
      4      -4.2191      1.00000
      5      -1.7639      1.00000
      6       0.8991      1.00000
      7       3.9541     -0.00000
      8       6.0174     -0.00000
      9       6.4943     -0.00000
     10       7.2274     -0.00000
     11       7.3176     -0.00000
     12       7.4858     -0.00000
     13       7.6016     -0.00000
     14       8.3744     -0.00000
     15       8.7402      0.00000
     16      10.0540      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4781      1.00000
      3      -6.0974      1.00000
      4      -4.2191      1.00000
      5      -1.7639      1.00000
      6       0.8991      1.00000
      7       3.9541     -0.00000
      8       6.0174     -0.00000
      9       6.4943     -0.00000
     10       7.2274     -0.00000
     11       7.3176     -0.00000
     12       7.4858     -0.00000
     13       7.6016     -0.00000
     14       8.3744     -0.00000
     15       8.7402      0.00000
     16      10.0485      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4781      1.00000
      3      -6.0974      1.00000
      4      -4.2191      1.00000
      5      -1.7639      1.00000
      6       0.8991      1.00000
      7       3.9541     -0.00000
      8       6.0174     -0.00000
      9       6.4943     -0.00000
     10       7.2274     -0.00000
     11       7.3176     -0.00000
     12       7.4858     -0.00000
     13       7.6016     -0.00000
     14       8.3744     -0.00000
     15       8.7402      0.00000
     16      10.0581      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7569      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7570      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56483
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7570      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7570      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56483
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7569      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -6.0087      1.00000
      3      -4.6219      1.00000
      4      -2.7432      1.00000
      5      -0.3154      1.00000
      6       2.1600      1.00000
      7       3.1363      0.56484
      8       4.0986     -0.00000
      9       5.0877     -0.00000
     10       5.3551     -0.00000
     11       5.9046     -0.00000
     12       6.4792     -0.00000
     13       7.0125     -0.00000
     14       7.7599     -0.00000
     15       8.4133     -0.00000
     16       8.7571      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8437      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8302      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8434      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8486      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8556      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0369      1.00000
      2      -4.1166      1.00000
      3      -2.7320      1.00000
      4      -0.9039      1.00000
      5      -0.0509      1.00000
      6       0.7181      1.00000
      7       1.7040      1.00000
      8       2.5867      1.00023
      9       4.0701     -0.00000
     10       4.2686     -0.00000
     11       4.8683     -0.00000
     12       5.7265     -0.00000
     13       6.6235     -0.00000
     14       7.3950     -0.00000
     15       7.5210     -0.00000
     16       8.8679      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7408      1.00000
      2      -2.7183      1.00000
      3      -1.8235      1.00000
      4      -1.8150      1.00000
      5      -0.6829      1.00000
      6      -0.2907      1.00000
      7       1.2397      1.00000
      8       1.9730      1.00000
      9       3.7733     -0.00005
     10       3.9013     -0.00000
     11       4.7186     -0.00000
     12       5.7538     -0.00000
     13       6.3929     -0.00000
     14       6.7516     -0.00000
     15       7.1234     -0.00000
     16       8.6762      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7408      1.00000
      2      -2.7183      1.00000
      3      -1.8235      1.00000
      4      -1.8150      1.00000
      5      -0.6829      1.00000
      6      -0.2907      1.00000
      7       1.2397      1.00000
      8       1.9730      1.00000
      9       3.7733     -0.00005
     10       3.9013     -0.00000
     11       4.7186     -0.00000
     12       5.7538     -0.00000
     13       6.3929     -0.00000
     14       6.7516     -0.00000
     15       7.1234     -0.00000
     16       8.6760      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7408      1.00000
      2      -2.7183      1.00000
      3      -1.8235      1.00000
      4      -1.8150      1.00000
      5      -0.6829      1.00000
      6      -0.2907      1.00000
      7       1.2397      1.00000
      8       1.9730      1.00000
      9       3.7733     -0.00005
     10       3.9013     -0.00000
     11       4.7186     -0.00000
     12       5.7538     -0.00000
     13       6.3929     -0.00000
     14       6.7516     -0.00000
     15       7.1234     -0.00000
     16       8.6810      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2476      1.00000
      2      -4.3275      1.00000
      3      -2.9400      1.00000
      4      -1.0857      1.00000
      5       1.1494      1.00000
      6       2.0995      1.00000
      7       2.2636      1.00000
      8       2.9854      0.99853
      9       3.4392     -0.03044
     10       4.2258     -0.00000
     11       4.4849     -0.00000
     12       4.8522     -0.00000
     13       6.2099     -0.00000
     14       6.8505     -0.00000
     15       7.2495     -0.00000
     16       8.6860      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2476      1.00000
      2      -4.3275      1.00000
      3      -2.9400      1.00000
      4      -1.0857      1.00000
      5       1.1494      1.00000
      6       2.0995      1.00000
      7       2.2636      1.00000
      8       2.9854      0.99853
      9       3.4392     -0.03044
     10       4.2258     -0.00000
     11       4.4849     -0.00000
     12       4.8522     -0.00000
     13       6.2099     -0.00000
     14       6.8505     -0.00000
     15       7.2495     -0.00000
     16       8.6841      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2476      1.00000
      2      -4.3275      1.00000
      3      -2.9400      1.00000
      4      -1.0857      1.00000
      5       1.1494      1.00000
      6       2.0995      1.00000
      7       2.2636      1.00000
      8       2.9854      0.99853
      9       3.4392     -0.03044
     10       4.2259     -0.00000
     11       4.4849     -0.00000
     12       4.8522     -0.00000
     13       6.2099     -0.00000
     14       6.8505     -0.00000
     15       7.2495     -0.00000
     16       8.6855      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38633
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2269     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38634
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2301     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38633
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2288     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38633
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2376     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38633
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2285     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1492      1.00000
      2      -2.2332      1.00000
      3      -0.8796      1.00000
      4      -0.6484      1.00000
      5       0.1812      1.00000
      6       0.8201      1.00000
      7       1.7559      1.00000
      8       1.8305      1.00000
      9       2.5534      1.00010
     10       3.1801      0.38633
     11       4.1319     -0.00000
     12       4.6571     -0.00000
     13       6.0473     -0.00000
     14       6.1514     -0.00000
     15       6.3666     -0.00000
     16       8.2353     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8785      1.00000
      2      -0.8593      1.00000
      3      -0.8352      1.00000
      4      -0.0222      1.00000
      5       0.0443      1.00000
      6       0.0644      1.00000
      7       1.0874      1.00000
      8       1.0953      1.00000
      9       1.7914      1.00000
     10       2.6809      1.00213
     11       4.0866     -0.00000
     12       4.1044     -0.00000
     13       5.9724     -0.00000
     14       6.0014     -0.00000
     15       6.0566     -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
  8.066  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
115.778 -61.840   0.000  -0.081   0.000  -0.000  -0.023  -0.000
-61.840  33.031  -0.000   0.034  -0.000   0.000   0.014   0.000
  0.000  -0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.081   0.034   0.000   1.744   0.000   0.000  -0.267  -0.000
  0.000  -0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
 -0.000   0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014  -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
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000  -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      0.0019
    FORHF :  cpu time    422.9865: real time    425.9503
    FORNL :  cpu time      0.5032: real time      0.5083
    FORCOR:  cpu time      1.9669: real time      1.9776
    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
 -----------------------------------------------------------------------------------------------
   -.492E-06 0.144E-05 0.183E+03   0.439E-13 0.278E-13 -.182E+03   0.370E-06 -.174E-05 -.125E+01
   0.178E-05 0.824E-06 0.912E+02   0.128E-14 0.412E-14 -.912E+02   -.184E-05 -.685E-06 0.145E+00
   -.162E-06 0.181E-05 -.661E+00   -.144E-12 -.863E-13 0.648E+00   0.138E-06 -.125E-05 0.871E-02
   0.340E-06 0.232E-05 -.924E+02   0.129E-12 0.832E-13 0.923E+02   -.223E-06 -.342E-05 0.104E+00
   -.306E-05 -.476E-05 -.181E+03   -.395E-13 -.257E-13 0.180E+03   0.383E-05 0.571E-05 0.100E+01
 -----------------------------------------------------------------------------------------------
   -.272E-05 0.108E-05 -.193E-01   -.971E-14 0.313E-14 0.284E-13   0.228E-05 -.139E-05 0.659E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.119175
      0.00000      0.00000      2.33311         0.000000      0.000000      0.106333
      1.42873      0.82488      4.65702        -0.000001      0.000000     -0.001734
      2.85746      1.64976      6.98222         0.000000     -0.000001      0.003673
      0.00000      0.00000      9.36744         0.000000      0.000000      0.010902
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.012703


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90218727 eV

  energy  without entropy=      -13.89690270  energy(sigma->0) =      -13.90042575
 
 d Force = 0.5232755E-05[ 0.544E-05, 0.502E-05]  d Energy = 0.9302603E-05-0.407E-05
 d Force = 0.1021183E+00[ 0.102E+00, 0.102E+00]  d Ewald  = 0.1021183E+00-0.216E-11


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


    POTLOK:  cpu time      1.9694: real time      1.9801


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.653E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.4944
 eigenvalue spectrum of G is  0.4944


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


    WAVPRE:  cpu time      0.0060: real time      0.0680
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0837: real time      0.0841
    POTLOK:  cpu time      1.9680: real time      1.9793
    EDDIAG:  cpu time    589.0199: real time    593.7220
    CHARGE:  cpu time      0.2651: real time      0.2671
 writing wavefunctions
     LOOP+:  cpu time   4560.0036: real time   4597.2604


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


    POTLOK:  cpu time      0.7254: real time      0.7309
    SETDIJ:  cpu time      1.2457: real time      1.2509
    TRIAL :  cpu time    588.0479: real time    592.8889
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    590.2979: real time    595.1525

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8249037E-04  (-0.3534298E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009084 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.79268047
  -exchange      EXHF   =        33.26184960
  -V(xc)+E(xc)   XCENC  =       -83.54969976
  PAW double counting   =    100967.97628503  -100867.01756000
  entropy T*S    EENTRO =        -0.00528199
  eigenvalues    EBANDS =       -35.30407757
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210389 eV

  energy without entropy =      -13.89682191  energy(sigma->0) =      -13.90034323
  exchange ACFDT corr.  =        -0.00511198  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2467: real time      1.2524
    TRIAL :  cpu time    584.9321: real time    589.7703
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2661: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    587.1753: real time    592.0266

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3355133E-04  (-0.2872462E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009073 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.79968347
  -exchange      EXHF   =        33.26194243
  -V(xc)+E(xc)   XCENC  =       -83.54967240
  PAW double counting   =    100969.24660179  -100868.28785022
  entropy T*S    EENTRO =        -0.00528240
  eigenvalues    EBANDS =       -35.29718964
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207034 eV

  energy without entropy =      -13.89678794  energy(sigma->0) =      -13.90030954
  exchange ACFDT corr.  =        -0.00511031  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7298
    SETDIJ:  cpu time      1.2459: real time      1.2515
    TRIAL :  cpu time    587.9433: real time    592.7705
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    590.1832: real time    595.0233

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1091583E-03  ( 0.5470631E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009065 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.78977048
  -exchange      EXHF   =        33.26194803
  -V(xc)+E(xc)   XCENC  =       -83.54966868
  PAW double counting   =    100970.03171938  -100869.07298420
  entropy T*S    EENTRO =        -0.00528328
  eigenvalues    EBANDS =       -35.30720430
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217950 eV

  energy without entropy =      -13.89689622  energy(sigma->0) =      -13.90041841
  exchange ACFDT corr.  =        -0.00511173  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7303
    SETDIJ:  cpu time      1.2468: real time      1.2520
    TRIAL :  cpu time    588.8108: real time    593.6028
    CORREC:  cpu time      0.0042: real time      0.0042
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    591.0537: real time    595.8584

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7102950E-05  (-0.5910834E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009057 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.79713497
  -exchange      EXHF   =        33.26199734
  -V(xc)+E(xc)   XCENC  =       -83.54965166
  PAW double counting   =    100971.28655888  -100870.32782261
  entropy T*S    EENTRO =        -0.00528375
  eigenvalues    EBANDS =       -35.29989924
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217240 eV

  energy without entropy =      -13.89688865  energy(sigma->0) =      -13.90041115
  exchange ACFDT corr.  =        -0.00511232  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7254: real time      0.7305
    SETDIJ:  cpu time      1.2458: real time      1.2509
    TRIAL :  cpu time    588.9511: real time    593.7488
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    591.1926: real time    596.0027

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7864437E-06  (-0.3658450E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009048 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.80707089
  -exchange      EXHF   =        33.26204299
  -V(xc)+E(xc)   XCENC  =       -83.54963750
  PAW double counting   =    100972.66542653  -100871.70667871
  entropy T*S    EENTRO =        -0.00528411
  eigenvalues    EBANDS =       -35.29003345
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217161 eV

  energy without entropy =      -13.89688750  energy(sigma->0) =      -13.90041024
  exchange ACFDT corr.  =        -0.00511239  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7254: real time      0.7309
    SETDIJ:  cpu time      1.2456: real time      1.2507
    TRIAL :  cpu time    585.2920: real time    590.1156
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2657: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    587.5333: real time    592.3694

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1511772E-04  ( 0.1103231E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009041 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.80039440
  -exchange      EXHF   =        33.26201371
  -V(xc)+E(xc)   XCENC  =       -83.54964688
  PAW double counting   =    100973.52624205  -100872.56749492
  entropy T*S    EENTRO =        -0.00528425
  eigenvalues    EBANDS =       -35.29668533
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90218673 eV

  energy without entropy =      -13.89690248  energy(sigma->0) =      -13.90042531
  exchange ACFDT corr.  =        -0.00511302  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     20(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7306
    SETDIJ:  cpu time      1.2475: real time      1.2526
    TRIAL :  cpu time    586.4223: real time    591.2220
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    590.9118: real time    595.6251
    CHARGE:  cpu time      0.2644: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time   1179.5760: real time   1189.1015

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1896216E-05  (-0.9473635E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009035 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.94767891
  -Hartree energ DENC   =      -699.79628832
  -exchange      EXHF   =        33.26199450
  -V(xc)+E(xc)   XCENC  =       -83.54965406
  PAW double counting   =    100974.39049813  -100873.43174836
  entropy T*S    EENTRO =        -0.00528444
  eigenvalues    EBANDS =       -35.30076315
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90218483 eV

  energy without entropy =      -13.89690039  energy(sigma->0) =      -13.90042335
  exchange ACFDT corr.  =        -0.00511278  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9127


 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 -69.7822       3 -69.7819       4 -69.7805       5 -69.8987
 
 
 
 E-fermi :   3.1527     XC(G=0):  -5.1205     alpha+bet : -8.9779

 Fermi energy:         3.1526504770

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8911      1.00000
      2      -9.9899      1.00000
      3      -8.6223      1.00000
      4      -6.7609      1.00000
      5      -4.3361      1.00000
      6      -1.5923      1.00000
      7       1.6157      1.00000
      8       4.6272     -0.00000
      9       5.4120     -0.00000
     10       7.9274     -0.00000
     11       7.9883     -0.00000
     12      11.8914      0.00000
     13      12.1834      0.00000
     14      16.0644      0.00000
     15      16.0731      0.00000
     16      16.0865      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7808      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1201      1.00000
      6      -1.3822      1.00000
      7       1.8293      1.00000
      8       4.8100     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1533     -0.00000
     12      12.0198      0.00000
     13      12.2796      0.00000
     14      13.1207      0.00000
     15      13.8527      0.00000
     16      14.3244      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7808      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1201      1.00000
      6      -1.3822      1.00000
      7       1.8293      1.00000
      8       4.8100     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1533     -0.00000
     12      12.0198      0.00000
     13      12.2796      0.00000
     14      13.1207      0.00000
     15      13.8527      0.00000
     16      14.3321      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7808      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1201      1.00000
      6      -1.3822      1.00000
      7       1.8293      1.00000
      8       4.8100     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1533     -0.00000
     12      12.0198      0.00000
     13      12.2796      0.00000
     14      13.1207      0.00000
     15      13.8527      0.00000
     16      14.3243      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1534      1.00000
      3      -7.7815      1.00000
      4      -5.9134      1.00000
      5      -3.4732      1.00000
      6      -0.7529      1.00000
      7       2.4558      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2723      0.00000
     14      11.3742      0.00000
     15      12.5027      0.00000
     16      12.7681      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1534      1.00000
      3      -7.7815      1.00000
      4      -5.9134      1.00000
      5      -3.4732      1.00000
      6      -0.7529      1.00000
      7       2.4558      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2723      0.00000
     14      11.3742      0.00000
     15      12.5033      0.00000
     16      12.7837      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1534      1.00000
      3      -7.7815      1.00000
      4      -5.9134      1.00000
      5      -3.4732      1.00000
      6      -0.7529      1.00000
      7       2.4558      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2723      0.00000
     14      11.3742      0.00000
     15      12.5040      0.00000
     16      12.8207      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.1066      1.00000
      3      -6.7292      1.00000
      4      -4.8540      1.00000
      5      -2.4012      1.00000
      6       0.2850      1.00000
      7       3.4139     -0.03455
      8       5.6445     -0.00000
      9       6.5426     -0.00000
     10       6.8648     -0.00000
     11       7.0510     -0.00000
     12       8.0624     -0.00000
     13       9.4031      0.00000
     14       9.5804      0.00000
     15       9.8046      0.00000
     16      11.5885      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.1066      1.00000
      3      -6.7292      1.00000
      4      -4.8540      1.00000
      5      -2.4012      1.00000
      6       0.2850      1.00000
      7       3.4139     -0.03455
      8       5.6445     -0.00000
      9       6.5426     -0.00000
     10       6.8648     -0.00000
     11       7.0510     -0.00000
     12       8.0624     -0.00000
     13       9.4031      0.00000
     14       9.5804      0.00000
     15       9.8046      0.00000
     16      11.5914      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.1066      1.00000
      3      -6.7292      1.00000
      4      -4.8540      1.00000
      5      -2.4012      1.00000
      6       0.2850      1.00000
      7       3.4139     -0.03455
      8       5.6445     -0.00000
      9       6.5426     -0.00000
     10       6.8648     -0.00000
     11       7.0510     -0.00000
     12       8.0624     -0.00000
     13       9.4031      0.00000
     14       9.5804      0.00000
     15       9.8046      0.00000
     16      11.6017      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5510      1.00000
      2      -6.6382      1.00000
      3      -5.2538      1.00000
      4      -3.3748      1.00000
      5      -0.9351      1.00000
      6       1.5752      1.00000
      7       2.5476      1.00008
      8       3.5239     -0.01236
      9       4.7988     -0.00000
     10       5.1306     -0.00000
     11       6.5234     -0.00000
     12       7.6498     -0.00000
     13       8.2132     -0.00000
     14       8.7106      0.00000
     15      10.5148      0.00000
     16      10.8244      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5510      1.00000
      2      -6.6382      1.00000
      3      -5.2538      1.00000
      4      -3.3748      1.00000
      5      -0.9351      1.00000
      6       1.5752      1.00000
      7       2.5476      1.00008
      8       3.5239     -0.01236
      9       4.7988     -0.00000
     10       5.1306     -0.00000
     11       6.5234     -0.00000
     12       7.6498     -0.00000
     13       8.2132     -0.00000
     14       8.7106      0.00000
     15      10.5148      0.00000
     16      10.8235      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5510      1.00000
      2      -6.6382      1.00000
      3      -5.2538      1.00000
      4      -3.3748      1.00000
      5      -0.9351      1.00000
      6       1.5752      1.00000
      7       2.5476      1.00008
      8       3.5239     -0.01236
      9       4.7988     -0.00000
     10       5.1306     -0.00000
     11       6.5234     -0.00000
     12       7.6498     -0.00000
     13       8.2132     -0.00000
     14       8.7106      0.00000
     15      10.5148      0.00000
     16      10.8248      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6646      1.00000
      2      -4.7455      1.00000
      3      -3.3602      1.00000
      4      -1.5217      1.00000
      5      -0.6672      1.00000
      6       0.1163      1.00000
      7       1.1136      1.00000
      8       2.0151      1.00000
      9       3.6478     -0.00130
     10       3.7423     -0.00012
     11       5.9330     -0.00000
     12       6.7065     -0.00000
     13       8.2335     -0.00000
     14       9.1945      0.00000
     15       9.7529      0.00000
     16      10.4899      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6646      1.00000
      2      -4.7455      1.00000
      3      -3.3602      1.00000
      4      -1.5217      1.00000
      5      -0.6672      1.00000
      6       0.1163      1.00000
      7       1.1136      1.00000
      8       2.0151      1.00000
      9       3.6478     -0.00130
     10       3.7423     -0.00012
     11       5.9330     -0.00000
     12       6.7065     -0.00000
     13       8.2335     -0.00000
     14       9.1945      0.00000
     15       9.7529      0.00000
     16      10.4021      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6646      1.00000
      2      -4.7455      1.00000
      3      -3.3602      1.00000
      4      -1.5217      1.00000
      5      -0.6672      1.00000
      6       0.1163      1.00000
      7       1.1136      1.00000
      8       2.0151      1.00000
      9       3.6478     -0.00130
     10       3.7423     -0.00012
     11       5.9330     -0.00000
     12       6.7065     -0.00000
     13       8.2335     -0.00000
     14       9.1945      0.00000
     15       9.7529      0.00000
     16      10.4084      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3441      1.00000
      3      -2.4492      1.00000
      4      -2.4349      1.00000
      5      -1.2970      1.00000
      6      -0.9038      1.00000
      7       0.6394      1.00000
      8       1.3815      1.00000
      9       3.3853     -0.03483
     10       3.5240     -0.01232
     11       5.6745     -0.00000
     12       6.0161     -0.00000
     13       8.4053     -0.00000
     14       8.8606      0.00000
     15      10.2340      0.00000
     16      10.5363      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3441      1.00000
      3      -2.4492      1.00000
      4      -2.4349      1.00000
      5      -1.2970      1.00000
      6      -0.9038      1.00000
      7       0.6394      1.00000
      8       1.3815      1.00000
      9       3.3853     -0.03483
     10       3.5240     -0.01232
     11       5.6745     -0.00000
     12       6.0161     -0.00000
     13       8.4053     -0.00000
     14       8.8606      0.00000
     15      10.2340      0.00000
     16      10.5364      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3441      1.00000
      3      -2.4492      1.00000
      4      -2.4349      1.00000
      5      -1.2970      1.00000
      6      -0.9038      1.00000
      7       0.6394      1.00000
      8       1.3815      1.00000
      9       3.3853     -0.03483
     10       3.5240     -0.01232
     11       5.6745     -0.00000
     12       6.0161     -0.00000
     13       8.4053     -0.00000
     14       8.8606      0.00000
     15      10.2340      0.00000
     16      10.5363      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3626      1.00000
      3      -7.9918      1.00000
      4      -6.1253      1.00000
      5      -3.6886      1.00000
      6      -0.9624      1.00000
      7       2.2498      1.00000
      8       5.1690     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4441      0.00000
     14      11.8855      0.00000
     15      12.0132      0.00000
     16      12.6432      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3626      1.00000
      3      -7.9918      1.00000
      4      -6.1253      1.00000
      5      -3.6886      1.00000
      6      -0.9624      1.00000
      7       2.2498      1.00000
      8       5.1690     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4442      0.00000
     14      11.8855      0.00000
     15      12.0132      0.00000
     16      12.6359      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3626      1.00000
      3      -7.9918      1.00000
      4      -6.1253      1.00000
      5      -3.6886      1.00000
      6      -0.9624      1.00000
      7       2.2498      1.00000
      8       5.1690     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4441      0.00000
     14      11.8855      0.00000
     15      12.0135      0.00000
     16      12.6442      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0619      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0359      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5964      0.00000
     16      10.1989      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.1816      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0394      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5984      0.00000
     16      10.0654      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1242      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6955      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6987      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6956      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6942      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6942      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6957      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3876      1.00000
      2      -7.4780      1.00000
      3      -6.0973      1.00000
      4      -4.2189      1.00000
      5      -1.7634      1.00000
      6       0.8994      1.00000
      7       3.9545     -0.00000
      8       6.0177     -0.00000
      9       6.4945     -0.00000
     10       7.2275     -0.00000
     11       7.3179     -0.00000
     12       7.4859     -0.00000
     13       7.6014     -0.00000
     14       8.3745     -0.00000
     15       8.7403      0.00000
     16      10.0500      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3876      1.00000
      2      -7.4780      1.00000
      3      -6.0973      1.00000
      4      -4.2189      1.00000
      5      -1.7634      1.00000
      6       0.8994      1.00000
      7       3.9545     -0.00000
      8       6.0177     -0.00000
      9       6.4945     -0.00000
     10       7.2275     -0.00000
     11       7.3179     -0.00000
     12       7.4859     -0.00000
     13       7.6014     -0.00000
     14       8.3745     -0.00000
     15       8.7403      0.00000
     16      10.0585      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3876      1.00000
      2      -7.4780      1.00000
      3      -6.0973      1.00000
      4      -4.2189      1.00000
      5      -1.7634      1.00000
      6       0.8994      1.00000
      7       3.9545     -0.00000
      8       6.0177     -0.00000
      9       6.4945     -0.00000
     10       7.2275     -0.00000
     11       7.3179     -0.00000
     12       7.4859     -0.00000
     13       7.6014     -0.00000
     14       8.3745     -0.00000
     15       8.7403      0.00000
     16      10.0538      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7569      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7569      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8394      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8427      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8409      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8622      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8742      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8753      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7180      1.00000
      3      -1.8234      1.00000
      4      -1.8150      1.00000
      5      -0.6828      1.00000
      6      -0.2906      1.00000
      7       1.2399      1.00000
      8       1.9733      1.00000
      9       3.7736     -0.00005
     10       3.9018     -0.00000
     11       4.7189     -0.00000
     12       5.7539     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1236     -0.00000
     16       8.6929      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7180      1.00000
      3      -1.8234      1.00000
      4      -1.8150      1.00000
      5      -0.6828      1.00000
      6      -0.2906      1.00000
      7       1.2399      1.00000
      8       1.9733      1.00000
      9       3.7736     -0.00005
     10       3.9018     -0.00000
     11       4.7189     -0.00000
     12       5.7539     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1236     -0.00000
     16       8.6853      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7180      1.00000
      3      -1.8234      1.00000
      4      -1.8150      1.00000
      5      -0.6828      1.00000
      6      -0.2906      1.00000
      7       1.2399      1.00000
      8       1.9733      1.00000
      9       3.7736     -0.00005
     10       3.9018     -0.00000
     11       4.7189     -0.00000
     12       5.7539     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1236     -0.00000
     16       8.6844      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.3274      1.00000
      3      -2.9399      1.00000
      4      -1.0855      1.00000
      5       1.1499      1.00000
      6       2.0998      1.00000
      7       2.2637      1.00000
      8       2.9855      0.99873
      9       3.4392     -0.03047
     10       4.2259     -0.00000
     11       4.4852     -0.00000
     12       4.8523     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2501     -0.00000
     16       8.6841      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.3274      1.00000
      3      -2.9399      1.00000
      4      -1.0855      1.00000
      5       1.1499      1.00000
      6       2.0998      1.00000
      7       2.2637      1.00000
      8       2.9855      0.99873
      9       3.4392     -0.03047
     10       4.2259     -0.00000
     11       4.4852     -0.00000
     12       4.8523     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2501     -0.00000
     16       8.6888      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.3274      1.00000
      3      -2.9399      1.00000
      4      -1.0855      1.00000
      5       1.1499      1.00000
      6       2.0998      1.00000
      7       2.2637      1.00000
      8       2.9855      0.99873
      9       3.4392     -0.03047
     10       4.2259     -0.00000
     11       4.4852     -0.00000
     12       4.8523     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2501     -0.00000
     16       8.6906      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2253     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2325     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2283     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2275     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2275     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.3732     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8781      1.00000
      2      -0.8590      1.00000
      3      -0.8350      1.00000
      4      -0.0221      1.00000
      5       0.0445      1.00000
      6       0.0642      1.00000
      7       1.0878      1.00000
      8       1.0951      1.00000
      9       1.7915      1.00000
     10       2.6811      1.00213
     11       4.0864     -0.00000
     12       4.1051     -0.00000
     13       5.9729     -0.00000
     14       6.0017     -0.00000
     15       6.0572     -0.00000
     16       8.0131     -0.00000
 Fermi energy:         3.1526504770

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8911      1.00000
      2      -9.9899      1.00000
      3      -8.6223      1.00000
      4      -6.7609      1.00000
      5      -4.3361      1.00000
      6      -1.5923      1.00000
      7       1.6157      1.00000
      8       4.6272     -0.00000
      9       5.4120     -0.00000
     10       7.9274     -0.00000
     11       7.9883     -0.00000
     12      11.8914      0.00000
     13      12.1834      0.00000
     14      16.0637      0.00000
     15      16.0776      0.00000
     16      16.1777      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7808      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1201      1.00000
      6      -1.3822      1.00000
      7       1.8293      1.00000
      8       4.8100     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1533     -0.00000
     12      12.0198      0.00000
     13      12.2796      0.00000
     14      13.1207      0.00000
     15      13.8527      0.00000
     16      14.3235      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7808      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1201      1.00000
      6      -1.3822      1.00000
      7       1.8293      1.00000
      8       4.8100     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1533     -0.00000
     12      12.0198      0.00000
     13      12.2796      0.00000
     14      13.1207      0.00000
     15      13.8527      0.00000
     16      14.3234      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7808      1.00000
      3      -8.4122      1.00000
      4      -6.5490      1.00000
      5      -4.1201      1.00000
      6      -1.3822      1.00000
      7       1.8293      1.00000
      8       4.8100     -0.00000
      9       5.5863     -0.00000
     10       8.0954     -0.00000
     11       8.1533     -0.00000
     12      12.0198      0.00000
     13      12.2796      0.00000
     14      13.1207      0.00000
     15      13.8527      0.00000
     16      14.3240      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1534      1.00000
      3      -7.7815      1.00000
      4      -5.9134      1.00000
      5      -3.4732      1.00000
      6      -0.7529      1.00000
      7       2.4558      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2723      0.00000
     14      11.3742      0.00000
     15      12.5051      0.00000
     16      12.8137      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1534      1.00000
      3      -7.7815      1.00000
      4      -5.9134      1.00000
      5      -3.4732      1.00000
      6      -0.7529      1.00000
      7       2.4558      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2723      0.00000
     14      11.3742      0.00000
     15      12.5027      0.00000
     16      12.7681      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1534      1.00000
      3      -7.7815      1.00000
      4      -5.9134      1.00000
      5      -3.4732      1.00000
      6      -0.7529      1.00000
      7       2.4558      1.00000
      8       5.3417     -0.00000
      9       6.1042     -0.00000
     10       8.4794     -0.00000
     11       8.6265      0.00000
     12       9.7292      0.00000
     13      10.2723      0.00000
     14      11.3742      0.00000
     15      12.5036      0.00000
     16      12.7920      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.1066      1.00000
      3      -6.7292      1.00000
      4      -4.8540      1.00000
      5      -2.4012      1.00000
      6       0.2850      1.00000
      7       3.4139     -0.03455
      8       5.6445     -0.00000
      9       6.5426     -0.00000
     10       6.8648     -0.00000
     11       7.0510     -0.00000
     12       8.0624     -0.00000
     13       9.4031      0.00000
     14       9.5804      0.00000
     15       9.8046      0.00000
     16      11.5894      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.1066      1.00000
      3      -6.7292      1.00000
      4      -4.8540      1.00000
      5      -2.4012      1.00000
      6       0.2850      1.00000
      7       3.4139     -0.03455
      8       5.6445     -0.00000
      9       6.5426     -0.00000
     10       6.8648     -0.00000
     11       7.0510     -0.00000
     12       8.0624     -0.00000
     13       9.4031      0.00000
     14       9.5804      0.00000
     15       9.8046      0.00000
     16      11.5994      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.1066      1.00000
      3      -6.7292      1.00000
      4      -4.8540      1.00000
      5      -2.4012      1.00000
      6       0.2850      1.00000
      7       3.4139     -0.03455
      8       5.6445     -0.00000
      9       6.5426     -0.00000
     10       6.8648     -0.00000
     11       7.0510     -0.00000
     12       8.0624     -0.00000
     13       9.4031      0.00000
     14       9.5804      0.00000
     15       9.8046      0.00000
     16      11.5927      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5510      1.00000
      2      -6.6382      1.00000
      3      -5.2538      1.00000
      4      -3.3748      1.00000
      5      -0.9351      1.00000
      6       1.5752      1.00000
      7       2.5476      1.00008
      8       3.5239     -0.01236
      9       4.7988     -0.00000
     10       5.1306     -0.00000
     11       6.5234     -0.00000
     12       7.6498     -0.00000
     13       8.2132     -0.00000
     14       8.7106      0.00000
     15      10.5146      0.00000
     16      10.8250      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5510      1.00000
      2      -6.6382      1.00000
      3      -5.2538      1.00000
      4      -3.3748      1.00000
      5      -0.9351      1.00000
      6       1.5752      1.00000
      7       2.5476      1.00008
      8       3.5239     -0.01236
      9       4.7988     -0.00000
     10       5.1306     -0.00000
     11       6.5234     -0.00000
     12       7.6498     -0.00000
     13       8.2132     -0.00000
     14       8.7106      0.00000
     15      10.5152      0.00000
     16      10.8272      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5510      1.00000
      2      -6.6382      1.00000
      3      -5.2538      1.00000
      4      -3.3748      1.00000
      5      -0.9351      1.00000
      6       1.5752      1.00000
      7       2.5476      1.00008
      8       3.5239     -0.01236
      9       4.7988     -0.00000
     10       5.1306     -0.00000
     11       6.5234     -0.00000
     12       7.6498     -0.00000
     13       8.2132     -0.00000
     14       8.7106      0.00000
     15      10.5151      0.00000
     16      10.8264      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6646      1.00000
      2      -4.7455      1.00000
      3      -3.3602      1.00000
      4      -1.5217      1.00000
      5      -0.6672      1.00000
      6       0.1163      1.00000
      7       1.1136      1.00000
      8       2.0151      1.00000
      9       3.6478     -0.00130
     10       3.7423     -0.00012
     11       5.9330     -0.00000
     12       6.7065     -0.00000
     13       8.2335     -0.00000
     14       9.1945      0.00000
     15       9.7529      0.00000
     16      10.4104      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6646      1.00000
      2      -4.7455      1.00000
      3      -3.3602      1.00000
      4      -1.5217      1.00000
      5      -0.6672      1.00000
      6       0.1163      1.00000
      7       1.1136      1.00000
      8       2.0151      1.00000
      9       3.6478     -0.00130
     10       3.7423     -0.00012
     11       5.9330     -0.00000
     12       6.7065     -0.00000
     13       8.2335     -0.00000
     14       9.1945      0.00000
     15       9.7529      0.00000
     16      10.4211      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6646      1.00000
      2      -4.7455      1.00000
      3      -3.3602      1.00000
      4      -1.5217      1.00000
      5      -0.6672      1.00000
      6       0.1163      1.00000
      7       1.1136      1.00000
      8       2.0151      1.00000
      9       3.6478     -0.00130
     10       3.7423     -0.00012
     11       5.9330     -0.00000
     12       6.7065     -0.00000
     13       8.2335     -0.00000
     14       9.1945      0.00000
     15       9.7529      0.00000
     16      10.4236      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3441      1.00000
      3      -2.4492      1.00000
      4      -2.4349      1.00000
      5      -1.2970      1.00000
      6      -0.9038      1.00000
      7       0.6394      1.00000
      8       1.3815      1.00000
      9       3.3853     -0.03483
     10       3.5240     -0.01232
     11       5.6745     -0.00000
     12       6.0161     -0.00000
     13       8.4053     -0.00000
     14       8.8606      0.00000
     15      10.2342      0.00000
     16      10.5370      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3441      1.00000
      3      -2.4492      1.00000
      4      -2.4349      1.00000
      5      -1.2970      1.00000
      6      -0.9038      1.00000
      7       0.6394      1.00000
      8       1.3815      1.00000
      9       3.3853     -0.03483
     10       3.5240     -0.01232
     11       5.6745     -0.00000
     12       6.0161     -0.00000
     13       8.4053     -0.00000
     14       8.8606      0.00000
     15      10.2340      0.00000
     16      10.5364      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3441      1.00000
      3      -2.4492      1.00000
      4      -2.4349      1.00000
      5      -1.2970      1.00000
      6      -0.9038      1.00000
      7       0.6394      1.00000
      8       1.3815      1.00000
      9       3.3853     -0.03483
     10       3.5240     -0.01232
     11       5.6745     -0.00000
     12       6.0161     -0.00000
     13       8.4053     -0.00000
     14       8.8606      0.00000
     15      10.2339      0.00000
     16      10.5364      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3626      1.00000
      3      -7.9918      1.00000
      4      -6.1253      1.00000
      5      -3.6886      1.00000
      6      -0.9624      1.00000
      7       2.2498      1.00000
      8       5.1690     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4441      0.00000
     14      11.8855      0.00000
     15      12.0133      0.00000
     16      12.6378      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3626      1.00000
      3      -7.9918      1.00000
      4      -6.1253      1.00000
      5      -3.6886      1.00000
      6      -0.9624      1.00000
      7       2.2498      1.00000
      8       5.1690     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4441      0.00000
     14      11.8855      0.00000
     15      12.0133      0.00000
     16      12.6302      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3626      1.00000
      3      -7.9918      1.00000
      4      -6.1253      1.00000
      5      -3.6886      1.00000
      6      -0.9624      1.00000
      7       2.2498      1.00000
      8       5.1690     -0.00000
      9       5.9330     -0.00000
     10       8.4201     -0.00000
     11       8.4617     -0.00000
     12      11.4282      0.00000
     13      11.4441      0.00000
     14      11.8854      0.00000
     15      12.0144      0.00000
     16      12.6886      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7180      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4313      1.00000
      2      -8.5255      1.00000
      3      -7.1503      1.00000
      4      -5.2777      1.00000
      5      -2.8288      1.00000
      6      -0.1271      1.00000
      7       3.0557      0.86210
      8       5.8209     -0.00000
      9       6.6016     -0.00000
     10       7.8592     -0.00000
     11       8.5855     -0.00000
     12       9.0028      0.00000
     13       9.4205      0.00000
     14       9.8328      0.00000
     15      10.1811      0.00000
     16      10.7181      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0386      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0585      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0439      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0438      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5965      0.00000
     16      10.2609      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2681      1.00000
      3      -5.8865      1.00000
      4      -4.0075      1.00000
      5      -1.5538      1.00000
      6       1.0912      1.00000
      7       3.8110     -0.00002
      8       4.6803     -0.00000
      9       5.4028     -0.00000
     10       6.5073     -0.00000
     11       7.0856     -0.00000
     12       7.6973     -0.00000
     13       8.1798     -0.00000
     14       8.8982      0.00000
     15       9.5962      0.00000
     16      10.0607      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1007      0.00000
     16       9.1241      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1242      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5042      1.00000
      2      -5.5875      1.00000
      3      -4.2003      1.00000
      4      -2.3281      1.00000
      5       0.0157      1.00000
      6       1.0010      1.00000
      7       1.9766      1.00000
      8       2.9851      0.99889
      9       3.5207     -0.01300
     10       5.1944     -0.00000
     11       5.9019     -0.00000
     12       7.3261     -0.00000
     13       7.9798     -0.00000
     14       8.6510      0.00000
     15       9.1006      0.00000
     16       9.1241      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6942      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6954      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6955      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6945      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6942      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4857      1.00000
      3      -2.1170      1.00000
      4      -1.8935      1.00000
      5      -1.0421      1.00000
      6      -0.3608      1.00000
      7       0.6413      1.00000
      8       2.2893      1.00000
      9       2.6638      1.00148
     10       4.7324     -0.00000
     11       4.9049     -0.00000
     12       7.0255     -0.00000
     13       7.4882     -0.00000
     14       8.0154     -0.00000
     15       8.8373      0.00000
     16       9.6983      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3876      1.00000
      2      -7.4780      1.00000
      3      -6.0973      1.00000
      4      -4.2189      1.00000
      5      -1.7634      1.00000
      6       0.8994      1.00000
      7       3.9545     -0.00000
      8       6.0177     -0.00000
      9       6.4945     -0.00000
     10       7.2275     -0.00000
     11       7.3179     -0.00000
     12       7.4859     -0.00000
     13       7.6014     -0.00000
     14       8.3745     -0.00000
     15       8.7403      0.00000
     16      10.0539      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3876      1.00000
      2      -7.4780      1.00000
      3      -6.0973      1.00000
      4      -4.2189      1.00000
      5      -1.7634      1.00000
      6       0.8994      1.00000
      7       3.9545     -0.00000
      8       6.0177     -0.00000
      9       6.4945     -0.00000
     10       7.2275     -0.00000
     11       7.3179     -0.00000
     12       7.4859     -0.00000
     13       7.6014     -0.00000
     14       8.3745     -0.00000
     15       8.7403      0.00000
     16      10.0484      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3876      1.00000
      2      -7.4780      1.00000
      3      -6.0973      1.00000
      4      -4.2189      1.00000
      5      -1.7634      1.00000
      6       0.8994      1.00000
      7       3.9545     -0.00000
      8       6.0177     -0.00000
      9       6.4945     -0.00000
     10       7.2275     -0.00000
     11       7.3179     -0.00000
     12       7.4859     -0.00000
     13       7.6014     -0.00000
     14       8.3745     -0.00000
     15       8.7403      0.00000
     16      10.0579      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7568      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9239      1.00000
      2      -6.0087      1.00000
      3      -4.6218      1.00000
      4      -2.7429      1.00000
      5      -0.3149      1.00000
      6       2.1603      1.00000
      7       3.1365      0.56579
      8       4.0987     -0.00000
      9       5.0880     -0.00000
     10       5.3552     -0.00000
     11       5.9049     -0.00000
     12       6.4794     -0.00000
     13       7.0127     -0.00000
     14       7.7601     -0.00000
     15       8.4136     -0.00000
     16       8.7569      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8438      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8305      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8433      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8484      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8553      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1165      1.00000
      3      -2.7319      1.00000
      4      -0.9037      1.00000
      5      -0.0506      1.00000
      6       0.7183      1.00000
      7       1.7043      1.00000
      8       2.5868      1.00023
      9       4.0702     -0.00000
     10       4.2690     -0.00000
     11       4.8685     -0.00000
     12       5.7266     -0.00000
     13       6.6237     -0.00000
     14       7.3952     -0.00000
     15       7.5216     -0.00000
     16       8.8676      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7180      1.00000
      3      -1.8234      1.00000
      4      -1.8150      1.00000
      5      -0.6828      1.00000
      6      -0.2906      1.00000
      7       1.2399      1.00000
      8       1.9733      1.00000
      9       3.7736     -0.00005
     10       3.9018     -0.00000
     11       4.7189     -0.00000
     12       5.7539     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1236     -0.00000
     16       8.6764      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7180      1.00000
      3      -1.8234      1.00000
      4      -1.8150      1.00000
      5      -0.6828      1.00000
      6      -0.2906      1.00000
      7       1.2399      1.00000
      8       1.9733      1.00000
      9       3.7736     -0.00005
     10       3.9018     -0.00000
     11       4.7189     -0.00000
     12       5.7539     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1236     -0.00000
     16       8.6763      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7180      1.00000
      3      -1.8234      1.00000
      4      -1.8150      1.00000
      5      -0.6828      1.00000
      6      -0.2906      1.00000
      7       1.2399      1.00000
      8       1.9733      1.00000
      9       3.7736     -0.00005
     10       3.9018     -0.00000
     11       4.7189     -0.00000
     12       5.7539     -0.00000
     13       6.3931     -0.00000
     14       6.7520     -0.00000
     15       7.1236     -0.00000
     16       8.6806      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.3274      1.00000
      3      -2.9399      1.00000
      4      -1.0855      1.00000
      5       1.1499      1.00000
      6       2.0998      1.00000
      7       2.2637      1.00000
      8       2.9855      0.99873
      9       3.4392     -0.03047
     10       4.2259     -0.00000
     11       4.4852     -0.00000
     12       4.8523     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2501     -0.00000
     16       8.6860      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.3274      1.00000
      3      -2.9399      1.00000
      4      -1.0855      1.00000
      5       1.1499      1.00000
      6       2.0998      1.00000
      7       2.2637      1.00000
      8       2.9855      0.99873
      9       3.4392     -0.03047
     10       4.2259     -0.00000
     11       4.4852     -0.00000
     12       4.8523     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2501     -0.00000
     16       8.6843      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.3274      1.00000
      3      -2.9399      1.00000
      4      -1.0855      1.00000
      5       1.1499      1.00000
      6       2.0998      1.00000
      7       2.2637      1.00000
      8       2.9855      0.99873
      9       3.4392     -0.03047
     10       4.2259     -0.00000
     11       4.4852     -0.00000
     12       4.8523     -0.00000
     13       6.2101     -0.00000
     14       6.8508     -0.00000
     15       7.2501     -0.00000
     16       8.6856      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2270     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2296     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38587
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2286     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38587
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2361     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2284     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2331      1.00000
      3      -0.8795      1.00000
      4      -0.6481      1.00000
      5       0.1813      1.00000
      6       0.8203      1.00000
      7       1.7562      1.00000
      8       1.8307      1.00000
      9       2.5535      1.00010
     10       3.1802      0.38588
     11       4.1322     -0.00000
     12       4.6573     -0.00000
     13       6.0475     -0.00000
     14       6.1517     -0.00000
     15       6.3670     -0.00000
     16       8.2342     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8781      1.00000
      2      -0.8590      1.00000
      3      -0.8350      1.00000
      4      -0.0221      1.00000
      5       0.0445      1.00000
      6       0.0642      1.00000
      7       1.0878      1.00000
      8       1.0951      1.00000
      9       1.7915      1.00000
     10       2.6811      1.00213
     11       4.0864     -0.00000
     12       4.1051     -0.00000
     13       5.9729     -0.00000
     14       6.0017     -0.00000
     15       6.0572     -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  13.769   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
115.783 -61.843   0.000  -0.081   0.000  -0.000  -0.023  -0.000
-61.843  33.032  -0.000   0.034  -0.000   0.000   0.014   0.000
  0.000  -0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.081   0.034   0.000   1.744   0.000  -0.000  -0.267  -0.000
  0.000  -0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
 -0.000   0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -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    423.6282: real time    426.5982
    FORNL :  cpu time      0.4998: real time      0.5050
    FORCOR:  cpu time      1.9685: real time      1.9791
    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 0.866E-06 0.183E+03   0.435E-13 0.277E-13 -.182E+03   -.174E-05 -.101E-05 -.125E+01
   0.144E-05 0.247E-05 0.912E+02   0.425E-14 0.476E-14 -.912E+02   -.154E-05 -.234E-05 0.145E+00
   0.124E-05 0.310E-05 -.664E+00   -.147E-12 -.855E-13 0.643E+00   -.181E-05 -.345E-05 0.109E-01
   0.173E-05 0.329E-05 -.924E+02   0.129E-12 0.768E-13 0.923E+02   -.223E-05 -.442E-05 0.108E+00
   -.205E-05 -.405E-05 -.181E+03   -.400E-13 -.207E-13 0.180E+03   0.277E-05 0.447E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.407E-05 0.604E-05 -.429E-01   -.971E-14 0.313E-14 0.000E+00   -.454E-05 -.674E-05 0.183E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.116399
      0.00000      0.00000      2.33311         0.000000      0.000000      0.103184
      1.42873      0.82488      4.65699        -0.000001     -0.000001     -0.005983
      2.85746      1.64976      6.98202         0.000000     -0.000001      0.003381
      0.00000      0.00000      9.36705         0.000001      0.000000      0.015817
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001     -0.023750


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90218483 eV

  energy  without entropy=      -13.89690039  energy(sigma->0) =      -13.90042335
 
 d Force =-0.5844987E-05[-0.672E-05,-0.497E-05]  d Energy =-0.2436325E-05-0.341E-05
 d Force =-0.8926927E-01[-0.893E-01,-0.893E-01]  d Ewald  =-0.8926927E-01 0.106E-10


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


    POTLOK:  cpu time      1.9668: real time      1.9774


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.143E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.0837
 eigenvalue spectrum of G is  4.0837  4.0837


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


    WAVPRE:  cpu time      0.0059: real time      0.0739
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0847
    POTLOK:  cpu time      1.9682: real time      1.9791
    EDDIAG:  cpu time    589.9909: real time    594.7110
    CHARGE:  cpu time      0.2647: real time      0.2666
 writing wavefunctions
     LOOP+:  cpu time   5738.3293: real time   5785.3353


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


    POTLOK:  cpu time      0.7266: real time      0.7321
    SETDIJ:  cpu time      1.2449: real time      1.2498
    TRIAL :  cpu time    586.4301: real time    591.2400
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    588.6810: real time    593.5044

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1634869E-02  (-0.5225567E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009385 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.82014516
  -exchange      EXHF   =        33.25757833
  -V(xc)+E(xc)   XCENC  =       -83.55107399
  PAW double counting   =    100937.97872317  -100837.01951754
  entropy T*S    EENTRO =        -0.00514868
  eigenvalues    EBANDS =       -35.06060809
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90055186 eV

  energy without entropy =      -13.89540317  energy(sigma->0) =      -13.89883563
  exchange ACFDT corr.  =        -0.00500519  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7301
    SETDIJ:  cpu time      1.2456: real time      1.2509
    TRIAL :  cpu time    589.5376: real time    594.3386
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    591.7777: real time    596.5911

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2969761E-03  (-0.4340397E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009407 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.67271042
  -exchange      EXHF   =        33.25653655
  -V(xc)+E(xc)   XCENC  =       -83.55143958
  PAW double counting   =    100936.24833700  -100835.28913356
  entropy T*S    EENTRO =        -0.00513931
  eigenvalues    EBANDS =       -35.20635327
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90025488 eV

  energy without entropy =      -13.89511558  energy(sigma->0) =      -13.89854178
  exchange ACFDT corr.  =        -0.00498217  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7301
    SETDIJ:  cpu time      1.2463: real time      1.2514
    TRIAL :  cpu time    588.3899: real time    593.1893
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    590.6305: real time    595.4424

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1695839E-02  (-0.6053890E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009449 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.52471415
  -exchange      EXHF   =        33.25525455
  -V(xc)+E(xc)   XCENC  =       -83.55188006
  PAW double counting   =    100930.54870633  -100829.58947993
  entropy T*S    EENTRO =        -0.00513757
  eigenvalues    EBANDS =       -35.35435523
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90195072 eV

  energy without entropy =      -13.89681315  energy(sigma->0) =      -13.90023820
  exchange ACFDT corr.  =        -0.00498451  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7246: real time      0.7299
    SETDIJ:  cpu time      1.2461: real time      1.2514
    TRIAL :  cpu time    589.9806: real time    594.8235
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    592.2214: real time    597.0769

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1490430E-04  (-0.8504746E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009504 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.55439122
  -exchange      EXHF   =        33.25484923
  -V(xc)+E(xc)   XCENC  =       -83.55201728
  PAW double counting   =    100929.44657684  -100828.48738468
  entropy T*S    EENTRO =        -0.00513213
  eigenvalues    EBANDS =       -35.32411802
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90196563 eV

  energy without entropy =      -13.89683350  energy(sigma->0) =      -13.90025492
  exchange ACFDT corr.  =        -0.00497021  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7302
    SETDIJ:  cpu time      1.2473: real time      1.2524
    TRIAL :  cpu time    588.7476: real time    593.6183
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    590.9893: real time    595.8732

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1183954E-04  (-0.5654633E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009535 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.61541373
  -exchange      EXHF   =        33.25495788
  -V(xc)+E(xc)   XCENC  =       -83.55198168
  PAW double counting   =    100930.77956145  -100829.82039326
  entropy T*S    EENTRO =        -0.00511973
  eigenvalues    EBANDS =       -35.26323306
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90197747 eV

  energy without entropy =      -13.89685774  energy(sigma->0) =      -13.90027089
  exchange ACFDT corr.  =        -0.00496072  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7307
    SETDIJ:  cpu time      1.2469: real time      1.2522
    TRIAL :  cpu time    587.1044: real time    591.8948
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2662: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    589.3476: real time    594.1510

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2357807E-03  ( 0.1436640E-05)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009546 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.59316698
  -exchange      EXHF   =        33.25498470
  -V(xc)+E(xc)   XCENC  =       -83.55197151
  PAW double counting   =    100932.36184172  -100831.40273582
  entropy T*S    EENTRO =        -0.00510818
  eigenvalues    EBANDS =       -35.28570270
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90221325 eV

  energy without entropy =      -13.89710506  energy(sigma->0) =      -13.90051052
  exchange ACFDT corr.  =        -0.00495563  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7302
    SETDIJ:  cpu time      1.2487: real time      1.2539
    TRIAL :  cpu time    591.1102: real time    595.9296
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    593.3534: real time    598.1853

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1255095E-04  (-0.1342130E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009541 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.58247783
  -exchange      EXHF   =        33.25508611
  -V(xc)+E(xc)   XCENC  =       -83.55193263
  PAW double counting   =    100935.86289170  -100834.90380890
  entropy T*S    EENTRO =        -0.00510106
  eigenvalues    EBANDS =       -35.29650804
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220070 eV

  energy without entropy =      -13.89709963  energy(sigma->0) =      -13.90050034
  exchange ACFDT corr.  =        -0.00494828  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2485: real time      1.2537
    TRIAL :  cpu time    586.3914: real time    591.1823
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    588.6351: real time    593.4385

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9113239E-05  (-0.7267971E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009524 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.60527704
  -exchange      EXHF   =        33.25523262
  -V(xc)+E(xc)   XCENC  =       -83.55187746
  PAW double counting   =    100940.76156409  -100839.80249857
  entropy T*S    EENTRO =        -0.00509548
  eigenvalues    EBANDS =       -35.27390945
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220981 eV

  energy without entropy =      -13.89711433  energy(sigma->0) =      -13.90051132
  exchange ACFDT corr.  =        -0.00494242  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7255: real time      0.7309
    SETDIJ:  cpu time      1.2516: real time      1.2567
    TRIAL :  cpu time    590.7423: real time    595.5077
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    592.9892: real time    597.7671

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3331834E-04  (-0.1137892E-05)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009503 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.61408768
  -exchange      EXHF   =        33.25524379
  -V(xc)+E(xc)   XCENC  =       -83.55186828
  PAW double counting   =    100944.94241371  -100843.98333727
  entropy T*S    EENTRO =        -0.00508913
  eigenvalues    EBANDS =       -35.26516900
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224313 eV

  energy without entropy =      -13.89715400  energy(sigma->0) =      -13.90054675
  exchange ACFDT corr.  =        -0.00493779  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7258: real time      0.7312
    SETDIJ:  cpu time      1.2465: real time      1.2515
    TRIAL :  cpu time    589.5959: real time    594.4246
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2659: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    591.8389: real time    596.6801

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1893059E-05  (-0.2174012E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009482 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.60939636
  -exchange      EXHF   =        33.25518473
  -V(xc)+E(xc)   XCENC  =       -83.55188546
  PAW double counting   =    100948.85684993  -100847.89775313
  entropy T*S    EENTRO =        -0.00508253
  eigenvalues    EBANDS =       -35.26980889
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224123 eV

  energy without entropy =      -13.89715870  energy(sigma->0) =      -13.90054706
  exchange ACFDT corr.  =        -0.00493287  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     21(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7302
    SETDIJ:  cpu time      1.2500: real time      1.2552
    TRIAL :  cpu time    588.1524: real time    592.9815
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    589.7841: real time    594.4708
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time   1180.1808: real time   1189.7093

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3013542E-05  (-0.9461987E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009464 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.73827283
  -Hartree energ DENC   =      -698.60176100
  -exchange      EXHF   =        33.25507508
  -V(xc)+E(xc)   XCENC  =       -83.55190480
  PAW double counting   =    100952.45546310  -100851.49635873
  entropy T*S    EENTRO =        -0.00507690
  eigenvalues    EBANDS =       -35.27738088
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224425 eV

  energy without entropy =      -13.89716735  energy(sigma->0) =      -13.90055195
  exchange ACFDT corr.  =        -0.00492729  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0651


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8714       2 -69.7640       3 -69.7831       4 -69.8007       5 -69.9241
 
 
 
 E-fermi :   3.1533     XC(G=0):  -5.1215     alpha+bet : -8.9779

 Fermi energy:         3.1532724567

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8855      1.00000
      2      -9.9872      1.00000
      3      -8.6215      1.00000
      4      -6.7615      1.00000
      5      -4.3400      1.00000
      6      -1.5938      1.00000
      7       1.6078      1.00000
      8       4.6221     -0.00000
      9       5.4110     -0.00000
     10       7.9264     -0.00000
     11       7.9853     -0.00000
     12      11.8908      0.00000
     13      12.1805      0.00000
     14      16.0698      0.00000
     15      16.0770      0.00000
     16      16.0856      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6770      1.00000
      2      -9.7781      1.00000
      3      -8.4114      1.00000
      4      -6.5496      1.00000
      5      -4.1240      1.00000
      6      -1.3837      1.00000
      7       1.8214      1.00000
      8       4.8050     -0.00000
      9       5.5853     -0.00000
     10       8.0944     -0.00000
     11       8.1503     -0.00000
     12      12.0197      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8552      0.00000
     16      14.3298      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6770      1.00000
      2      -9.7781      1.00000
      3      -8.4114      1.00000
      4      -6.5496      1.00000
      5      -4.1240      1.00000
      6      -1.3837      1.00000
      7       1.8214      1.00000
      8       4.8050     -0.00000
      9       5.5853     -0.00000
     10       8.0944     -0.00000
     11       8.1503     -0.00000
     12      12.0197      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8552      0.00000
     16      14.3348      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6770      1.00000
      2      -9.7781      1.00000
      3      -8.4114      1.00000
      4      -6.5496      1.00000
      5      -4.1240      1.00000
      6      -1.3837      1.00000
      7       1.8214      1.00000
      8       4.8050     -0.00000
      9       5.5853     -0.00000
     10       8.0944     -0.00000
     11       8.1503     -0.00000
     12      12.0197      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8552      0.00000
     16      14.3297      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1506      1.00000
      3      -7.7806      1.00000
      4      -5.9139      1.00000
      5      -3.4771      1.00000
      6      -0.7543      1.00000
      7       2.4482      1.00000
      8       5.3369     -0.00000
      9       6.1033     -0.00000
     10       8.4790     -0.00000
     11       8.6246      0.00000
     12       9.7334      0.00000
     13      10.2751      0.00000
     14      11.3748      0.00000
     15      12.5014      0.00000
     16      12.7675      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1506      1.00000
      3      -7.7806      1.00000
      4      -5.9139      1.00000
      5      -3.4771      1.00000
      6      -0.7543      1.00000
      7       2.4482      1.00000
      8       5.3369     -0.00000
      9       6.1033     -0.00000
     10       8.4790     -0.00000
     11       8.6246      0.00000
     12       9.7334      0.00000
     13      10.2751      0.00000
     14      11.3748      0.00000
     15      12.5019      0.00000
     16      12.7805      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1506      1.00000
      3      -7.7806      1.00000
      4      -5.9139      1.00000
      5      -3.4771      1.00000
      6      -0.7543      1.00000
      7       2.4482      1.00000
      8       5.3369     -0.00000
      9       6.1033     -0.00000
     10       8.4790     -0.00000
     11       8.6246      0.00000
     12       9.7334      0.00000
     13      10.2751      0.00000
     14      11.3748      0.00000
     15      12.5026      0.00000
     16      12.8161      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1038      1.00000
      3      -6.7283      1.00000
      4      -4.8545      1.00000
      5      -2.4050      1.00000
      6       0.2838      1.00000
      7       3.4075     -0.03508
      8       5.6468     -0.00000
      9       6.5418     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0633     -0.00000
     13       9.4021      0.00000
     14       9.5789      0.00000
     15       9.8033      0.00000
     16      11.5864      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1038      1.00000
      3      -6.7283      1.00000
      4      -4.8545      1.00000
      5      -2.4050      1.00000
      6       0.2838      1.00000
      7       3.4075     -0.03508
      8       5.6468     -0.00000
      9       6.5418     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0633     -0.00000
     13       9.4021      0.00000
     14       9.5789      0.00000
     15       9.8033      0.00000
     16      11.5889      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1038      1.00000
      3      -6.7283      1.00000
      4      -4.8545      1.00000
      5      -2.4050      1.00000
      6       0.2838      1.00000
      7       3.4075     -0.03508
      8       5.6468     -0.00000
      9       6.5418     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0633     -0.00000
     13       9.4021      0.00000
     14       9.5789      0.00000
     15       9.8033      0.00000
     16      11.5983      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6352      1.00000
      3      -5.2528      1.00000
      4      -3.3750      1.00000
      5      -0.9385      1.00000
      6       1.5755      1.00000
      7       2.5527      1.00009
      8       3.5269     -0.01190
      9       4.7992     -0.00000
     10       5.1250     -0.00000
     11       6.5233     -0.00000
     12       7.6456     -0.00000
     13       8.2123     -0.00000
     14       8.7077      0.00000
     15      10.5138      0.00000
     16      10.8220      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6352      1.00000
      3      -5.2528      1.00000
      4      -3.3750      1.00000
      5      -0.9385      1.00000
      6       1.5755      1.00000
      7       2.5527      1.00009
      8       3.5269     -0.01190
      9       4.7992     -0.00000
     10       5.1250     -0.00000
     11       6.5233     -0.00000
     12       7.6456     -0.00000
     13       8.2123     -0.00000
     14       8.7077      0.00000
     15      10.5138      0.00000
     16      10.8209      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6352      1.00000
      3      -5.2528      1.00000
      4      -3.3750      1.00000
      5      -0.9385      1.00000
      6       1.5755      1.00000
      7       2.5527      1.00009
      8       3.5269     -0.01190
      9       4.7992     -0.00000
     10       5.1250     -0.00000
     11       6.5233     -0.00000
     12       7.6456     -0.00000
     13       8.2123     -0.00000
     14       8.7077      0.00000
     15      10.5137      0.00000
     16      10.8220      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7425      1.00000
      3      -3.3590      1.00000
      4      -1.5215      1.00000
      5      -0.6608      1.00000
      6       0.1182      1.00000
      7       1.1125      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7418     -0.00013
     11       5.9300     -0.00000
     12       6.7006     -0.00000
     13       8.2324     -0.00000
     14       9.1911      0.00000
     15       9.7522      0.00000
     16      10.4774      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7425      1.00000
      3      -3.3590      1.00000
      4      -1.5215      1.00000
      5      -0.6608      1.00000
      6       0.1182      1.00000
      7       1.1125      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7418     -0.00013
     11       5.9300     -0.00000
     12       6.7006     -0.00000
     13       8.2324     -0.00000
     14       9.1911      0.00000
     15       9.7522      0.00000
     16      10.4080      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7425      1.00000
      3      -3.3590      1.00000
      4      -1.5215      1.00000
      5      -0.6608      1.00000
      6       0.1182      1.00000
      7       1.1125      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7418     -0.00013
     11       5.9300     -0.00000
     12       6.7006     -0.00000
     13       8.2324     -0.00000
     14       9.1911      0.00000
     15       9.7522      0.00000
     16      10.4122      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3380      1.00000
      3      -2.4457      1.00000
      4      -2.4319      1.00000
      5      -1.2957      1.00000
      6      -0.9026      1.00000
      7       0.6395      1.00000
      8       1.3811      1.00000
      9       3.3822     -0.03440
     10       3.5205     -0.01301
     11       5.6740     -0.00000
     12       6.0149     -0.00000
     13       8.3994     -0.00000
     14       8.8566      0.00000
     15      10.2400      0.00000
     16      10.5359      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3380      1.00000
      3      -2.4457      1.00000
      4      -2.4319      1.00000
      5      -1.2957      1.00000
      6      -0.9026      1.00000
      7       0.6395      1.00000
      8       1.3811      1.00000
      9       3.3822     -0.03440
     10       3.5205     -0.01301
     11       5.6740     -0.00000
     12       6.0149     -0.00000
     13       8.3994     -0.00000
     14       8.8566      0.00000
     15      10.2400      0.00000
     16      10.5360      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3380      1.00000
      3      -2.4457      1.00000
      4      -2.4319      1.00000
      5      -1.2957      1.00000
      6      -0.9026      1.00000
      7       0.6395      1.00000
      8       1.3811      1.00000
      9       3.3822     -0.03440
     10       3.5205     -0.01301
     11       5.6740     -0.00000
     12       6.0149     -0.00000
     13       8.3994     -0.00000
     14       8.8566      0.00000
     15      10.2400      0.00000
     16      10.5359      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2600      1.00000
      2      -9.3598      1.00000
      3      -7.9909      1.00000
      4      -6.1259      1.00000
      5      -3.6925      1.00000
      6      -0.9638      1.00000
      7       2.2420      1.00000
      8       5.1641     -0.00000
      9       5.9321     -0.00000
     10       8.4194     -0.00000
     11       8.4589     -0.00000
     12      11.4346      0.00000
     13      11.4493      0.00000
     14      11.8866      0.00000
     15      12.0155      0.00000
     16      12.6399      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2600      1.00000
      2      -9.3598      1.00000
      3      -7.9909      1.00000
      4      -6.1259      1.00000
      5      -3.6925      1.00000
      6      -0.9638      1.00000
      7       2.2420      1.00000
      8       5.1641     -0.00000
      9       5.9321     -0.00000
     10       8.4194     -0.00000
     11       8.4589     -0.00000
     12      11.4346      0.00000
     13      11.4493      0.00000
     14      11.8866      0.00000
     15      12.0155      0.00000
     16      12.6337      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2600      1.00000
      2      -9.3598      1.00000
      3      -7.9909      1.00000
      4      -6.1259      1.00000
      5      -3.6925      1.00000
      6      -0.9638      1.00000
      7       2.2420      1.00000
      8       5.1641     -0.00000
      9       5.9321     -0.00000
     10       8.4194     -0.00000
     11       8.4589     -0.00000
     12      11.4346      0.00000
     13      11.4493      0.00000
     14      11.8866      0.00000
     15      12.0155      0.00000
     16      12.6392      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0489      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0318      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5981      0.00000
     16      10.1794      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5981      0.00000
     16      10.1637      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0342      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5986      0.00000
     16      10.0506      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1247      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1247      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1007      0.00000
     16       9.1246      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1007      0.00000
     16       9.1247      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6931      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6950      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6928      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6922      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6921      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6932      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4751      1.00000
      3      -6.0964      1.00000
      4      -4.2192      1.00000
      5      -1.7671      1.00000
      6       0.8984      1.00000
      7       3.9489     -0.00000
      8       6.0202     -0.00000
      9       6.4994     -0.00000
     10       7.2306     -0.00000
     11       7.3171     -0.00000
     12       7.4890     -0.00000
     13       7.6005     -0.00000
     14       8.3750     -0.00000
     15       8.7413      0.00000
     16      10.0481      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4751      1.00000
      3      -6.0964      1.00000
      4      -4.2192      1.00000
      5      -1.7671      1.00000
      6       0.8984      1.00000
      7       3.9489     -0.00000
      8       6.0202     -0.00000
      9       6.4994     -0.00000
     10       7.2306     -0.00000
     11       7.3171     -0.00000
     12       7.4890     -0.00000
     13       7.6005     -0.00000
     14       8.3750     -0.00000
     15       8.7413      0.00000
     16      10.0572      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4751      1.00000
      3      -6.0964      1.00000
      4      -4.2192      1.00000
      5      -1.7671      1.00000
      6       0.8984      1.00000
      7       3.9489     -0.00000
      8       6.0202     -0.00000
      9       6.4994     -0.00000
     10       7.2306     -0.00000
     11       7.3171     -0.00000
     12       7.4890     -0.00000
     13       7.6005     -0.00000
     14       8.3750     -0.00000
     15       8.7413      0.00000
     16      10.0535      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7559      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7559      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8385      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8393      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8394      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8596      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8740      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8745      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7338      1.00000
      2      -2.7120      1.00000
      3      -1.8199      1.00000
      4      -1.8118      1.00000
      5      -0.6815      1.00000
      6      -0.2894      1.00000
      7       1.2401      1.00000
      8       1.9730      1.00000
      9       3.7721     -0.00005
     10       3.9006     -0.00000
     11       4.7220     -0.00000
     12       5.7555     -0.00000
     13       6.3931     -0.00000
     14       6.7514     -0.00000
     15       7.1239     -0.00000
     16       8.6879      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7338      1.00000
      2      -2.7120      1.00000
      3      -1.8199      1.00000
      4      -1.8118      1.00000
      5      -0.6815      1.00000
      6      -0.2894      1.00000
      7       1.2401      1.00000
      8       1.9730      1.00000
      9       3.7721     -0.00005
     10       3.9006     -0.00000
     11       4.7220     -0.00000
     12       5.7555     -0.00000
     13       6.3931     -0.00000
     14       6.7514     -0.00000
     15       7.1239     -0.00000
     16       8.6822      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7338      1.00000
      2      -2.7120      1.00000
      3      -1.8199      1.00000
      4      -1.8118      1.00000
      5      -0.6815      1.00000
      6      -0.2894      1.00000
      7       1.2401      1.00000
      8       1.9730      1.00000
      9       3.7721     -0.00005
     10       3.9006     -0.00000
     11       4.7220     -0.00000
     12       5.7555     -0.00000
     13       6.3931     -0.00000
     14       6.7514     -0.00000
     15       7.1239     -0.00000
     16       8.6815      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3243      1.00000
      3      -2.9387      1.00000
      4      -1.0854      1.00000
      5       1.1482      1.00000
      6       2.1060      1.00000
      7       2.2690      1.00000
      8       2.9888      0.99499
      9       3.4424     -0.02998
     10       4.2263     -0.00000
     11       4.4854     -0.00000
     12       4.8531     -0.00000
     13       6.2101     -0.00000
     14       6.8501     -0.00000
     15       7.2438     -0.00000
     16       8.6811      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3243      1.00000
      3      -2.9387      1.00000
      4      -1.0854      1.00000
      5       1.1482      1.00000
      6       2.1060      1.00000
      7       2.2690      1.00000
      8       2.9888      0.99499
      9       3.4424     -0.02998
     10       4.2263     -0.00000
     11       4.4854     -0.00000
     12       4.8531     -0.00000
     13       6.2101     -0.00000
     14       6.8501     -0.00000
     15       7.2438     -0.00000
     16       8.6851      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3243      1.00000
      3      -2.9387      1.00000
      4      -1.0854      1.00000
      5       1.1482      1.00000
      6       2.1060      1.00000
      7       2.2690      1.00000
      8       2.9888      0.99499
      9       3.4424     -0.02998
     10       4.2263     -0.00000
     11       4.4854     -0.00000
     12       4.8531     -0.00000
     13       6.2101     -0.00000
     14       6.8501     -0.00000
     15       7.2438     -0.00000
     16       8.6870      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2233     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2289     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38444
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2258     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2253     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2253     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.3603     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8699      1.00000
      2      -0.8545      1.00000
      3      -0.8285      1.00000
      4      -0.0189      1.00000
      5       0.0511      1.00000
      6       0.0650      1.00000
      7       1.0916      1.00000
      8       1.0938      1.00000
      9       1.7925      1.00000
     10       2.6819      1.00215
     11       4.0757     -0.00000
     12       4.1143     -0.00000
     13       5.9675     -0.00000
     14       6.0011     -0.00000
     15       6.0531     -0.00000
     16       8.0115     -0.00000
 Fermi energy:         3.1532724567

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8855      1.00000
      2      -9.9872      1.00000
      3      -8.6215      1.00000
      4      -6.7615      1.00000
      5      -4.3400      1.00000
      6      -1.5938      1.00000
      7       1.6078      1.00000
      8       4.6221     -0.00000
      9       5.4110     -0.00000
     10       7.9264     -0.00000
     11       7.9853     -0.00000
     12      11.8908      0.00000
     13      12.1805      0.00000
     14      16.0692      0.00000
     15      16.0767      0.00000
     16      16.1609      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6770      1.00000
      2      -9.7781      1.00000
      3      -8.4114      1.00000
      4      -6.5496      1.00000
      5      -4.1240      1.00000
      6      -1.3837      1.00000
      7       1.8214      1.00000
      8       4.8050     -0.00000
      9       5.5853     -0.00000
     10       8.0944     -0.00000
     11       8.1503     -0.00000
     12      12.0197      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8552      0.00000
     16      14.3292      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6770      1.00000
      2      -9.7781      1.00000
      3      -8.4114      1.00000
      4      -6.5496      1.00000
      5      -4.1240      1.00000
      6      -1.3837      1.00000
      7       1.8214      1.00000
      8       4.8050     -0.00000
      9       5.5853     -0.00000
     10       8.0944     -0.00000
     11       8.1503     -0.00000
     12      12.0197      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8552      0.00000
     16      14.3291      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6770      1.00000
      2      -9.7781      1.00000
      3      -8.4114      1.00000
      4      -6.5496      1.00000
      5      -4.1240      1.00000
      6      -1.3837      1.00000
      7       1.8214      1.00000
      8       4.8050     -0.00000
      9       5.5853     -0.00000
     10       8.0944     -0.00000
     11       8.1503     -0.00000
     12      12.0197      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8552      0.00000
     16      14.3295      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1506      1.00000
      3      -7.7806      1.00000
      4      -5.9139      1.00000
      5      -3.4771      1.00000
      6      -0.7543      1.00000
      7       2.4482      1.00000
      8       5.3369     -0.00000
      9       6.1033     -0.00000
     10       8.4790     -0.00000
     11       8.6246      0.00000
     12       9.7334      0.00000
     13      10.2751      0.00000
     14      11.3748      0.00000
     15      12.5035      0.00000
     16      12.8075      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1506      1.00000
      3      -7.7806      1.00000
      4      -5.9139      1.00000
      5      -3.4771      1.00000
      6      -0.7543      1.00000
      7       2.4482      1.00000
      8       5.3369     -0.00000
      9       6.1033     -0.00000
     10       8.4790     -0.00000
     11       8.6246      0.00000
     12       9.7334      0.00000
     13      10.2751      0.00000
     14      11.3748      0.00000
     15      12.5014      0.00000
     16      12.7675      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1506      1.00000
      3      -7.7806      1.00000
      4      -5.9139      1.00000
      5      -3.4771      1.00000
      6      -0.7543      1.00000
      7       2.4482      1.00000
      8       5.3369     -0.00000
      9       6.1033     -0.00000
     10       8.4790     -0.00000
     11       8.6246      0.00000
     12       9.7334      0.00000
     13      10.2751      0.00000
     14      11.3748      0.00000
     15      12.5022      0.00000
     16      12.7880      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1038      1.00000
      3      -6.7283      1.00000
      4      -4.8545      1.00000
      5      -2.4050      1.00000
      6       0.2838      1.00000
      7       3.4075     -0.03508
      8       5.6468     -0.00000
      9       6.5418     -0.00000
     10       6.8669     -0.00000
     11       7.0503     -0.00000
     12       8.0633     -0.00000
     13       9.4021      0.00000
     14       9.5789      0.00000
     15       9.8033      0.00000
     16      11.5871      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1038      1.00000
      3      -6.7283      1.00000
      4      -4.8545      1.00000
      5      -2.4050      1.00000
      6       0.2838      1.00000
      7       3.4075     -0.03508
      8       5.6468     -0.00000
      9       6.5418     -0.00000
     10       6.8669     -0.00000
     11       7.0503     -0.00000
     12       8.0633     -0.00000
     13       9.4021      0.00000
     14       9.5789      0.00000
     15       9.8033      0.00000
     16      11.5962      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1038      1.00000
      3      -6.7283      1.00000
      4      -4.8545      1.00000
      5      -2.4050      1.00000
      6       0.2838      1.00000
      7       3.4075     -0.03508
      8       5.6468     -0.00000
      9       6.5418     -0.00000
     10       6.8669     -0.00000
     11       7.0503     -0.00000
     12       8.0633     -0.00000
     13       9.4021      0.00000
     14       9.5789      0.00000
     15       9.8033      0.00000
     16      11.5901      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6352      1.00000
      3      -5.2528      1.00000
      4      -3.3750      1.00000
      5      -0.9385      1.00000
      6       1.5755      1.00000
      7       2.5527      1.00009
      8       3.5269     -0.01190
      9       4.7992     -0.00000
     10       5.1250     -0.00000
     11       6.5233     -0.00000
     12       7.6456     -0.00000
     13       8.2123     -0.00000
     14       8.7077      0.00000
     15      10.5136      0.00000
     16      10.8223      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6352      1.00000
      3      -5.2528      1.00000
      4      -3.3750      1.00000
      5      -0.9385      1.00000
      6       1.5755      1.00000
      7       2.5527      1.00009
      8       3.5269     -0.01190
      9       4.7992     -0.00000
     10       5.1250     -0.00000
     11       6.5233     -0.00000
     12       7.6456     -0.00000
     13       8.2123     -0.00000
     14       8.7077      0.00000
     15      10.5141      0.00000
     16      10.8244      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6352      1.00000
      3      -5.2528      1.00000
      4      -3.3750      1.00000
      5      -0.9385      1.00000
      6       1.5755      1.00000
      7       2.5527      1.00009
      8       3.5269     -0.01190
      9       4.7992     -0.00000
     10       5.1250     -0.00000
     11       6.5233     -0.00000
     12       7.6456     -0.00000
     13       8.2123     -0.00000
     14       8.7077      0.00000
     15      10.5140      0.00000
     16      10.8237      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7425      1.00000
      3      -3.3590      1.00000
      4      -1.5215      1.00000
      5      -0.6608      1.00000
      6       0.1182      1.00000
      7       1.1125      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7418     -0.00013
     11       5.9300     -0.00000
     12       6.7006     -0.00000
     13       8.2324     -0.00000
     14       9.1911      0.00000
     15       9.7522      0.00000
     16      10.4136      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7425      1.00000
      3      -3.3590      1.00000
      4      -1.5215      1.00000
      5      -0.6608      1.00000
      6       0.1182      1.00000
      7       1.1125      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7418     -0.00013
     11       5.9300     -0.00000
     12       6.7006     -0.00000
     13       8.2324     -0.00000
     14       9.1911      0.00000
     15       9.7522      0.00000
     16      10.4210      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7425      1.00000
      3      -3.3590      1.00000
      4      -1.5215      1.00000
      5      -0.6608      1.00000
      6       0.1182      1.00000
      7       1.1125      1.00000
      8       2.0152      1.00000
      9       3.6472     -0.00131
     10       3.7418     -0.00013
     11       5.9300     -0.00000
     12       6.7006     -0.00000
     13       8.2324     -0.00000
     14       9.1911      0.00000
     15       9.7522      0.00000
     16      10.4228      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3380      1.00000
      3      -2.4457      1.00000
      4      -2.4319      1.00000
      5      -1.2957      1.00000
      6      -0.9026      1.00000
      7       0.6395      1.00000
      8       1.3811      1.00000
      9       3.3822     -0.03440
     10       3.5205     -0.01301
     11       5.6740     -0.00000
     12       6.0149     -0.00000
     13       8.3994     -0.00000
     14       8.8566      0.00000
     15      10.2399      0.00000
     16      10.5363      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3380      1.00000
      3      -2.4457      1.00000
      4      -2.4319      1.00000
      5      -1.2957      1.00000
      6      -0.9026      1.00000
      7       0.6395      1.00000
      8       1.3811      1.00000
      9       3.3822     -0.03440
     10       3.5205     -0.01301
     11       5.6740     -0.00000
     12       6.0149     -0.00000
     13       8.3994     -0.00000
     14       8.8566      0.00000
     15      10.2400      0.00000
     16      10.5360      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3380      1.00000
      3      -2.4457      1.00000
      4      -2.4319      1.00000
      5      -1.2957      1.00000
      6      -0.9026      1.00000
      7       0.6395      1.00000
      8       1.3811      1.00000
      9       3.3822     -0.03440
     10       3.5205     -0.01301
     11       5.6740     -0.00000
     12       6.0149     -0.00000
     13       8.3994     -0.00000
     14       8.8566      0.00000
     15      10.2401      0.00000
     16      10.5360      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2600      1.00000
      2      -9.3598      1.00000
      3      -7.9909      1.00000
      4      -6.1259      1.00000
      5      -3.6925      1.00000
      6      -0.9638      1.00000
      7       2.2420      1.00000
      8       5.1641     -0.00000
      9       5.9321     -0.00000
     10       8.4194     -0.00000
     11       8.4589     -0.00000
     12      11.4346      0.00000
     13      11.4493      0.00000
     14      11.8866      0.00000
     15      12.0155      0.00000
     16      12.6344      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2600      1.00000
      2      -9.3598      1.00000
      3      -7.9909      1.00000
      4      -6.1259      1.00000
      5      -3.6925      1.00000
      6      -0.9638      1.00000
      7       2.2420      1.00000
      8       5.1641     -0.00000
      9       5.9321     -0.00000
     10       8.4194     -0.00000
     11       8.4589     -0.00000
     12      11.4346      0.00000
     13      11.4493      0.00000
     14      11.8866      0.00000
     15      12.0157      0.00000
     16      12.6295      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2600      1.00000
      2      -9.3598      1.00000
      3      -7.9909      1.00000
      4      -6.1259      1.00000
      5      -3.6925      1.00000
      6      -0.9638      1.00000
      7       2.2420      1.00000
      8       5.1641     -0.00000
      9       5.9321     -0.00000
     10       8.4194     -0.00000
     11       8.4589     -0.00000
     12      11.4346      0.00000
     13      11.4493      0.00000
     14      11.8866      0.00000
     15      12.0165      0.00000
     16      12.6846      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5227      1.00000
      3      -7.1494      1.00000
      4      -5.2782      1.00000
      5      -2.8325      1.00000
      6      -0.1284      1.00000
      7       3.0485      0.88017
      8       5.8167     -0.00000
      9       6.6008     -0.00000
     10       7.8643     -0.00000
     11       8.5874     -0.00000
     12       9.0024      0.00000
     13       9.4201      0.00000
     14       9.8335      0.00000
     15      10.1853      0.00000
     16      10.7206      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0492      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0377      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0377      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5981      0.00000
     16      10.2558      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2652      1.00000
      3      -5.8855      1.00000
      4      -4.0078      1.00000
      5      -1.5573      1.00000
      6       1.0902      1.00000
      7       3.8109     -0.00002
      8       4.6817     -0.00000
      9       5.4040     -0.00000
     10       6.5081     -0.00000
     11       7.0822     -0.00000
     12       7.6964     -0.00000
     13       8.1801     -0.00000
     14       8.9030      0.00000
     15       9.5980      0.00000
     16      10.0514      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1247      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5845      1.00000
      3      -4.1992      1.00000
      4      -2.3282      1.00000
      5       0.0134      1.00000
      6       1.0067      1.00000
      7       1.9791      1.00000
      8       2.9853      0.99930
      9       3.5214     -0.01277
     10       5.1943     -0.00000
     11       5.8964     -0.00000
     12       7.3243     -0.00000
     13       7.9816     -0.00000
     14       8.6494      0.00000
     15       9.1008      0.00000
     16       9.1246      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6921      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6930      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6929      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6923      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6921      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4825      1.00000
      3      -2.1156      1.00000
      4      -1.8870      1.00000
      5      -1.0390      1.00000
      6      -0.3603      1.00000
      7       0.6420      1.00000
      8       2.2881      1.00000
      9       2.6617      1.00141
     10       4.7302     -0.00000
     11       4.9034     -0.00000
     12       7.0257     -0.00000
     13       7.4877     -0.00000
     14       8.0157     -0.00000
     15       8.8382      0.00000
     16       9.6948      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4751      1.00000
      3      -6.0964      1.00000
      4      -4.2192      1.00000
      5      -1.7671      1.00000
      6       0.8984      1.00000
      7       3.9489     -0.00000
      8       6.0202     -0.00000
      9       6.4994     -0.00000
     10       7.2306     -0.00000
     11       7.3171     -0.00000
     12       7.4890     -0.00000
     13       7.6005     -0.00000
     14       8.3750     -0.00000
     15       8.7413      0.00000
     16      10.0523      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4751      1.00000
      3      -6.0964      1.00000
      4      -4.2192      1.00000
      5      -1.7671      1.00000
      6       0.8984      1.00000
      7       3.9489     -0.00000
      8       6.0202     -0.00000
      9       6.4994     -0.00000
     10       7.2306     -0.00000
     11       7.3171     -0.00000
     12       7.4890     -0.00000
     13       7.6005     -0.00000
     14       8.3750     -0.00000
     15       8.7413      0.00000
     16      10.0469      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4751      1.00000
      3      -6.0964      1.00000
      4      -4.2192      1.00000
      5      -1.7671      1.00000
      6       0.8984      1.00000
      7       3.9489     -0.00000
      8       6.0202     -0.00000
      9       6.4994     -0.00000
     10       7.2306     -0.00000
     11       7.3171     -0.00000
     12       7.4890     -0.00000
     13       7.6005     -0.00000
     14       8.3749     -0.00000
     15       8.7413      0.00000
     16      10.0557      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7559      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7559      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0057      1.00000
      3      -4.6208      1.00000
      4      -2.7431      1.00000
      5      -0.3182      1.00000
      6       2.1606      1.00000
      7       3.1416      0.55029
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3565     -0.00000
     11       5.9060     -0.00000
     12       6.4791     -0.00000
     13       7.0129     -0.00000
     14       7.7597     -0.00000
     15       8.4102     -0.00000
     16       8.7560      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8416      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8295      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8399      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8448      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8523      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1134      1.00000
      3      -2.7307      1.00000
      4      -0.9034      1.00000
      5      -0.0442      1.00000
      6       0.7203      1.00000
      7       1.7034      1.00000
      8       2.5872      1.00024
      9       4.0709     -0.00000
     10       4.2689     -0.00000
     11       4.8728     -0.00000
     12       5.7286     -0.00000
     13       6.6224     -0.00000
     14       7.3946     -0.00000
     15       7.5159     -0.00000
     16       8.8656      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7338      1.00000
      2      -2.7120      1.00000
      3      -1.8199      1.00000
      4      -1.8118      1.00000
      5      -0.6815      1.00000
      6      -0.2894      1.00000
      7       1.2401      1.00000
      8       1.9730      1.00000
      9       3.7721     -0.00005
     10       3.9006     -0.00000
     11       4.7220     -0.00000
     12       5.7555     -0.00000
     13       6.3931     -0.00000
     14       6.7514     -0.00000
     15       7.1239     -0.00000
     16       8.6758      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7338      1.00000
      2      -2.7120      1.00000
      3      -1.8199      1.00000
      4      -1.8118      1.00000
      5      -0.6815      1.00000
      6      -0.2894      1.00000
      7       1.2401      1.00000
      8       1.9730      1.00000
      9       3.7721     -0.00005
     10       3.9006     -0.00000
     11       4.7220     -0.00000
     12       5.7555     -0.00000
     13       6.3931     -0.00000
     14       6.7514     -0.00000
     15       7.1239     -0.00000
     16       8.6757      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7338      1.00000
      2      -2.7120      1.00000
      3      -1.8199      1.00000
      4      -1.8118      1.00000
      5      -0.6815      1.00000
      6      -0.2894      1.00000
      7       1.2401      1.00000
      8       1.9730      1.00000
      9       3.7721     -0.00005
     10       3.9006     -0.00000
     11       4.7220     -0.00000
     12       5.7555     -0.00000
     13       6.3931     -0.00000
     14       6.7514     -0.00000
     15       7.1239     -0.00000
     16       8.6787      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3243      1.00000
      3      -2.9387      1.00000
      4      -1.0854      1.00000
      5       1.1482      1.00000
      6       2.1060      1.00000
      7       2.2690      1.00000
      8       2.9888      0.99499
      9       3.4424     -0.02998
     10       4.2263     -0.00000
     11       4.4854     -0.00000
     12       4.8531     -0.00000
     13       6.2101     -0.00000
     14       6.8501     -0.00000
     15       7.2438     -0.00000
     16       8.6830      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3243      1.00000
      3      -2.9387      1.00000
      4      -1.0854      1.00000
      5       1.1482      1.00000
      6       2.1060      1.00000
      7       2.2690      1.00000
      8       2.9888      0.99499
      9       3.4424     -0.02998
     10       4.2263     -0.00000
     11       4.4854     -0.00000
     12       4.8531     -0.00000
     13       6.2101     -0.00000
     14       6.8501     -0.00000
     15       7.2438     -0.00000
     16       8.6813      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3243      1.00000
      3      -2.9387      1.00000
      4      -1.0854      1.00000
      5       1.1482      1.00000
      6       2.1060      1.00000
      7       2.2690      1.00000
      8       2.9888      0.99499
      9       3.4424     -0.02998
     10       4.2263     -0.00000
     11       4.4854     -0.00000
     12       4.8531     -0.00000
     13       6.2101     -0.00000
     14       6.8501     -0.00000
     15       7.2438     -0.00000
     16       8.6824      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2247     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2268     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2261     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2317     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2261     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2299      1.00000
      3      -0.8781      1.00000
      4      -0.6416      1.00000
      5       0.1844      1.00000
      6       0.8210      1.00000
      7       1.7614      1.00000
      8       1.8325      1.00000
      9       2.5562      1.00010
     10       3.1803      0.38445
     11       4.1302     -0.00000
     12       4.6574     -0.00000
     13       6.0464     -0.00000
     14       6.1505     -0.00000
     15       6.3649     -0.00000
     16       8.2302     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8699      1.00000
      2      -0.8545      1.00000
      3      -0.8285      1.00000
      4      -0.0189      1.00000
      5       0.0511      1.00000
      6       0.0650      1.00000
      7       1.0916      1.00000
      8       1.0938      1.00000
      9       1.7925      1.00000
     10       2.6819      1.00215
     11       4.0757     -0.00000
     12       4.1143     -0.00000
     13       5.9675     -0.00000
     14       6.0011     -0.00000
     15       6.0531     -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
  8.065  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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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  23.496  -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   1.881  -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  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.469  -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
115.771 -61.837  -0.000  -0.079  -0.000   0.000  -0.023   0.000
-61.837  33.029   0.000   0.033   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322  -0.000   0.000
 -0.079   0.033  -0.000   1.745   0.000   0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   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      0.0019
    FORHF :  cpu time    423.1466: real time    426.0817
    FORNL :  cpu time      0.5044: real time      0.5096
    FORCOR:  cpu time      1.9695: real time      1.9801
    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
 -----------------------------------------------------------------------------------------------
   0.874E-06 0.227E-05 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.829E-06 -.224E-05 -.126E+01
   0.131E-05 0.482E-06 0.911E+02   -.578E-14 0.554E-14 -.911E+02   -.233E-05 -.664E-06 0.146E+00
   0.145E-05 0.154E-05 -.703E+00   -.138E-12 -.893E-13 0.691E+00   -.849E-06 -.126E-05 0.168E-01
   0.213E-05 -.247E-05 -.924E+02   0.131E-12 0.872E-13 0.923E+02   -.346E-05 0.282E-05 0.113E+00
   0.373E-05 -.317E-05 -.181E+03   -.405E-13 -.279E-13 0.180E+03   -.349E-05 0.372E-05 0.997E+00
 -----------------------------------------------------------------------------------------------
   0.988E-05 -.149E-05 -.169E-01   -.971E-14 0.313E-14 0.000E+00   -.110E-04 0.238E-05 0.170E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.124494
      0.00000      0.00000      2.33311        -0.000000     -0.000000      0.106308
      1.42873      0.82488      4.65797        -0.000000     -0.000000      0.003917
      2.85746      1.64976      6.98499        -0.000001      0.000000      0.009598
      0.00000      0.00000      9.37225         0.000001      0.000000      0.004671
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000001      0.000803


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90224425 eV

  energy  without entropy=      -13.89716735  energy(sigma->0) =      -13.90055195
 
 d Force = 0.7149401E-04[ 0.566E-04, 0.864E-04]  d Energy = 0.5941573E-04 0.121E-04
 d Force = 0.1209406E+01[ 0.121E+01, 0.121E+01]  d Ewald  = 0.1209406E+01-0.881E-08


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


    POTLOK:  cpu time      1.9690: real time      1.9795


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.624E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.3682
 eigenvalue spectrum of G is  2.3682


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


    WAVPRE:  cpu time      1.2227: real time      1.2892
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9710: real time      1.9820
    EDDIAG:  cpu time    590.1858: real time    594.8649
    CHARGE:  cpu time      0.2655: real time      0.2674
 writing wavefunctions
     LOOP+:  cpu time   8112.8985: real time   8179.0777


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


    POTLOK:  cpu time      0.7276: real time      0.7331
    SETDIJ:  cpu time      1.2478: real time      1.2533
    TRIAL :  cpu time    586.6294: real time    591.4201
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    588.8834: real time    593.6881

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1648164E-04  (-0.6134915E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009435 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.85761558
  -Hartree energ DENC   =      -698.73977737
  -exchange      EXHF   =        33.25567278
  -V(xc)+E(xc)   XCENC  =       -83.55170373
  PAW double counting   =    100958.36615945  -100857.40709506
  entropy T*S    EENTRO =        -0.00505466
  eigenvalues    EBANDS =       -35.25942102
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90222475 eV

  energy without entropy =      -13.89717009  energy(sigma->0) =      -13.90053986
  exchange ACFDT corr.  =        -0.00491214  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7306
    SETDIJ:  cpu time      1.2513: real time      1.2565
    TRIAL :  cpu time    589.1658: real time    593.9734
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    591.4133: real time    596.2335

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1941007E-05  (-0.4791094E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009423 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.85761558
  -Hartree energ DENC   =      -698.69675948
  -exchange      EXHF   =        33.25562452
  -V(xc)+E(xc)   XCENC  =       -83.55172275
  PAW double counting   =    100958.85611135  -100857.89704083
  entropy T*S    EENTRO =        -0.00505315
  eigenvalues    EBANDS =       -35.30238078
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90222281 eV

  energy without entropy =      -13.89716966  energy(sigma->0) =      -13.90053843
  exchange ACFDT corr.  =        -0.00490964  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7255: real time      0.7309
    SETDIJ:  cpu time      1.2493: real time      1.2544
    TRIAL :  cpu time    589.3350: real time    594.1455
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    591.5795: real time    596.4025

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1894774E-04  (-0.1010855E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009410 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.85761558
  -Hartree energ DENC   =      -698.69728815
  -exchange      EXHF   =        33.25571087
  -V(xc)+E(xc)   XCENC  =       -83.55169375
  PAW double counting   =    100960.71258585  -100859.75352225
  entropy T*S    EENTRO =        -0.00505503
  eigenvalues    EBANDS =       -35.30198099
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224176 eV

  energy without entropy =      -13.89718673  energy(sigma->0) =      -13.90055675
  exchange ACFDT corr.  =        -0.00490919  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     22(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7302
    SETDIJ:  cpu time      1.2494: real time      1.2546
    TRIAL :  cpu time    585.7319: real time    590.5260
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.2726: real time    593.9499
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time   1177.2490: real time   1186.7330

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1393346E-06  (-0.9991253E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009397 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.85761558
  -Hartree energ DENC   =      -698.72159703
  -exchange      EXHF   =        33.25584706
  -V(xc)+E(xc)   XCENC  =       -83.55165480
  PAW double counting   =    100962.73520797  -100861.77614715
  entropy T*S    EENTRO =        -0.00505616
  eigenvalues    EBANDS =       -35.27781591
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224190 eV

  energy without entropy =      -13.89718574  energy(sigma->0) =      -13.90055651
  exchange ACFDT corr.  =        -0.00491057  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.8441


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8743       2 -69.7664       3 -69.7835       4 -69.7967       5 -69.9212
 
 
 
 E-fermi :   3.1525     XC(G=0):  -5.1213     alpha+bet : -8.9779

 Fermi energy:         3.1524786055

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8859      1.00000
      2      -9.9873      1.00000
      3      -8.6217      1.00000
      4      -6.7612      1.00000
      5      -4.3396      1.00000
      6      -1.5936      1.00000
      7       1.6083      1.00000
      8       4.6228     -0.00000
      9       5.4109     -0.00000
     10       7.9266     -0.00000
     11       7.9853     -0.00000
     12      11.8904      0.00000
     13      12.1811      0.00000
     14      16.0695      0.00000
     15      16.0758      0.00000
     16      16.0835      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6774      1.00000
      2      -9.7782      1.00000
      3      -8.4116      1.00000
      4      -6.5493      1.00000
      5      -4.1236      1.00000
      6      -1.3835      1.00000
      7       1.8219      1.00000
      8       4.8057     -0.00000
      9       5.5852     -0.00000
     10       8.0946     -0.00000
     11       8.1504     -0.00000
     12      12.0192      0.00000
     13      12.2777      0.00000
     14      13.1253      0.00000
     15      13.8552      0.00000
     16      14.3293      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6774      1.00000
      2      -9.7782      1.00000
      3      -8.4116      1.00000
      4      -6.5493      1.00000
      5      -4.1236      1.00000
      6      -1.3835      1.00000
      7       1.8219      1.00000
      8       4.8057     -0.00000
      9       5.5852     -0.00000
     10       8.0946     -0.00000
     11       8.1504     -0.00000
     12      12.0192      0.00000
     13      12.2777      0.00000
     14      13.1253      0.00000
     15      13.8552      0.00000
     16      14.3338      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6774      1.00000
      2      -9.7782      1.00000
      3      -8.4116      1.00000
      4      -6.5493      1.00000
      5      -4.1236      1.00000
      6      -1.3835      1.00000
      7       1.8219      1.00000
      8       4.8057     -0.00000
      9       5.5852     -0.00000
     10       8.0946     -0.00000
     11       8.1504     -0.00000
     12      12.0192      0.00000
     13      12.2777      0.00000
     14      13.1253      0.00000
     15      13.8552      0.00000
     16      14.3292      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0518      1.00000
      2      -9.1508      1.00000
      3      -7.7808      1.00000
      4      -5.9136      1.00000
      5      -3.4767      1.00000
      6      -0.7541      1.00000
      7       2.4486      1.00000
      8       5.3375     -0.00000
      9       6.1032     -0.00000
     10       8.4790     -0.00000
     11       8.6247      0.00000
     12       9.7331      0.00000
     13      10.2751      0.00000
     14      11.3747      0.00000
     15      12.5012      0.00000
     16      12.7675      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0518      1.00000
      2      -9.1508      1.00000
      3      -7.7808      1.00000
      4      -5.9136      1.00000
      5      -3.4767      1.00000
      6      -0.7541      1.00000
      7       2.4486      1.00000
      8       5.3375     -0.00000
      9       6.1032     -0.00000
     10       8.4790     -0.00000
     11       8.6247      0.00000
     12       9.7331      0.00000
     13      10.2751      0.00000
     14      11.3747      0.00000
     15      12.5017      0.00000
     16      12.7801      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0518      1.00000
      2      -9.1508      1.00000
      3      -7.7808      1.00000
      4      -5.9136      1.00000
      5      -3.4767      1.00000
      6      -0.7541      1.00000
      7       2.4486      1.00000
      8       5.3375     -0.00000
      9       6.1032     -0.00000
     10       8.4790     -0.00000
     11       8.6247      0.00000
     12       9.7331      0.00000
     13      10.2751      0.00000
     14      11.3747      0.00000
     15      12.5024      0.00000
     16      12.8151      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0086      1.00000
      2      -8.1039      1.00000
      3      -6.7285      1.00000
      4      -4.8542      1.00000
      5      -2.4045      1.00000
      6       0.2840      1.00000
      7       3.4079     -0.03508
      8       5.6467     -0.00000
      9       6.5421     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0632     -0.00000
     13       9.4023      0.00000
     14       9.5792      0.00000
     15       9.8034      0.00000
     16      11.5867      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0086      1.00000
      2      -8.1039      1.00000
      3      -6.7285      1.00000
      4      -4.8542      1.00000
      5      -2.4045      1.00000
      6       0.2840      1.00000
      7       3.4079     -0.03508
      8       5.6467     -0.00000
      9       6.5421     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0632     -0.00000
     13       9.4023      0.00000
     14       9.5792      0.00000
     15       9.8034      0.00000
     16      11.5891      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0086      1.00000
      2      -8.1039      1.00000
      3      -6.7285      1.00000
      4      -4.8542      1.00000
      5      -2.4045      1.00000
      6       0.2840      1.00000
      7       3.4079     -0.03508
      8       5.6467     -0.00000
      9       6.5421     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0632     -0.00000
     13       9.4023      0.00000
     14       9.5792      0.00000
     15       9.8034      0.00000
     16      11.5982      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5456      1.00000
      2      -6.6354      1.00000
      3      -5.2530      1.00000
      4      -3.3747      1.00000
      5      -0.9381      1.00000
      6       1.5756      1.00000
      7       2.5524      1.00009
      8       3.5267     -0.01198
      9       4.7991     -0.00000
     10       5.1254     -0.00000
     11       6.5236     -0.00000
     12       7.6462     -0.00000
     13       8.2122     -0.00000
     14       8.7081      0.00000
     15      10.5139      0.00000
     16      10.8221      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5456      1.00000
      2      -6.6354      1.00000
      3      -5.2530      1.00000
      4      -3.3747      1.00000
      5      -0.9381      1.00000
      6       1.5756      1.00000
      7       2.5524      1.00009
      8       3.5267     -0.01198
      9       4.7991     -0.00000
     10       5.1254     -0.00000
     11       6.5236     -0.00000
     12       7.6462     -0.00000
     13       8.2122     -0.00000
     14       8.7081      0.00000
     15      10.5139      0.00000
     16      10.8210      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5456      1.00000
      2      -6.6354      1.00000
      3      -5.2530      1.00000
      4      -3.3747      1.00000
      5      -0.9381      1.00000
      6       1.5756      1.00000
      7       2.5524      1.00009
      8       3.5267     -0.01198
      9       4.7991     -0.00000
     10       5.1254     -0.00000
     11       6.5236     -0.00000
     12       7.6462     -0.00000
     13       8.2122     -0.00000
     14       8.7081      0.00000
     15      10.5138      0.00000
     16      10.8221      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6589      1.00000
      2      -4.7426      1.00000
      3      -3.3592      1.00000
      4      -1.5212      1.00000
      5      -0.6612      1.00000
      6       0.1182      1.00000
      7       1.1128      1.00000
      8       2.0152      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00013
     11       5.9304     -0.00000
     12       6.7011     -0.00000
     13       8.2326     -0.00000
     14       9.1916      0.00000
     15       9.7521      0.00000
     16      10.4732      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6589      1.00000
      2      -4.7426      1.00000
      3      -3.3592      1.00000
      4      -1.5212      1.00000
      5      -0.6612      1.00000
      6       0.1182      1.00000
      7       1.1128      1.00000
      8       2.0152      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00013
     11       5.9304     -0.00000
     12       6.7011     -0.00000
     13       8.2326     -0.00000
     14       9.1916      0.00000
     15       9.7521      0.00000
     16      10.4075      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6589      1.00000
      2      -4.7426      1.00000
      3      -3.3592      1.00000
      4      -1.5212      1.00000
      5      -0.6612      1.00000
      6       0.1182      1.00000
      7       1.1128      1.00000
      8       2.0152      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00013
     11       5.9304     -0.00000
     12       6.7011     -0.00000
     13       8.2326     -0.00000
     14       9.1916      0.00000
     15       9.7521      0.00000
     16      10.4116      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3602      1.00000
      2      -3.3384      1.00000
      3      -2.4459      1.00000
      4      -2.4320      1.00000
      5      -1.2959      1.00000
      6      -0.9027      1.00000
      7       0.6398      1.00000
      8       1.3815      1.00000
      9       3.3827     -0.03447
     10       3.5209     -0.01299
     11       5.6742     -0.00000
     12       6.0152     -0.00000
     13       8.4000     -0.00000
     14       8.8570      0.00000
     15      10.2396      0.00000
     16      10.5361      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3602      1.00000
      2      -3.3384      1.00000
      3      -2.4459      1.00000
      4      -2.4320      1.00000
      5      -1.2959      1.00000
      6      -0.9027      1.00000
      7       0.6398      1.00000
      8       1.3815      1.00000
      9       3.3827     -0.03447
     10       3.5209     -0.01299
     11       5.6742     -0.00000
     12       6.0152     -0.00000
     13       8.4000     -0.00000
     14       8.8570      0.00000
     15      10.2396      0.00000
     16      10.5362      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3602      1.00000
      2      -3.3384      1.00000
      3      -2.4459      1.00000
      4      -2.4320      1.00000
      5      -1.2959      1.00000
      6      -0.9027      1.00000
      7       0.6398      1.00000
      8       1.3815      1.00000
      9       3.3827     -0.03447
     10       3.5209     -0.01299
     11       5.6742     -0.00000
     12       6.0152     -0.00000
     13       8.4000     -0.00000
     14       8.8570      0.00000
     15      10.2396      0.00000
     16      10.5361      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2604      1.00000
      2      -9.3600      1.00000
      3      -7.9911      1.00000
      4      -6.1256      1.00000
      5      -3.6921      1.00000
      6      -0.9636      1.00000
      7       2.2425      1.00000
      8       5.1648     -0.00000
      9       5.9320     -0.00000
     10       8.4195     -0.00000
     11       8.4589     -0.00000
     12      11.4341      0.00000
     13      11.4490      0.00000
     14      11.8867      0.00000
     15      12.0152      0.00000
     16      12.6395      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2604      1.00000
      2      -9.3600      1.00000
      3      -7.9911      1.00000
      4      -6.1256      1.00000
      5      -3.6921      1.00000
      6      -0.9636      1.00000
      7       2.2425      1.00000
      8       5.1648     -0.00000
      9       5.9320     -0.00000
     10       8.4195     -0.00000
     11       8.4589     -0.00000
     12      11.4341      0.00000
     13      11.4490      0.00000
     14      11.8868      0.00000
     15      12.0152      0.00000
     16      12.6334      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2604      1.00000
      2      -9.3600      1.00000
      3      -7.9911      1.00000
      4      -6.1256      1.00000
      5      -3.6921      1.00000
      6      -0.9636      1.00000
      7       2.2425      1.00000
      8       5.1648     -0.00000
      9       5.9320     -0.00000
     10       8.4195     -0.00000
     11       8.4589     -0.00000
     12      11.4341      0.00000
     13      11.4490      0.00000
     14      11.8868      0.00000
     15      12.0152      0.00000
     16      12.6391      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0473      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0319      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0827     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5981      0.00000
     16      10.1738      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0827     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.1579      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0827     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0341      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5985      0.00000
     16      10.0488      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6932      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6951      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6929      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6923      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6923      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6932      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3822      1.00000
      2      -7.4753      1.00000
      3      -6.0965      1.00000
      4      -4.2189      1.00000
      5      -1.7666      1.00000
      6       0.8986      1.00000
      7       3.9493     -0.00000
      8       6.0201     -0.00000
      9       6.4991     -0.00000
     10       7.2305     -0.00000
     11       7.3174     -0.00000
     12       7.4888     -0.00000
     13       7.6004     -0.00000
     14       8.3749     -0.00000
     15       8.7412      0.00000
     16      10.0482      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3822      1.00000
      2      -7.4753      1.00000
      3      -6.0965      1.00000
      4      -4.2189      1.00000
      5      -1.7666      1.00000
      6       0.8986      1.00000
      7       3.9493     -0.00000
      8       6.0201     -0.00000
      9       6.4991     -0.00000
     10       7.2305     -0.00000
     11       7.3174     -0.00000
     12       7.4888     -0.00000
     13       7.6004     -0.00000
     14       8.3749     -0.00000
     15       8.7412      0.00000
     16      10.0572      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3822      1.00000
      2      -7.4753      1.00000
      3      -6.0965      1.00000
      4      -4.2189      1.00000
      5      -1.7666      1.00000
      6       0.8986      1.00000
      7       3.9493     -0.00000
      8       6.0201     -0.00000
      9       6.4991     -0.00000
     10       7.2305     -0.00000
     11       7.3174     -0.00000
     12       7.4888     -0.00000
     13       7.6004     -0.00000
     14       8.3749     -0.00000
     15       8.7412      0.00000
     16      10.0536      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7559      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7559      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8385      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8397      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8395      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8595      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8739      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8743      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7343      1.00000
      2      -2.7124      1.00000
      3      -1.8200      1.00000
      4      -1.8120      1.00000
      5      -0.6817      1.00000
      6      -0.2895      1.00000
      7       1.2404      1.00000
      8       1.9734      1.00000
      9       3.7724     -0.00005
     10       3.9009     -0.00000
     11       4.7219     -0.00000
     12       5.7556     -0.00000
     13       6.3932     -0.00000
     14       6.7515     -0.00000
     15       7.1238     -0.00000
     16       8.6872      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7343      1.00000
      2      -2.7124      1.00000
      3      -1.8200      1.00000
      4      -1.8120      1.00000
      5      -0.6817      1.00000
      6      -0.2895      1.00000
      7       1.2404      1.00000
      8       1.9734      1.00000
      9       3.7724     -0.00005
     10       3.9009     -0.00000
     11       4.7219     -0.00000
     12       5.7556     -0.00000
     13       6.3932     -0.00000
     14       6.7515     -0.00000
     15       7.1238     -0.00000
     16       8.6820      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7343      1.00000
      2      -2.7124      1.00000
      3      -1.8200      1.00000
      4      -1.8120      1.00000
      5      -0.6817      1.00000
      6      -0.2895      1.00000
      7       1.2404      1.00000
      8       1.9734      1.00000
      9       3.7724     -0.00005
     10       3.9009     -0.00000
     11       4.7219     -0.00000
     12       5.7556     -0.00000
     13       6.3932     -0.00000
     14       6.7515     -0.00000
     15       7.1238     -0.00000
     16       8.6814      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2416      1.00000
      2      -4.3245      1.00000
      3      -2.9389      1.00000
      4      -1.0851      1.00000
      5       1.1485      1.00000
      6       2.1056      1.00000
      7       2.2687      1.00000
      8       2.9887      0.99547
      9       3.4422     -0.03007
     10       4.2264     -0.00000
     11       4.4854     -0.00000
     12       4.8530     -0.00000
     13       6.2104     -0.00000
     14       6.8504     -0.00000
     15       7.2444     -0.00000
     16       8.6815      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2416      1.00000
      2      -4.3245      1.00000
      3      -2.9389      1.00000
      4      -1.0851      1.00000
      5       1.1485      1.00000
      6       2.1056      1.00000
      7       2.2687      1.00000
      8       2.9887      0.99547
      9       3.4422     -0.03007
     10       4.2264     -0.00000
     11       4.4854     -0.00000
     12       4.8530     -0.00000
     13       6.2104     -0.00000
     14       6.8504     -0.00000
     15       7.2444     -0.00000
     16       8.6854      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2416      1.00000
      2      -4.3245      1.00000
      3      -2.9389      1.00000
      4      -1.0851      1.00000
      5       1.1484      1.00000
      6       2.1056      1.00000
      7       2.2687      1.00000
      8       2.9887      0.99547
      9       3.4422     -0.03007
     10       4.2264     -0.00000
     11       4.4854     -0.00000
     12       4.8530     -0.00000
     13       6.2104     -0.00000
     14       6.8504     -0.00000
     15       7.2444     -0.00000
     16       8.6872      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2235     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2289     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2260     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2254     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2255     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.3585     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8706      1.00000
      2      -0.8548      1.00000
      3      -0.8289      1.00000
      4      -0.0189      1.00000
      5       0.0507      1.00000
      6       0.0650      1.00000
      7       1.0921      1.00000
      8       1.0930      1.00000
      9       1.7925      1.00000
     10       2.6821      1.00217
     11       4.0774     -0.00000
     12       4.1134     -0.00000
     13       5.9683     -0.00000
     14       6.0011     -0.00000
     15       6.0535     -0.00000
     16       8.0119     -0.00000
 Fermi energy:         3.1524786055

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8859      1.00000
      2      -9.9873      1.00000
      3      -8.6217      1.00000
      4      -6.7612      1.00000
      5      -4.3396      1.00000
      6      -1.5936      1.00000
      7       1.6083      1.00000
      8       4.6228     -0.00000
      9       5.4109     -0.00000
     10       7.9266     -0.00000
     11       7.9853     -0.00000
     12      11.8904      0.00000
     13      12.1811      0.00000
     14      16.0688      0.00000
     15      16.0756      0.00000
     16      16.1552      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6774      1.00000
      2      -9.7782      1.00000
      3      -8.4116      1.00000
      4      -6.5493      1.00000
      5      -4.1236      1.00000
      6      -1.3835      1.00000
      7       1.8219      1.00000
      8       4.8057     -0.00000
      9       5.5852     -0.00000
     10       8.0946     -0.00000
     11       8.1504     -0.00000
     12      12.0192      0.00000
     13      12.2777      0.00000
     14      13.1253      0.00000
     15      13.8552      0.00000
     16      14.3287      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6774      1.00000
      2      -9.7782      1.00000
      3      -8.4116      1.00000
      4      -6.5493      1.00000
      5      -4.1236      1.00000
      6      -1.3835      1.00000
      7       1.8219      1.00000
      8       4.8057     -0.00000
      9       5.5852     -0.00000
     10       8.0946     -0.00000
     11       8.1504     -0.00000
     12      12.0192      0.00000
     13      12.2777      0.00000
     14      13.1253      0.00000
     15      13.8552      0.00000
     16      14.3287      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6774      1.00000
      2      -9.7782      1.00000
      3      -8.4116      1.00000
      4      -6.5493      1.00000
      5      -4.1236      1.00000
      6      -1.3835      1.00000
      7       1.8219      1.00000
      8       4.8057     -0.00000
      9       5.5852     -0.00000
     10       8.0946     -0.00000
     11       8.1504     -0.00000
     12      12.0192      0.00000
     13      12.2777      0.00000
     14      13.1253      0.00000
     15      13.8552      0.00000
     16      14.3290      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0518      1.00000
      2      -9.1508      1.00000
      3      -7.7808      1.00000
      4      -5.9136      1.00000
      5      -3.4767      1.00000
      6      -0.7541      1.00000
      7       2.4486      1.00000
      8       5.3375     -0.00000
      9       6.1032     -0.00000
     10       8.4790     -0.00000
     11       8.6247      0.00000
     12       9.7331      0.00000
     13      10.2751      0.00000
     14      11.3747      0.00000
     15      12.5032      0.00000
     16      12.8063      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0518      1.00000
      2      -9.1508      1.00000
      3      -7.7808      1.00000
      4      -5.9136      1.00000
      5      -3.4767      1.00000
      6      -0.7541      1.00000
      7       2.4486      1.00000
      8       5.3375     -0.00000
      9       6.1032     -0.00000
     10       8.4790     -0.00000
     11       8.6247      0.00000
     12       9.7331      0.00000
     13      10.2751      0.00000
     14      11.3747      0.00000
     15      12.5013      0.00000
     16      12.7676      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0518      1.00000
      2      -9.1508      1.00000
      3      -7.7808      1.00000
      4      -5.9136      1.00000
      5      -3.4767      1.00000
      6      -0.7541      1.00000
      7       2.4486      1.00000
      8       5.3375     -0.00000
      9       6.1032     -0.00000
     10       8.4790     -0.00000
     11       8.6247      0.00000
     12       9.7331      0.00000
     13      10.2751      0.00000
     14      11.3747      0.00000
     15      12.5020      0.00000
     16      12.7873      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0086      1.00000
      2      -8.1039      1.00000
      3      -6.7285      1.00000
      4      -4.8542      1.00000
      5      -2.4045      1.00000
      6       0.2840      1.00000
      7       3.4079     -0.03508
      8       5.6467     -0.00000
      9       6.5421     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0632     -0.00000
     13       9.4023      0.00000
     14       9.5792      0.00000
     15       9.8034      0.00000
     16      11.5874      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0086      1.00000
      2      -8.1039      1.00000
      3      -6.7285      1.00000
      4      -4.8542      1.00000
      5      -2.4045      1.00000
      6       0.2840      1.00000
      7       3.4079     -0.03508
      8       5.6467     -0.00000
      9       6.5421     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0632     -0.00000
     13       9.4023      0.00000
     14       9.5792      0.00000
     15       9.8034      0.00000
     16      11.5961      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0086      1.00000
      2      -8.1039      1.00000
      3      -6.7285      1.00000
      4      -4.8542      1.00000
      5      -2.4045      1.00000
      6       0.2840      1.00000
      7       3.4079     -0.03508
      8       5.6467     -0.00000
      9       6.5421     -0.00000
     10       6.8669     -0.00000
     11       7.0502     -0.00000
     12       8.0632     -0.00000
     13       9.4023      0.00000
     14       9.5792      0.00000
     15       9.8034      0.00000
     16      11.5902      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5456      1.00000
      2      -6.6354      1.00000
      3      -5.2530      1.00000
      4      -3.3747      1.00000
      5      -0.9381      1.00000
      6       1.5756      1.00000
      7       2.5524      1.00009
      8       3.5267     -0.01198
      9       4.7991     -0.00000
     10       5.1254     -0.00000
     11       6.5236     -0.00000
     12       7.6462     -0.00000
     13       8.2122     -0.00000
     14       8.7081      0.00000
     15      10.5137      0.00000
     16      10.8224      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5456      1.00000
      2      -6.6354      1.00000
      3      -5.2530      1.00000
      4      -3.3747      1.00000
      5      -0.9381      1.00000
      6       1.5756      1.00000
      7       2.5524      1.00009
      8       3.5267     -0.01198
      9       4.7991     -0.00000
     10       5.1254     -0.00000
     11       6.5236     -0.00000
     12       7.6462     -0.00000
     13       8.2122     -0.00000
     14       8.7081      0.00000
     15      10.5142      0.00000
     16      10.8244      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5456      1.00000
      2      -6.6354      1.00000
      3      -5.2530      1.00000
      4      -3.3747      1.00000
      5      -0.9381      1.00000
      6       1.5756      1.00000
      7       2.5524      1.00009
      8       3.5267     -0.01198
      9       4.7991     -0.00000
     10       5.1254     -0.00000
     11       6.5236     -0.00000
     12       7.6462     -0.00000
     13       8.2122     -0.00000
     14       8.7081      0.00000
     15      10.5140      0.00000
     16      10.8237      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6589      1.00000
      2      -4.7426      1.00000
      3      -3.3592      1.00000
      4      -1.5212      1.00000
      5      -0.6612      1.00000
      6       0.1182      1.00000
      7       1.1128      1.00000
      8       2.0152      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00013
     11       5.9304     -0.00000
     12       6.7011     -0.00000
     13       8.2326     -0.00000
     14       9.1916      0.00000
     15       9.7521      0.00000
     16      10.4127      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6589      1.00000
      2      -4.7426      1.00000
      3      -3.3592      1.00000
      4      -1.5212      1.00000
      5      -0.6612      1.00000
      6       0.1182      1.00000
      7       1.1128      1.00000
      8       2.0152      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00013
     11       5.9304     -0.00000
     12       6.7011     -0.00000
     13       8.2326     -0.00000
     14       9.1916      0.00000
     15       9.7521      0.00000
     16      10.4196      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6589      1.00000
      2      -4.7426      1.00000
      3      -3.3592      1.00000
      4      -1.5212      1.00000
      5      -0.6612      1.00000
      6       0.1182      1.00000
      7       1.1128      1.00000
      8       2.0152      1.00000
      9       3.6476     -0.00130
     10       3.7420     -0.00013
     11       5.9304     -0.00000
     12       6.7011     -0.00000
     13       8.2326     -0.00000
     14       9.1916      0.00000
     15       9.7521      0.00000
     16      10.4213      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3602      1.00000
      2      -3.3384      1.00000
      3      -2.4459      1.00000
      4      -2.4320      1.00000
      5      -1.2959      1.00000
      6      -0.9027      1.00000
      7       0.6398      1.00000
      8       1.3815      1.00000
      9       3.3827     -0.03447
     10       3.5209     -0.01299
     11       5.6742     -0.00000
     12       6.0152     -0.00000
     13       8.4000     -0.00000
     14       8.8570      0.00000
     15      10.2395      0.00000
     16      10.5364      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3602      1.00000
      2      -3.3384      1.00000
      3      -2.4459      1.00000
      4      -2.4320      1.00000
      5      -1.2959      1.00000
      6      -0.9027      1.00000
      7       0.6398      1.00000
      8       1.3815      1.00000
      9       3.3827     -0.03447
     10       3.5209     -0.01299
     11       5.6742     -0.00000
     12       6.0152     -0.00000
     13       8.4000     -0.00000
     14       8.8570      0.00000
     15      10.2396      0.00000
     16      10.5362      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3602      1.00000
      2      -3.3384      1.00000
      3      -2.4459      1.00000
      4      -2.4320      1.00000
      5      -1.2959      1.00000
      6      -0.9027      1.00000
      7       0.6398      1.00000
      8       1.3815      1.00000
      9       3.3827     -0.03447
     10       3.5209     -0.01299
     11       5.6742     -0.00000
     12       6.0152     -0.00000
     13       8.4000     -0.00000
     14       8.8570      0.00000
     15      10.2397      0.00000
     16      10.5361      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2604      1.00000
      2      -9.3600      1.00000
      3      -7.9911      1.00000
      4      -6.1256      1.00000
      5      -3.6921      1.00000
      6      -0.9636      1.00000
      7       2.2425      1.00000
      8       5.1648     -0.00000
      9       5.9320     -0.00000
     10       8.4195     -0.00000
     11       8.4589     -0.00000
     12      11.4341      0.00000
     13      11.4490      0.00000
     14      11.8867      0.00000
     15      12.0152      0.00000
     16      12.6342      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2604      1.00000
      2      -9.3600      1.00000
      3      -7.9911      1.00000
      4      -6.1256      1.00000
      5      -3.6921      1.00000
      6      -0.9636      1.00000
      7       2.2425      1.00000
      8       5.1648     -0.00000
      9       5.9320     -0.00000
     10       8.4195     -0.00000
     11       8.4589     -0.00000
     12      11.4341      0.00000
     13      11.4489      0.00000
     14      11.8867      0.00000
     15      12.0153      0.00000
     16      12.6292      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2604      1.00000
      2      -9.3600      1.00000
      3      -7.9911      1.00000
      4      -6.1256      1.00000
      5      -3.6921      1.00000
      6      -0.9636      1.00000
      7       2.2425      1.00000
      8       5.1648     -0.00000
      9       5.9320     -0.00000
     10       8.4195     -0.00000
     11       8.4589     -0.00000
     12      11.4341      0.00000
     13      11.4490      0.00000
     14      11.8867      0.00000
     15      12.0160      0.00000
     16      12.6836      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4260      1.00000
      2      -8.5229      1.00000
      3      -7.1496      1.00000
      4      -5.2779      1.00000
      5      -2.8321      1.00000
      6      -0.1282      1.00000
      7       3.0489      0.88018
      8       5.8173     -0.00000
      9       6.6007     -0.00000
     10       7.8640     -0.00000
     11       8.5874     -0.00000
     12       9.0025      0.00000
     13       9.4201      0.00000
     14       9.8333      0.00000
     15      10.1850      0.00000
     16      10.7205      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0827     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0336      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0827     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0475      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0374      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0373      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5981      0.00000
     16      10.2545      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1731      1.00000
      2      -7.2654      1.00000
      3      -5.8857      1.00000
      4      -4.0075      1.00000
      5      -1.5569      1.00000
      6       1.0904      1.00000
      7       3.8109     -0.00002
      8       4.6816     -0.00000
      9       5.4040     -0.00000
     10       6.5079     -0.00000
     11       7.0828     -0.00000
     12       7.6963     -0.00000
     13       8.1804     -0.00000
     14       8.9027      0.00000
     15       9.5980      0.00000
     16      10.0497      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4986      1.00000
      2      -5.5847      1.00000
      3      -4.1993      1.00000
      4      -2.3279      1.00000
      5       0.0137      1.00000
      6       1.0063      1.00000
      7       1.9791      1.00000
      8       2.9854      0.99928
      9       3.5212     -0.01281
     10       5.1946     -0.00000
     11       5.8968     -0.00000
     12       7.3246     -0.00000
     13       7.9816     -0.00000
     14       8.6497      0.00000
     15       9.1006      0.00000
     16       9.1247      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6923      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6931      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6930      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6924      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6923      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3993      1.00000
      2      -3.4827      1.00000
      3      -2.1158      1.00000
      4      -1.8874      1.00000
      5      -1.0391      1.00000
      6      -0.3602      1.00000
      7       0.6420      1.00000
      8       2.2885      1.00000
      9       2.6621      1.00142
     10       4.7305     -0.00000
     11       4.9037     -0.00000
     12       7.0258     -0.00000
     13       7.4879     -0.00000
     14       8.0158     -0.00000
     15       8.8382      0.00000
     16       9.6948      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3822      1.00000
      2      -7.4753      1.00000
      3      -6.0965      1.00000
      4      -4.2189      1.00000
      5      -1.7666      1.00000
      6       0.8986      1.00000
      7       3.9493     -0.00000
      8       6.0201     -0.00000
      9       6.4991     -0.00000
     10       7.2305     -0.00000
     11       7.3174     -0.00000
     12       7.4888     -0.00000
     13       7.6004     -0.00000
     14       8.3749     -0.00000
     15       8.7412      0.00000
     16      10.0523      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3822      1.00000
      2      -7.4753      1.00000
      3      -6.0965      1.00000
      4      -4.2189      1.00000
      5      -1.7666      1.00000
      6       0.8986      1.00000
      7       3.9493     -0.00000
      8       6.0201     -0.00000
      9       6.4991     -0.00000
     10       7.2305     -0.00000
     11       7.3174     -0.00000
     12       7.4888     -0.00000
     13       7.6004     -0.00000
     14       8.3749     -0.00000
     15       8.7412      0.00000
     16      10.0471      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3822      1.00000
      2      -7.4753      1.00000
      3      -6.0965      1.00000
      4      -4.2189      1.00000
      5      -1.7666      1.00000
      6       0.8986      1.00000
      7       3.9493     -0.00000
      8       6.0201     -0.00000
      9       6.4991     -0.00000
     10       7.2305     -0.00000
     11       7.3175     -0.00000
     12       7.4888     -0.00000
     13       7.6004     -0.00000
     14       8.3749     -0.00000
     15       8.7412      0.00000
     16      10.0558      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7559      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7558      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9183      1.00000
      2      -6.0058      1.00000
      3      -4.6209      1.00000
      4      -2.7428      1.00000
      5      -0.3178      1.00000
      6       2.1607      1.00000
      7       3.1413      0.55126
      8       4.1016     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9060     -0.00000
     12       6.4793     -0.00000
     13       7.0131     -0.00000
     14       7.7598     -0.00000
     15       8.4107     -0.00000
     16       8.7559      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8418      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8297      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8402      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8451      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8525      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0309      1.00000
      2      -4.1136      1.00000
      3      -2.7308      1.00000
      4      -0.9032      1.00000
      5      -0.0447      1.00000
      6       0.7202      1.00000
      7       1.7037      1.00000
      8       2.5872      1.00024
      9       4.0710     -0.00000
     10       4.2692     -0.00000
     11       4.8726     -0.00000
     12       5.7286     -0.00000
     13       6.6226     -0.00000
     14       7.3946     -0.00000
     15       7.5164     -0.00000
     16       8.8655      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7343      1.00000
      2      -2.7124      1.00000
      3      -1.8200      1.00000
      4      -1.8120      1.00000
      5      -0.6817      1.00000
      6      -0.2895      1.00000
      7       1.2404      1.00000
      8       1.9734      1.00000
      9       3.7724     -0.00005
     10       3.9009     -0.00000
     11       4.7219     -0.00000
     12       5.7556     -0.00000
     13       6.3932     -0.00000
     14       6.7515     -0.00000
     15       7.1238     -0.00000
     16       8.6761      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7343      1.00000
      2      -2.7124      1.00000
      3      -1.8200      1.00000
      4      -1.8120      1.00000
      5      -0.6817      1.00000
      6      -0.2895      1.00000
      7       1.2404      1.00000
      8       1.9734      1.00000
      9       3.7724     -0.00005
     10       3.9009     -0.00000
     11       4.7219     -0.00000
     12       5.7556     -0.00000
     13       6.3932     -0.00000
     14       6.7515     -0.00000
     15       7.1238     -0.00000
     16       8.6760      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7343      1.00000
      2      -2.7124      1.00000
      3      -1.8200      1.00000
      4      -1.8120      1.00000
      5      -0.6817      1.00000
      6      -0.2895      1.00000
      7       1.2404      1.00000
      8       1.9734      1.00000
      9       3.7724     -0.00005
     10       3.9009     -0.00000
     11       4.7219     -0.00000
     12       5.7556     -0.00000
     13       6.3932     -0.00000
     14       6.7515     -0.00000
     15       7.1238     -0.00000
     16       8.6788      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2416      1.00000
      2      -4.3245      1.00000
      3      -2.9389      1.00000
      4      -1.0851      1.00000
      5       1.1485      1.00000
      6       2.1056      1.00000
      7       2.2687      1.00000
      8       2.9887      0.99547
      9       3.4422     -0.03007
     10       4.2264     -0.00000
     11       4.4854     -0.00000
     12       4.8530     -0.00000
     13       6.2104     -0.00000
     14       6.8504     -0.00000
     15       7.2444     -0.00000
     16       8.6833      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2416      1.00000
      2      -4.3245      1.00000
      3      -2.9389      1.00000
      4      -1.0851      1.00000
      5       1.1485      1.00000
      6       2.1056      1.00000
      7       2.2687      1.00000
      8       2.9887      0.99547
      9       3.4422     -0.03007
     10       4.2264     -0.00000
     11       4.4854     -0.00000
     12       4.8530     -0.00000
     13       6.2104     -0.00000
     14       6.8504     -0.00000
     15       7.2444     -0.00000
     16       8.6817      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2416      1.00000
      2      -4.3245      1.00000
      3      -2.9389      1.00000
      4      -1.0851      1.00000
      5       1.1484      1.00000
      6       2.1056      1.00000
      7       2.2687      1.00000
      8       2.9887      0.99547
      9       3.4422     -0.03007
     10       4.2264     -0.00000
     11       4.4854     -0.00000
     12       4.8530     -0.00000
     13       6.2104     -0.00000
     14       6.8504     -0.00000
     15       7.2444     -0.00000
     16       8.6827      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2249     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2269     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2262     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2315     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2262     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1430      1.00000
      2      -2.2300      1.00000
      3      -0.8783      1.00000
      4      -0.6421      1.00000
      5       0.1843      1.00000
      6       0.8212      1.00000
      7       1.7610      1.00000
      8       1.8325      1.00000
      9       2.5561      1.00010
     10       3.1805      0.38338
     11       4.1306     -0.00000
     12       4.6574     -0.00000
     13       6.0466     -0.00000
     14       6.1509     -0.00000
     15       6.3653     -0.00000
     16       8.2301     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8706      1.00000
      2      -0.8548      1.00000
      3      -0.8289      1.00000
      4      -0.0189      1.00000
      5       0.0507      1.00000
      6       0.0650      1.00000
      7       1.0921      1.00000
      8       1.0930      1.00000
      9       1.7925      1.00000
     10       2.6821      1.00217
     11       4.0774     -0.00000
     12       4.1134     -0.00000
     13       5.9683     -0.00000
     14       6.0011     -0.00000
     15       6.0535     -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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  23.496  -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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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
115.767 -61.834  -0.000  -0.079   0.000   0.000  -0.023   0.000
-61.834  33.028   0.000   0.033  -0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.079   0.033  -0.000   1.745   0.000   0.000  -0.267  -0.000
  0.000  -0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.023   0.014   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
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   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    423.1274: real time    426.0750
    FORNL :  cpu time      0.5016: real time      0.5068
    FORCOR:  cpu time      1.9689: real time      1.9795
    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
 -----------------------------------------------------------------------------------------------
   0.178E-06 0.597E-06 0.183E+03   0.439E-13 0.277E-13 -.182E+03   -.182E-06 -.714E-06 -.126E+01
   0.407E-06 0.123E-05 0.911E+02   0.151E-14 0.161E-14 -.911E+02   -.136E-05 -.783E-06 0.145E+00
   -.276E-06 0.308E-05 -.688E+00   -.142E-12 -.797E-13 0.686E+00   0.871E-06 -.386E-05 0.182E-01
   0.199E-05 0.675E-06 -.924E+02   0.133E-12 0.793E-13 0.923E+02   -.281E-05 -.112E-05 0.113E+00
   -.127E-05 -.410E-05 -.181E+03   -.465E-13 -.258E-13 0.180E+03   0.145E-05 0.466E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.780E-06 0.140E-05 -.150E-03   -.971E-14 0.313E-14 0.000E+00   -.203E-05 -.181E-05 0.269E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.128674
      0.00000      0.00000      2.33311        -0.000000      0.000001      0.109505
      1.42873      0.82488      4.65790        -0.000000     -0.000001      0.009909
      2.85746      1.64976      6.98487        -0.000000     -0.000000      0.010583
      0.00000      0.00000      9.37164         0.000001      0.000001     -0.001323
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000      0.028115


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90224190 eV

  energy  without entropy=      -13.89718574  energy(sigma->0) =      -13.90055651
 
 d Force =-0.2682169E-05[-0.114E-05,-0.422E-05]  d Energy =-0.2349116E-05-0.333E-06
 d Force =-0.1193428E+00[-0.119E+00,-0.119E+00]  d Ewald  =-0.1193428E+00 0.419E-10


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


    POTLOK:  cpu time      1.9694: real time      1.9801


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.102E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.8764
 eigenvalue spectrum of G is  0.8764


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


    WAVPRE:  cpu time      0.0060: real time      0.1115
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0847: real time      0.0855
    POTLOK:  cpu time      1.9699: real time      1.9808
    EDDIAG:  cpu time    590.5607: real time    595.2937
    CHARGE:  cpu time      0.2654: real time      0.2674
 writing wavefunctions
     LOOP+:  cpu time   3970.5138: real time   4003.0745


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


    POTLOK:  cpu time      0.7258: real time      0.7316
    SETDIJ:  cpu time      1.2454: real time      1.2505
    TRIAL :  cpu time    590.6872: real time    595.4955
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    592.9381: real time    597.7603

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1709195E-02  (-0.7483971E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009434 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.41361011
  -exchange      EXHF   =        33.25455598
  -V(xc)+E(xc)   XCENC  =       -83.55209728
  PAW double counting   =    100959.27072277  -100858.31160856
  entropy T*S    EENTRO =        -0.00502562
  eigenvalues    EBANDS =       -35.36851116
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90053256 eV

  energy without entropy =      -13.89550694  energy(sigma->0) =      -13.89885736
  exchange ACFDT corr.  =        -0.00487394  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7256: real time      0.7309
    SETDIJ:  cpu time      1.2483: real time      1.2535
    TRIAL :  cpu time    584.3054: real time    589.1351
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2662: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    586.5502: real time    591.3925

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7351385E-03  (-0.6110096E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009448 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.50272228
  -exchange      EXHF   =        33.25459270
  -V(xc)+E(xc)   XCENC  =       -83.55206305
  PAW double counting   =    100958.03673309  -100857.07756679
  entropy T*S    EENTRO =        -0.00503552
  eigenvalues    EBANDS =       -35.27877295
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89979743 eV

  energy without entropy =      -13.89476190  energy(sigma->0) =      -13.89811892
  exchange ACFDT corr.  =        -0.00489588  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7256: real time      0.7311
    SETDIJ:  cpu time      1.2484: real time      1.2535
    TRIAL :  cpu time    588.2823: real time    593.1019
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2644: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    590.5250: real time    595.3572

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2294960E-02  ( 0.1083597E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009455 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.59155315
  -exchange      EXHF   =        33.25485440
  -V(xc)+E(xc)   XCENC  =       -83.55197120
  PAW double counting   =    100960.51561541  -100859.55648924
  entropy T*S    EENTRO =        -0.00502744
  eigenvalues    EBANDS =       -35.19254055
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209239 eV

  energy without entropy =      -13.89706495  energy(sigma->0) =      -13.90041657
  exchange ACFDT corr.  =        -0.00488694  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7305
    SETDIJ:  cpu time      1.2468: real time      1.2520
    TRIAL :  cpu time    588.6032: real time    593.3685
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2659: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    590.8461: real time    595.6240

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1391624E-03  (-0.1228869E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009454 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.51867891
  -exchange      EXHF   =        33.25463719
  -V(xc)+E(xc)   XCENC  =       -83.55204895
  PAW double counting   =    100959.78862962  -100858.82952008
  entropy T*S    EENTRO =        -0.00502058
  eigenvalues    EBANDS =       -35.26497211
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90195322 eV

  energy without entropy =      -13.89693264  energy(sigma->0) =      -13.90027970
  exchange ACFDT corr.  =        -0.00488353  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7301
    SETDIJ:  cpu time      1.2471: real time      1.2523
    TRIAL :  cpu time    589.3224: real time    594.1351
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    591.5643: real time    596.3897

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2925900E-04  (-0.7785454E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009455 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.44630652
  -exchange      EXHF   =        33.25438808
  -V(xc)+E(xc)   XCENC  =       -83.55213206
  PAW double counting   =    100958.46809097  -100857.50895671
  entropy T*S    EENTRO =        -0.00502288
  eigenvalues    EBANDS =       -35.33701461
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90192396 eV

  energy without entropy =      -13.89690109  energy(sigma->0) =      -13.90024967
  exchange ACFDT corr.  =        -0.00488118  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7255: real time      0.7310
    SETDIJ:  cpu time      1.2412: real time      1.2464
    TRIAL :  cpu time    590.3143: real time    595.1406
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2663: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    592.5520: real time    597.3911

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3200214E-03  ( 0.2431649E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009451 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.49381668
  -exchange      EXHF   =        33.25455093
  -V(xc)+E(xc)   XCENC  =       -83.55207376
  PAW double counting   =    100960.50200809  -100859.54289147
  entropy T*S    EENTRO =        -0.00502412
  eigenvalues    EBANDS =       -35.29002568
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224399 eV

  energy without entropy =      -13.89721987  energy(sigma->0) =      -13.90056928
  exchange ACFDT corr.  =        -0.00488176  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7304
    SETDIJ:  cpu time      1.2452: real time      1.2503
    TRIAL :  cpu time    588.8087: real time    593.6276
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    591.0495: real time    595.8810

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4071496E-04  (-0.1990532E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009443 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.52851827
  -exchange      EXHF   =        33.25465741
  -V(xc)+E(xc)   XCENC  =       -83.55203327
  PAW double counting   =    100962.23501308  -100861.27589634
  entropy T*S    EENTRO =        -0.00502116
  eigenvalues    EBANDS =       -35.25542924
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220327 eV

  energy without entropy =      -13.89718211  energy(sigma->0) =      -13.90052955
  exchange ACFDT corr.  =        -0.00488220  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2456: real time      1.2508
    TRIAL :  cpu time    590.4808: real time    595.2970
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    592.7209: real time    597.5499

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9402909E-05  (-0.9537034E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009438 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.51089230
  -exchange      EXHF   =        33.25459511
  -V(xc)+E(xc)   XCENC  =       -83.55205216
  PAW double counting   =    100962.88880688  -100861.92968212
  entropy T*S    EENTRO =        -0.00501772
  eigenvalues    EBANDS =       -35.27299439
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90221267 eV

  energy without entropy =      -13.89719495  energy(sigma->0) =      -13.90054010
  exchange ACFDT corr.  =        -0.00488047  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7304
    SETDIJ:  cpu time      1.2459: real time      1.2512
    TRIAL :  cpu time    586.8085: real time    591.6910
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2665: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    589.0504: real time    593.9458

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4284499E-04  ( 0.2915402E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009434 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.49979040
  -exchange      EXHF   =        33.25457504
  -V(xc)+E(xc)   XCENC  =       -83.55206089
  PAW double counting   =    100963.97552664  -100863.01640384
  entropy T*S    EENTRO =        -0.00501590
  eigenvalues    EBANDS =       -35.28411182
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225552 eV

  energy without entropy =      -13.89723962  energy(sigma->0) =      -13.90058355
  exchange ACFDT corr.  =        -0.00487812  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7307
    SETDIJ:  cpu time      1.2442: real time      1.2494
    TRIAL :  cpu time    590.3855: real time    595.2636
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2644: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    592.6240: real time    597.5149

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8195129E-05  (-0.3156326E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009429 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.50021907
  -exchange      EXHF   =        33.25457641
  -V(xc)+E(xc)   XCENC  =       -83.55206049
  PAW double counting   =    100964.96807888  -100864.00896293
  entropy T*S    EENTRO =        -0.00501510
  eigenvalues    EBANDS =       -35.28367169
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224732 eV

  energy without entropy =      -13.89723223  energy(sigma->0) =      -13.90057563
  exchange ACFDT corr.  =        -0.00487659  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7305
    SETDIJ:  cpu time      1.2456: real time      1.2509
    TRIAL :  cpu time    590.1458: real time    595.0378
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2657: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    592.3874: real time    597.2929

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3372523E-05  (-0.1125849E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009426 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.50401362
  -exchange      EXHF   =        33.25457459
  -V(xc)+E(xc)   XCENC  =       -83.55205975
  PAW double counting   =    100965.67508440  -100864.71596318
  entropy T*S    EENTRO =        -0.00501401
  eigenvalues    EBANDS =       -35.27988551
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225070 eV

  energy without entropy =      -13.89723669  energy(sigma->0) =      -13.90057936
  exchange ACFDT corr.  =        -0.00487610  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     23(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7304
    SETDIJ:  cpu time      1.2429: real time      1.2486
    TRIAL :  cpu time    591.5244: real time    596.4515
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    591.4086: real time    596.2091
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time   1185.1701: real time   1194.9118

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5537469E-05  ( 0.2918348E-07)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009423 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64364322
  -Hartree energ DENC   =      -698.50882579
  -exchange      EXHF   =        33.25457820
  -V(xc)+E(xc)   XCENC  =       -83.55205559
  PAW double counting   =    100966.45928152  -100865.50016265
  entropy T*S    EENTRO =        -0.00501233
  eigenvalues    EBANDS =       -35.27509424
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225623 eV

  energy without entropy =      -13.89724390  energy(sigma->0) =      -13.90058546
  exchange ACFDT corr.  =        -0.00487506  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9865


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8854       2 -69.7740       3 -69.7828       4 -69.7900       5 -69.9110
 
 
 
 E-fermi :   3.1528     XC(G=0):  -5.1215     alpha+bet : -8.9779

 Fermi energy:         3.1528103494

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8854      1.00000
      2      -9.9871      1.00000
      3      -8.6212      1.00000
      4      -6.7612      1.00000
      5      -4.3405      1.00000
      6      -1.5941      1.00000
      7       1.6069      1.00000
      8       4.6220     -0.00000
      9       5.4108     -0.00000
     10       7.9263     -0.00000
     11       7.9850     -0.00000
     12      11.8904      0.00000
     13      12.1806      0.00000
     14      16.0698      0.00000
     15      16.0733      0.00000
     16      16.0796      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6769      1.00000
      2      -9.7780      1.00000
      3      -8.4110      1.00000
      4      -6.5493      1.00000
      5      -4.1245      1.00000
      6      -1.3839      1.00000
      7       1.8206      1.00000
      8       4.8048     -0.00000
      9       5.5851     -0.00000
     10       8.0943     -0.00000
     11       8.1500     -0.00000
     12      12.0193      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8553      0.00000
     16      14.3294      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6769      1.00000
      2      -9.7780      1.00000
      3      -8.4110      1.00000
      4      -6.5493      1.00000
      5      -4.1245      1.00000
      6      -1.3839      1.00000
      7       1.8206      1.00000
      8       4.8048     -0.00000
      9       5.5851     -0.00000
     10       8.0943     -0.00000
     11       8.1500     -0.00000
     12      12.0193      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8553      0.00000
     16      14.3321      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6769      1.00000
      2      -9.7780      1.00000
      3      -8.4110      1.00000
      4      -6.5493      1.00000
      5      -4.1245      1.00000
      6      -1.3839      1.00000
      7       1.8206      1.00000
      8       4.8048     -0.00000
      9       5.5851     -0.00000
     10       8.0943     -0.00000
     11       8.1500     -0.00000
     12      12.0193      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8553      0.00000
     16      14.3294      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0513      1.00000
      2      -9.1505      1.00000
      3      -7.7803      1.00000
      4      -5.9136      1.00000
      5      -3.4776      1.00000
      6      -0.7545      1.00000
      7       2.4474      1.00000
      8       5.3367     -0.00000
      9       6.1031     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7333      0.00000
     13      10.2755      0.00000
     14      11.3753      0.00000
     15      12.5011      0.00000
     16      12.7670      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0513      1.00000
      2      -9.1505      1.00000
      3      -7.7803      1.00000
      4      -5.9136      1.00000
      5      -3.4776      1.00000
      6      -0.7545      1.00000
      7       2.4474      1.00000
      8       5.3367     -0.00000
      9       6.1031     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7333      0.00000
     13      10.2755      0.00000
     14      11.3753      0.00000
     15      12.5014      0.00000
     16      12.7782      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0513      1.00000
      2      -9.1505      1.00000
      3      -7.7803      1.00000
      4      -5.9136      1.00000
      5      -3.4776      1.00000
      6      -0.7545      1.00000
      7       2.4474      1.00000
      8       5.3367     -0.00000
      9       6.1031     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7333      0.00000
     13      10.2755      0.00000
     14      11.3753      0.00000
     15      12.5020      0.00000
     16      12.8098      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0081      1.00000
      2      -8.1036      1.00000
      3      -6.7279      1.00000
      4      -4.8541      1.00000
      5      -2.4054      1.00000
      6       0.2836      1.00000
      7       3.4068     -0.03516
      8       5.6467     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0502     -0.00000
     12       8.0638     -0.00000
     13       9.4022      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5860      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0081      1.00000
      2      -8.1036      1.00000
      3      -6.7279      1.00000
      4      -4.8541      1.00000
      5      -2.4054      1.00000
      6       0.2836      1.00000
      7       3.4068     -0.03516
      8       5.6467     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0502     -0.00000
     12       8.0638     -0.00000
     13       9.4022      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5880      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0081      1.00000
      2      -8.1036      1.00000
      3      -6.7279      1.00000
      4      -4.8541      1.00000
      5      -2.4054      1.00000
      6       0.2836      1.00000
      7       3.4068     -0.03516
      8       5.6467     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0502     -0.00000
     12       8.0638     -0.00000
     13       9.4022      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5956      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5450      1.00000
      2      -6.6351      1.00000
      3      -5.2524      1.00000
      4      -3.3746      1.00000
      5      -0.9389      1.00000
      6       1.5754      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01190
      9       4.7995     -0.00000
     10       5.1247     -0.00000
     11       6.5238     -0.00000
     12       7.6455     -0.00000
     13       8.2121     -0.00000
     14       8.7074      0.00000
     15      10.5136      0.00000
     16      10.8211      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5450      1.00000
      2      -6.6351      1.00000
      3      -5.2524      1.00000
      4      -3.3746      1.00000
      5      -0.9389      1.00000
      6       1.5754      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01190
      9       4.7995     -0.00000
     10       5.1247     -0.00000
     11       6.5238     -0.00000
     12       7.6455     -0.00000
     13       8.2121     -0.00000
     14       8.7074      0.00000
     15      10.5135      0.00000
     16      10.8203      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5450      1.00000
      2      -6.6351      1.00000
      3      -5.2524      1.00000
      4      -3.3746      1.00000
      5      -0.9389      1.00000
      6       1.5754      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01190
      9       4.7995     -0.00000
     10       5.1247     -0.00000
     11       6.5238     -0.00000
     12       7.6455     -0.00000
     13       8.2121     -0.00000
     14       8.7074      0.00000
     15      10.5135      0.00000
     16      10.8214      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7423      1.00000
      3      -3.3586      1.00000
      4      -1.5211      1.00000
      5      -0.6606      1.00000
      6       0.1184      1.00000
      7       1.1125      1.00000
      8       2.0154      1.00000
      9       3.6478     -0.00130
     10       3.7418     -0.00013
     11       5.9297     -0.00000
     12       6.7002     -0.00000
     13       8.2323     -0.00000
     14       9.1910      0.00000
     15       9.7520      0.00000
     16      10.4548      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7423      1.00000
      3      -3.3586      1.00000
      4      -1.5211      1.00000
      5      -0.6606      1.00000
      6       0.1184      1.00000
      7       1.1125      1.00000
      8       2.0154      1.00000
      9       3.6478     -0.00130
     10       3.7418     -0.00013
     11       5.9297     -0.00000
     12       6.7002     -0.00000
     13       8.2323     -0.00000
     14       9.1910      0.00000
     15       9.7520      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      -4.7423      1.00000
      3      -3.3586      1.00000
      4      -1.5211      1.00000
      5      -0.6606      1.00000
      6       0.1184      1.00000
      7       1.1125      1.00000
      8       2.0154      1.00000
      9       3.6478     -0.00130
     10       3.7418     -0.00013
     11       5.9297     -0.00000
     12       6.7002     -0.00000
     13       8.2323     -0.00000
     14       9.1910      0.00000
     15       9.7520      0.00000
     16      10.4104      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3377      1.00000
      3      -2.4458      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9022      1.00000
      7       0.6401      1.00000
      8       1.3815      1.00000
      9       3.3820     -0.03438
     10       3.5201     -0.01311
     11       5.6740     -0.00000
     12       6.0148     -0.00000
     13       8.3991     -0.00000
     14       8.8564      0.00000
     15      10.2400      0.00000
     16      10.5357      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3377      1.00000
      3      -2.4458      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9022      1.00000
      7       0.6401      1.00000
      8       1.3815      1.00000
      9       3.3820     -0.03438
     10       3.5201     -0.01311
     11       5.6740     -0.00000
     12       6.0148     -0.00000
     13       8.3991     -0.00000
     14       8.8564      0.00000
     15      10.2400      0.00000
     16      10.5358      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3377      1.00000
      3      -2.4458      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9022      1.00000
      7       0.6401      1.00000
      8       1.3815      1.00000
      9       3.3820     -0.03438
     10       3.5201     -0.01311
     11       5.6740     -0.00000
     12       6.0148     -0.00000
     13       8.3991     -0.00000
     14       8.8564      0.00000
     15      10.2400      0.00000
     16      10.5357      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2599      1.00000
      2      -9.3597      1.00000
      3      -7.9906      1.00000
      4      -6.1255      1.00000
      5      -3.6930      1.00000
      6      -0.9640      1.00000
      7       2.2412      1.00000
      8       5.1639     -0.00000
      9       5.9319     -0.00000
     10       8.4192     -0.00000
     11       8.4586     -0.00000
     12      11.4341      0.00000
     13      11.4496      0.00000
     14      11.8873      0.00000
     15      12.0153      0.00000
     16      12.6369      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2599      1.00000
      2      -9.3597      1.00000
      3      -7.9906      1.00000
      4      -6.1255      1.00000
      5      -3.6930      1.00000
      6      -0.9640      1.00000
      7       2.2412      1.00000
      8       5.1639     -0.00000
      9       5.9319     -0.00000
     10       8.4192     -0.00000
     11       8.4586     -0.00000
     12      11.4341      0.00000
     13      11.4496      0.00000
     14      11.8874      0.00000
     15      12.0153      0.00000
     16      12.6312      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2599      1.00000
      2      -9.3597      1.00000
      3      -7.9906      1.00000
      4      -6.1255      1.00000
      5      -3.6930      1.00000
      6      -0.9640      1.00000
      7       2.2412      1.00000
      8       5.1639     -0.00000
      9       5.9319     -0.00000
     10       8.4192     -0.00000
     11       8.4586     -0.00000
     12      11.4341      0.00000
     13      11.4496      0.00000
     14      11.8873      0.00000
     15      12.0153      0.00000
     16      12.6378      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0407      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0304      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.1508      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.1351      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0319      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5984      0.00000
     16      10.0435      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6928      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6943      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6926      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6923      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6922      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6928      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3817      1.00000
      2      -7.4749      1.00000
      3      -6.0960      1.00000
      4      -4.2188      1.00000
      5      -1.7675      1.00000
      6       0.8982      1.00000
      7       3.9484     -0.00000
      8       6.0201     -0.00000
      9       6.4994     -0.00000
     10       7.2307     -0.00000
     11       7.3177     -0.00000
     12       7.4886     -0.00000
     13       7.6005     -0.00000
     14       8.3757     -0.00000
     15       8.7416      0.00000
     16      10.0476      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3817      1.00000
      2      -7.4749      1.00000
      3      -6.0960      1.00000
      4      -4.2188      1.00000
      5      -1.7675      1.00000
      6       0.8982      1.00000
      7       3.9484     -0.00000
      8       6.0201     -0.00000
      9       6.4994     -0.00000
     10       7.2307     -0.00000
     11       7.3177     -0.00000
     12       7.4886     -0.00000
     13       7.6005     -0.00000
     14       8.3757     -0.00000
     15       8.7416      0.00000
     16      10.0564      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3817      1.00000
      2      -7.4749      1.00000
      3      -6.0960      1.00000
      4      -4.2188      1.00000
      5      -1.7675      1.00000
      6       0.8982      1.00000
      7       3.9484     -0.00000
      8       6.0201     -0.00000
      9       6.4994     -0.00000
     10       7.2307     -0.00000
     11       7.3177     -0.00000
     12       7.4886     -0.00000
     13       7.6005     -0.00000
     14       8.3757     -0.00000
     15       8.7416      0.00000
     16      10.0535      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8371      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8390      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8387      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8575      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8723      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8725      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7339      1.00000
      2      -2.7116      1.00000
      3      -1.8197      1.00000
      4      -1.8117      1.00000
      5      -0.6809      1.00000
      6      -0.2890      1.00000
      7       1.2406      1.00000
      8       1.9734      1.00000
      9       3.7717     -0.00006
     10       3.9006     -0.00000
     11       4.7223     -0.00000
     12       5.7556     -0.00000
     13       6.3929     -0.00000
     14       6.7511     -0.00000
     15       7.1245     -0.00000
     16       8.6845      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7339      1.00000
      2      -2.7116      1.00000
      3      -1.8197      1.00000
      4      -1.8117      1.00000
      5      -0.6809      1.00000
      6      -0.2890      1.00000
      7       1.2406      1.00000
      8       1.9734      1.00000
      9       3.7717     -0.00006
     10       3.9006     -0.00000
     11       4.7223     -0.00000
     12       5.7556     -0.00000
     13       6.3929     -0.00000
     14       6.7511     -0.00000
     15       7.1245     -0.00000
     16       8.6805      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7339      1.00000
      2      -2.7116      1.00000
      3      -1.8197      1.00000
      4      -1.8117      1.00000
      5      -0.6809      1.00000
      6      -0.2890      1.00000
      7       1.2406      1.00000
      8       1.9734      1.00000
      9       3.7717     -0.00006
     10       3.9006     -0.00000
     11       4.7223     -0.00000
     12       5.7556     -0.00000
     13       6.3929     -0.00000
     14       6.7511     -0.00000
     15       7.1245     -0.00000
     16       8.6800      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.3241      1.00000
      3      -2.9383      1.00000
      4      -1.0849      1.00000
      5       1.1478      1.00000
      6       2.1060      1.00000
      7       2.2696      1.00000
      8       2.9892      0.99475
      9       3.4420     -0.02999
     10       4.2270     -0.00000
     11       4.4855     -0.00000
     12       4.8535     -0.00000
     13       6.2106     -0.00000
     14       6.8505     -0.00000
     15       7.2435     -0.00000
     16       8.6804      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.3241      1.00000
      3      -2.9383      1.00000
      4      -1.0849      1.00000
      5       1.1478      1.00000
      6       2.1060      1.00000
      7       2.2696      1.00000
      8       2.9892      0.99475
      9       3.4420     -0.02999
     10       4.2270     -0.00000
     11       4.4855     -0.00000
     12       4.8535     -0.00000
     13       6.2106     -0.00000
     14       6.8505     -0.00000
     15       7.2435     -0.00000
     16       8.6839      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.3241      1.00000
      3      -2.9383      1.00000
      4      -1.0849      1.00000
      5       1.1478      1.00000
      6       2.1060      1.00000
      7       2.2696      1.00000
      8       2.9892      0.99475
      9       3.4420     -0.02999
     10       4.2270     -0.00000
     11       4.4855     -0.00000
     12       4.8535     -0.00000
     13       6.2106     -0.00000
     14       6.8505     -0.00000
     15       7.2435     -0.00000
     16       8.6853      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38301
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2231     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38301
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2267     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38301
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2250     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38301
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2245     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38301
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2246     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38301
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.3427     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8709      1.00000
      2      -0.8533      1.00000
      3      -0.8282      1.00000
      4      -0.0182      1.00000
      5       0.0491      1.00000
      6       0.0667      1.00000
      7       1.0916      1.00000
      8       1.0954      1.00000
      9       1.7928      1.00000
     10       2.6822      1.00217
     11       4.0817     -0.00000
     12       4.1095     -0.00000
     13       5.9681     -0.00000
     14       5.9998     -0.00000
     15       6.0528     -0.00000
     16       8.0115     -0.00000
 Fermi energy:         3.1528103494

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8854      1.00000
      2      -9.9871      1.00000
      3      -8.6212      1.00000
      4      -6.7612      1.00000
      5      -4.3405      1.00000
      6      -1.5941      1.00000
      7       1.6069      1.00000
      8       4.6220     -0.00000
      9       5.4108     -0.00000
     10       7.9263     -0.00000
     11       7.9850     -0.00000
     12      11.8904      0.00000
     13      12.1806      0.00000
     14      16.0692      0.00000
     15      16.0740      0.00000
     16      16.1377      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6769      1.00000
      2      -9.7780      1.00000
      3      -8.4110      1.00000
      4      -6.5493      1.00000
      5      -4.1245      1.00000
      6      -1.3839      1.00000
      7       1.8206      1.00000
      8       4.8048     -0.00000
      9       5.5851     -0.00000
     10       8.0943     -0.00000
     11       8.1500     -0.00000
     12      12.0193      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8553      0.00000
     16      14.3291      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6769      1.00000
      2      -9.7780      1.00000
      3      -8.4110      1.00000
      4      -6.5493      1.00000
      5      -4.1245      1.00000
      6      -1.3839      1.00000
      7       1.8206      1.00000
      8       4.8048     -0.00000
      9       5.5851     -0.00000
     10       8.0943     -0.00000
     11       8.1500     -0.00000
     12      12.0193      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8553      0.00000
     16      14.3291      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6769      1.00000
      2      -9.7780      1.00000
      3      -8.4110      1.00000
      4      -6.5493      1.00000
      5      -4.1245      1.00000
      6      -1.3839      1.00000
      7       1.8206      1.00000
      8       4.8048     -0.00000
      9       5.5851     -0.00000
     10       8.0943     -0.00000
     11       8.1500     -0.00000
     12      12.0193      0.00000
     13      12.2772      0.00000
     14      13.1256      0.00000
     15      13.8554      0.00000
     16      14.3293      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0513      1.00000
      2      -9.1505      1.00000
      3      -7.7803      1.00000
      4      -5.9136      1.00000
      5      -3.4776      1.00000
      6      -0.7545      1.00000
      7       2.4474      1.00000
      8       5.3367     -0.00000
      9       6.1031     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7333      0.00000
     13      10.2755      0.00000
     14      11.3753      0.00000
     15      12.5026      0.00000
     16      12.8020      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0513      1.00000
      2      -9.1505      1.00000
      3      -7.7803      1.00000
      4      -5.9136      1.00000
      5      -3.4776      1.00000
      6      -0.7545      1.00000
      7       2.4474      1.00000
      8       5.3367     -0.00000
      9       6.1031     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7333      0.00000
     13      10.2755      0.00000
     14      11.3753      0.00000
     15      12.5011      0.00000
     16      12.7672      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0513      1.00000
      2      -9.1505      1.00000
      3      -7.7803      1.00000
      4      -5.9136      1.00000
      5      -3.4776      1.00000
      6      -0.7545      1.00000
      7       2.4474      1.00000
      8       5.3367     -0.00000
      9       6.1031     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7333      0.00000
     13      10.2755      0.00000
     14      11.3753      0.00000
     15      12.5016      0.00000
     16      12.7846      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0081      1.00000
      2      -8.1036      1.00000
      3      -6.7279      1.00000
      4      -4.8541      1.00000
      5      -2.4054      1.00000
      6       0.2836      1.00000
      7       3.4068     -0.03516
      8       5.6467     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0502     -0.00000
     12       8.0638     -0.00000
     13       9.4022      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5866      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0081      1.00000
      2      -8.1036      1.00000
      3      -6.7279      1.00000
      4      -4.8541      1.00000
      5      -2.4054      1.00000
      6       0.2836      1.00000
      7       3.4068     -0.03516
      8       5.6467     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0502     -0.00000
     12       8.0638     -0.00000
     13       9.4022      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5939      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0081      1.00000
      2      -8.1036      1.00000
      3      -6.7279      1.00000
      4      -4.8541      1.00000
      5      -2.4054      1.00000
      6       0.2836      1.00000
      7       3.4068     -0.03516
      8       5.6467     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0502     -0.00000
     12       8.0638     -0.00000
     13       9.4022      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5889      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5450      1.00000
      2      -6.6351      1.00000
      3      -5.2524      1.00000
      4      -3.3746      1.00000
      5      -0.9389      1.00000
      6       1.5754      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01190
      9       4.7995     -0.00000
     10       5.1247     -0.00000
     11       6.5238     -0.00000
     12       7.6455     -0.00000
     13       8.2121     -0.00000
     14       8.7074      0.00000
     15      10.5135      0.00000
     16      10.8216      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5450      1.00000
      2      -6.6351      1.00000
      3      -5.2524      1.00000
      4      -3.3746      1.00000
      5      -0.9389      1.00000
      6       1.5754      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01190
      9       4.7995     -0.00000
     10       5.1247     -0.00000
     11       6.5238     -0.00000
     12       7.6455     -0.00000
     13       8.2121     -0.00000
     14       8.7074      0.00000
     15      10.5138      0.00000
     16      10.8235      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5450      1.00000
      2      -6.6351      1.00000
      3      -5.2524      1.00000
      4      -3.3746      1.00000
      5      -0.9389      1.00000
      6       1.5754      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01190
      9       4.7995     -0.00000
     10       5.1247     -0.00000
     11       6.5238     -0.00000
     12       7.6455     -0.00000
     13       8.2121     -0.00000
     14       8.7074      0.00000
     15      10.5137      0.00000
     16      10.8226      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7423      1.00000
      3      -3.3586      1.00000
      4      -1.5211      1.00000
      5      -0.6606      1.00000
      6       0.1184      1.00000
      7       1.1125      1.00000
      8       2.0154      1.00000
      9       3.6478     -0.00130
     10       3.7418     -0.00013
     11       5.9297     -0.00000
     12       6.7002     -0.00000
     13       8.2323     -0.00000
     14       9.1910      0.00000
     15       9.7520      0.00000
     16      10.4112      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7423      1.00000
      3      -3.3586      1.00000
      4      -1.5211      1.00000
      5      -0.6606      1.00000
      6       0.1184      1.00000
      7       1.1125      1.00000
      8       2.0154      1.00000
      9       3.6478     -0.00130
     10       3.7418     -0.00013
     11       5.9297     -0.00000
     12       6.7002     -0.00000
     13       8.2323     -0.00000
     14       9.1910      0.00000
     15       9.7520      0.00000
     16      10.4158      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7423      1.00000
      3      -3.3586      1.00000
      4      -1.5211      1.00000
      5      -0.6606      1.00000
      6       0.1184      1.00000
      7       1.1125      1.00000
      8       2.0154      1.00000
      9       3.6478     -0.00130
     10       3.7418     -0.00013
     11       5.9297     -0.00000
     12       6.7002     -0.00000
     13       8.2323     -0.00000
     14       9.1910      0.00000
     15       9.7520      0.00000
     16      10.4169      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3377      1.00000
      3      -2.4458      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9022      1.00000
      7       0.6401      1.00000
      8       1.3815      1.00000
      9       3.3820     -0.03438
     10       3.5201     -0.01311
     11       5.6740     -0.00000
     12       6.0148     -0.00000
     13       8.3991     -0.00000
     14       8.8564      0.00000
     15      10.2400      0.00000
     16      10.5359      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3377      1.00000
      3      -2.4458      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9022      1.00000
      7       0.6401      1.00000
      8       1.3815      1.00000
      9       3.3820     -0.03438
     10       3.5201     -0.01311
     11       5.6740     -0.00000
     12       6.0148     -0.00000
     13       8.3991     -0.00000
     14       8.8564      0.00000
     15      10.2400      0.00000
     16      10.5358      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3597      1.00000
      2      -3.3377      1.00000
      3      -2.4458      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9022      1.00000
      7       0.6401      1.00000
      8       1.3815      1.00000
      9       3.3820     -0.03438
     10       3.5201     -0.01311
     11       5.6740     -0.00000
     12       6.0148     -0.00000
     13       8.3991     -0.00000
     14       8.8564      0.00000
     15      10.2400      0.00000
     16      10.5358      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2599      1.00000
      2      -9.3597      1.00000
      3      -7.9906      1.00000
      4      -6.1255      1.00000
      5      -3.6930      1.00000
      6      -0.9640      1.00000
      7       2.2412      1.00000
      8       5.1639     -0.00000
      9       5.9319     -0.00000
     10       8.4193     -0.00000
     11       8.4586     -0.00000
     12      11.4341      0.00000
     13      11.4496      0.00000
     14      11.8873      0.00000
     15      12.0153      0.00000
     16      12.6327      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2599      1.00000
      2      -9.3597      1.00000
      3      -7.9906      1.00000
      4      -6.1255      1.00000
      5      -3.6930      1.00000
      6      -0.9640      1.00000
      7       2.2412      1.00000
      8       5.1639     -0.00000
      9       5.9319     -0.00000
     10       8.4193     -0.00000
     11       8.4586     -0.00000
     12      11.4341      0.00000
     13      11.4496      0.00000
     14      11.8874      0.00000
     15      12.0153      0.00000
     16      12.6277      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2599      1.00000
      2      -9.3597      1.00000
      3      -7.9906      1.00000
      4      -6.1255      1.00000
      5      -3.6930      1.00000
      6      -0.9640      1.00000
      7       2.2412      1.00000
      8       5.1639     -0.00000
      9       5.9319     -0.00000
     10       8.4193     -0.00000
     11       8.4586     -0.00000
     12      11.4341      0.00000
     13      11.4496      0.00000
     14      11.8873      0.00000
     15      12.0158      0.00000
     16      12.6783      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88366
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88366
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88366
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88366
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4255      1.00000
      2      -8.5226      1.00000
      3      -7.1491      1.00000
      4      -5.2778      1.00000
      5      -2.8330      1.00000
      6      -0.1286      1.00000
      7       3.0478      0.88367
      8       5.8166     -0.00000
      9       6.6006     -0.00000
     10       7.8643     -0.00000
     11       8.5877     -0.00000
     12       9.0024      0.00000
     13       9.4200      0.00000
     14       9.8338      0.00000
     15      10.1852      0.00000
     16      10.7211      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0316      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0418      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0343      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0342      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.2499      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1726      1.00000
      2      -7.2651      1.00000
      3      -5.8851      1.00000
      4      -4.0074      1.00000
      5      -1.5577      1.00000
      6       1.0901      1.00000
      7       3.8108     -0.00002
      8       4.6813     -0.00000
      9       5.4042     -0.00000
     10       6.5086     -0.00000
     11       7.0822     -0.00000
     12       7.6962     -0.00000
     13       8.1805     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0442      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4981      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3277      1.00000
      5       0.0130      1.00000
      6       1.0070      1.00000
      7       1.9793      1.00000
      8       2.9851      0.99931
      9       3.5219     -0.01278
     10       5.1948     -0.00000
     11       5.8960     -0.00000
     12       7.3240     -0.00000
     13       7.9815     -0.00000
     14       8.6495      0.00000
     15       9.1001      0.00000
     16       9.1252      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6922      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6927      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6927      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6923      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6922      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3987      1.00000
      2      -3.4823      1.00000
      3      -2.1152      1.00000
      4      -1.8868      1.00000
      5      -1.0387      1.00000
      6      -0.3598      1.00000
      7       0.6424      1.00000
      8       2.2882      1.00000
      9       2.6618      1.00141
     10       4.7299     -0.00000
     11       4.9033     -0.00000
     12       7.0258     -0.00000
     13       7.4876     -0.00000
     14       8.0156     -0.00000
     15       8.8381      0.00000
     16       9.6940      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3817      1.00000
      2      -7.4749      1.00000
      3      -6.0960      1.00000
      4      -4.2188      1.00000
      5      -1.7675      1.00000
      6       0.8982      1.00000
      7       3.9484     -0.00000
      8       6.0201     -0.00000
      9       6.4994     -0.00000
     10       7.2307     -0.00000
     11       7.3177     -0.00000
     12       7.4886     -0.00000
     13       7.6005     -0.00000
     14       8.3757     -0.00000
     15       8.7416      0.00000
     16      10.0511      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3817      1.00000
      2      -7.4749      1.00000
      3      -6.0960      1.00000
      4      -4.2188      1.00000
      5      -1.7675      1.00000
      6       0.8982      1.00000
      7       3.9484     -0.00000
      8       6.0201     -0.00000
      9       6.4994     -0.00000
     10       7.2307     -0.00000
     11       7.3177     -0.00000
     12       7.4886     -0.00000
     13       7.6005     -0.00000
     14       8.3757     -0.00000
     15       8.7416      0.00000
     16      10.0468      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3817      1.00000
      2      -7.4749      1.00000
      3      -6.0960      1.00000
      4      -4.2188      1.00000
      5      -1.7675      1.00000
      6       0.8982      1.00000
      7       3.9484     -0.00000
      8       6.0201     -0.00000
      9       6.4994     -0.00000
     10       7.2307     -0.00000
     11       7.3177     -0.00000
     12       7.4886     -0.00000
     13       7.6005     -0.00000
     14       8.3757     -0.00000
     15       8.7416      0.00000
     16      10.0554      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7557      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9178      1.00000
      2      -6.0055      1.00000
      3      -4.6203      1.00000
      4      -2.7427      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1418      0.54841
      8       4.1017     -0.00000
      9       5.0896     -0.00000
     10       5.3570     -0.00000
     11       5.9056     -0.00000
     12       6.4796     -0.00000
     13       7.0133     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8406      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8292      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8395      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8443      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8515      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0303      1.00000
      2      -4.1132      1.00000
      3      -2.7302      1.00000
      4      -0.9030      1.00000
      5      -0.0440      1.00000
      6       0.7205      1.00000
      7       1.7034      1.00000
      8       2.5874      1.00024
      9       4.0711     -0.00000
     10       4.2693     -0.00000
     11       4.8731     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5157     -0.00000
     16       8.8635      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7339      1.00000
      2      -2.7116      1.00000
      3      -1.8197      1.00000
      4      -1.8117      1.00000
      5      -0.6809      1.00000
      6      -0.2890      1.00000
      7       1.2406      1.00000
      8       1.9734      1.00000
      9       3.7717     -0.00006
     10       3.9006     -0.00000
     11       4.7223     -0.00000
     12       5.7556     -0.00000
     13       6.3929     -0.00000
     14       6.7511     -0.00000
     15       7.1245     -0.00000
     16       8.6761      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7339      1.00000
      2      -2.7116      1.00000
      3      -1.8197      1.00000
      4      -1.8117      1.00000
      5      -0.6809      1.00000
      6      -0.2890      1.00000
      7       1.2406      1.00000
      8       1.9734      1.00000
      9       3.7717     -0.00006
     10       3.9006     -0.00000
     11       4.7223     -0.00000
     12       5.7556     -0.00000
     13       6.3929     -0.00000
     14       6.7511     -0.00000
     15       7.1245     -0.00000
     16       8.6761      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7339      1.00000
      2      -2.7116      1.00000
      3      -1.8197      1.00000
      4      -1.8117      1.00000
      5      -0.6809      1.00000
      6      -0.2890      1.00000
      7       1.2406      1.00000
      8       1.9734      1.00000
      9       3.7717     -0.00006
     10       3.9006     -0.00000
     11       4.7223     -0.00000
     12       5.7556     -0.00000
     13       6.3929     -0.00000
     14       6.7511     -0.00000
     15       7.1245     -0.00000
     16       8.6779      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.3241      1.00000
      3      -2.9383      1.00000
      4      -1.0849      1.00000
      5       1.1478      1.00000
      6       2.1060      1.00000
      7       2.2696      1.00000
      8       2.9892      0.99476
      9       3.4420     -0.02999
     10       4.2270     -0.00000
     11       4.4855     -0.00000
     12       4.8535     -0.00000
     13       6.2106     -0.00000
     14       6.8505     -0.00000
     15       7.2435     -0.00000
     16       8.6819      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.3241      1.00000
      3      -2.9383      1.00000
      4      -1.0849      1.00000
      5       1.1478      1.00000
      6       2.1060      1.00000
      7       2.2696      1.00000
      8       2.9892      0.99475
      9       3.4420     -0.02999
     10       4.2270     -0.00000
     11       4.4855     -0.00000
     12       4.8535     -0.00000
     13       6.2106     -0.00000
     14       6.8505     -0.00000
     15       7.2435     -0.00000
     16       8.6806      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.3241      1.00000
      3      -2.9383      1.00000
      4      -1.0849      1.00000
      5       1.1478      1.00000
      6       2.1060      1.00000
      7       2.2696      1.00000
      8       2.9892      0.99475
      9       3.4420     -0.02999
     10       4.2270     -0.00000
     11       4.4855     -0.00000
     12       4.8535     -0.00000
     13       6.2106     -0.00000
     14       6.8505     -0.00000
     15       7.2435     -0.00000
     16       8.6815      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38302
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2242     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38302
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2255     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38302
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2251     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38302
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2291     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38302
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2251     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1425      1.00000
      2      -2.2297      1.00000
      3      -0.8776      1.00000
      4      -0.6415      1.00000
      5       0.1848      1.00000
      6       0.8215      1.00000
      7       1.7615      1.00000
      8       1.8331      1.00000
      9       2.5562      1.00010
     10       3.1809      0.38302
     11       4.1304     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3647     -0.00000
     16       8.2276     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8709      1.00000
      2      -0.8533      1.00000
      3      -0.8282      1.00000
      4      -0.0182      1.00000
      5       0.0491      1.00000
      6       0.0667      1.00000
      7       1.0916      1.00000
      8       1.0954      1.00000
      9       1.7928      1.00000
     10       2.6822      1.00217
     11       4.0817     -0.00000
     12       4.1095     -0.00000
     13       5.9681     -0.00000
     14       5.9998     -0.00000
     15       6.0528     -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  13.768   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   1.881  -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  15.766  -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  13.768  -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   1.881  -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  15.766  -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
115.769 -61.835  -0.000  -0.079  -0.000   0.000  -0.023   0.000
-61.835  33.028   0.000   0.033   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.079   0.033   0.000   1.745   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   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      0.0019
    FORHF :  cpu time    423.9194: real time    426.8933
    FORNL :  cpu time      0.5020: real time      0.5072
    FORCOR:  cpu time      1.9636: real time      1.9744
    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
 -----------------------------------------------------------------------------------------------
   -.874E-06 -.240E-05 0.183E+03   0.433E-13 0.277E-13 -.182E+03   0.107E-05 0.260E-05 -.126E+01
   0.922E-06 0.922E-06 0.911E+02   0.210E-14 0.213E-14 -.911E+02   -.144E-05 -.577E-06 0.145E+00
   0.332E-05 -.122E-06 -.714E+00   -.144E-12 -.828E-13 0.691E+00   -.344E-05 0.243E-06 0.175E-01
   0.747E-06 0.803E-06 -.924E+02   0.129E-12 0.805E-13 0.923E+02   -.128E-05 -.235E-06 0.112E+00
   -.505E-06 -.299E-05 -.181E+03   -.395E-13 -.244E-13 0.180E+03   0.796E-06 0.331E-05 0.100E+01
 -----------------------------------------------------------------------------------------------
   0.488E-05 -.338E-05 -.390E-01   -.971E-14 0.313E-14 -.284E-13   -.429E-05 0.534E-05 0.183E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.118218
      0.00000      0.00000      2.33311        -0.000000      0.000000      0.103754
      1.42873      0.82488      4.65815        -0.000000     -0.000001     -0.001508
      2.85746      1.64976      6.98545        -0.000000      0.000000      0.005500
      0.00000      0.00000      9.37253         0.000001      0.000000      0.010473
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000002     -0.019854


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90225623 eV

  energy  without entropy=      -13.89724390  energy(sigma->0) =      -13.90058546
 
 d Force = 0.9801168E-05[ 0.122E-04, 0.744E-05]  d Energy = 0.1433515E-04-0.453E-05
 d Force = 0.2139724E+00[ 0.214E+00, 0.214E+00]  d Ewald  = 0.2139724E+00-0.297E-10


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


    POTLOK:  cpu time      1.9616: real time      1.9723


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.686E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.3313
 eigenvalue spectrum of G is  0.3313


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


    WAVPRE:  cpu time      0.0060: real time      0.0585
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0848
    POTLOK:  cpu time      1.9606: real time      1.9713
    EDDIAG:  cpu time    589.4994: real time    594.2340
    CHARGE:  cpu time      0.2642: real time      0.2662
 writing wavefunctions
     LOOP+:  cpu time   8709.0729: real time   8780.5246


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


    POTLOK:  cpu time      0.7269: real time      0.7322
    SETDIJ:  cpu time      1.2371: real time      1.2426
    TRIAL :  cpu time    586.4824: real time    591.3602
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    588.7261: real time    593.6181

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9544092E-03  (-0.4212523E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009425 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.46084755
  -exchange      EXHF   =        33.25443744
  -V(xc)+E(xc)   XCENC  =       -83.55210313
  PAW double counting   =    100965.63654140  -100864.67741580
  entropy T*S    EENTRO =        -0.00499709
  eigenvalues    EBANDS =       -35.31870968
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90129629 eV

  energy without entropy =      -13.89629920  energy(sigma->0) =      -13.89963059
  exchange ACFDT corr.  =        -0.00486483  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7256: real time      0.7311
    SETDIJ:  cpu time      1.2414: real time      1.2470
    TRIAL :  cpu time    591.3064: real time    596.1572
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    593.5427: real time    598.4066

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4210526E-03  (-0.3441663E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009414 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.53401184
  -exchange      EXHF   =        33.25473684
  -V(xc)+E(xc)   XCENC  =       -83.55200145
  PAW double counting   =    100968.30637846  -100867.34724281
  entropy T*S    EENTRO =        -0.00499938
  eigenvalues    EBANDS =       -35.24553395
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90087523 eV

  energy without entropy =      -13.89587585  energy(sigma->0) =      -13.89920877
  exchange ACFDT corr.  =        -0.00485984  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2455: real time      1.2506
    TRIAL :  cpu time    588.7662: real time    593.6440
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    591.0072: real time    595.8977

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1297623E-02  ( 0.7180806E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009410 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.49894775
  -exchange      EXHF   =        33.25459630
  -V(xc)+E(xc)   XCENC  =       -83.55204571
  PAW double counting   =    100967.52392957  -100866.56480490
  entropy T*S    EENTRO =        -0.00499923
  eigenvalues    EBANDS =       -35.28169759
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90217286 eV

  energy without entropy =      -13.89717362  energy(sigma->0) =      -13.90050645
  exchange ACFDT corr.  =        -0.00487537  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2468: real time      1.2524
    TRIAL :  cpu time    584.4683: real time    589.3506
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    586.7104: real time    591.6057

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8799347E-04  (-0.7003765E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009412 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.49148381
  -exchange      EXHF   =        33.25457737
  -V(xc)+E(xc)   XCENC  =       -83.55205119
  PAW double counting   =    100967.91117908  -100866.95206068
  entropy T*S    EENTRO =        -0.00499940
  eigenvalues    EBANDS =       -35.28904300
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90208486 eV

  energy without entropy =      -13.89708547  energy(sigma->0) =      -13.90041840
  exchange ACFDT corr.  =        -0.00486663  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7302
    SETDIJ:  cpu time      1.2474: real time      1.2530
    TRIAL :  cpu time    588.4200: real time    593.2882
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    590.6620: real time    595.5432

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1268576E-04  (-0.4335517E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009406 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.51055827
  -exchange      EXHF   =        33.25465997
  -V(xc)+E(xc)   XCENC  =       -83.55202589
  PAW double counting   =    100969.18880222  -100868.22967173
  entropy T*S    EENTRO =        -0.00499976
  eigenvalues    EBANDS =       -35.27007569
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207218 eV

  energy without entropy =      -13.89707242  energy(sigma->0) =      -13.90040559
  exchange ACFDT corr.  =        -0.00486526  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7301
    SETDIJ:  cpu time      1.2450: real time      1.2502
    TRIAL :  cpu time    588.1552: real time    593.0116
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    590.3956: real time    595.2647

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1793329E-03  ( 0.1455318E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009403 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.49836264
  -exchange      EXHF   =        33.25460124
  -V(xc)+E(xc)   XCENC  =       -83.55204374
  PAW double counting   =    100969.17915074  -100868.22002473
  entropy T*S    EENTRO =        -0.00499974
  eigenvalues    EBANDS =       -35.28236921
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225151 eV

  energy without entropy =      -13.89725177  energy(sigma->0) =      -13.90058493
  exchange ACFDT corr.  =        -0.00486580  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7303
    SETDIJ:  cpu time      1.2459: real time      1.2511
    TRIAL :  cpu time    588.7130: real time    593.5341
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2658: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    590.9537: real time    595.7876

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2437261E-04  (-0.1137799E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009402 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.49752358
  -exchange      EXHF   =        33.25458890
  -V(xc)+E(xc)   XCENC  =       -83.55204728
  PAW double counting   =    100969.55038872  -100868.59126465
  entropy T*S    EENTRO =        -0.00499941
  eigenvalues    EBANDS =       -35.28316611
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90222714 eV

  energy without entropy =      -13.89722773  energy(sigma->0) =      -13.90056067
  exchange ACFDT corr.  =        -0.00486628  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2466: real time      1.2518
    TRIAL :  cpu time    592.0088: real time    596.8286
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    594.2502: real time    599.0827

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5952999E-05  (-0.5272681E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009399 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.50542289
  -exchange      EXHF   =        33.25461831
  -V(xc)+E(xc)   XCENC  =       -83.55203878
  PAW double counting   =    100970.26316841  -100869.30404026
  entropy T*S    EENTRO =        -0.00499871
  eigenvalues    EBANDS =       -35.27531508
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90223309 eV

  energy without entropy =      -13.89723438  energy(sigma->0) =      -13.90056685
  exchange ACFDT corr.  =        -0.00486539  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7304
    SETDIJ:  cpu time      1.2451: real time      1.2503
    TRIAL :  cpu time    590.0193: real time    594.7974
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2659: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    592.2596: real time    597.0505

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2391651E-04  ( 0.1600316E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009396 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.49943313
  -exchange      EXHF   =        33.25459434
  -V(xc)+E(xc)   XCENC  =       -83.55204634
  PAW double counting   =    100970.45537144  -100869.49624128
  entropy T*S    EENTRO =        -0.00499810
  eigenvalues    EBANDS =       -35.28129993
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225701 eV

  energy without entropy =      -13.89725891  energy(sigma->0) =      -13.90059097
  exchange ACFDT corr.  =        -0.00486470  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7301
    SETDIJ:  cpu time      1.2446: real time      1.2496
    TRIAL :  cpu time    590.1837: real time    595.0003
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2643: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    592.4220: real time    597.2513

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4794681E-05  (-0.1788199E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009395 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.49784709
  -exchange      EXHF   =        33.25458839
  -V(xc)+E(xc)   XCENC  =       -83.55204810
  PAW double counting   =    100970.76382228  -100869.80469389
  entropy T*S    EENTRO =        -0.00499769
  eigenvalues    EBANDS =       -35.28287230
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225221 eV

  energy without entropy =      -13.89725453  energy(sigma->0) =      -13.90058632
  exchange ACFDT corr.  =        -0.00486478  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     24(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7302
    SETDIJ:  cpu time      1.2462: real time      1.2517
    TRIAL :  cpu time    591.0375: real time    595.8712
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    591.3075: real time    596.0399
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time   1184.5872: real time   1194.1663

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2013505E-05  (-0.6072643E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009393 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.64041235
  -Hartree energ DENC   =      -698.50195466
  -exchange      EXHF   =        33.25460063
  -V(xc)+E(xc)   XCENC  =       -83.55204287
  PAW double counting   =    100971.22986462  -100870.27073398
  entropy T*S    EENTRO =        -0.00499723
  eigenvalues    EBANDS =       -35.27879126
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225423 eV

  energy without entropy =      -13.89725699  energy(sigma->0) =      -13.90058848
  exchange ACFDT corr.  =        -0.00486423  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9459


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8732       2 -69.7657       3 -69.7836       4 -69.7991       5 -69.9229
 
 
 
 E-fermi :   3.1527     XC(G=0):  -5.1215     alpha+bet : -8.9779

 Fermi energy:         3.1527485398

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8852      1.00000
      2      -9.9876      1.00000
      3      -8.6219      1.00000
      4      -6.7614      1.00000
      5      -4.3406      1.00000
      6      -1.5942      1.00000
      7       1.6065      1.00000
      8       4.6220     -0.00000
      9       5.4112     -0.00000
     10       7.9266     -0.00000
     11       7.9850     -0.00000
     12      11.8905      0.00000
     13      12.1806      0.00000
     14      16.0702      0.00000
     15      16.0727      0.00000
     16      16.0773      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7785      1.00000
      3      -8.4117      1.00000
      4      -6.5495      1.00000
      5      -4.1246      1.00000
      6      -1.3840      1.00000
      7       1.8201      1.00000
      8       4.8049     -0.00000
      9       5.5855     -0.00000
     10       8.0946     -0.00000
     11       8.1501     -0.00000
     12      12.0194      0.00000
     13      12.2773      0.00000
     14      13.1259      0.00000
     15      13.8550      0.00000
     16      14.3297      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7785      1.00000
      3      -8.4117      1.00000
      4      -6.5495      1.00000
      5      -4.1246      1.00000
      6      -1.3840      1.00000
      7       1.8201      1.00000
      8       4.8049     -0.00000
      9       5.5855     -0.00000
     10       8.0946     -0.00000
     11       8.1501     -0.00000
     12      12.0194      0.00000
     13      12.2773      0.00000
     14      13.1259      0.00000
     15      13.8550      0.00000
     16      14.3314      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7785      1.00000
      3      -8.4117      1.00000
      4      -6.5495      1.00000
      5      -4.1246      1.00000
      6      -1.3840      1.00000
      7       1.8201      1.00000
      8       4.8049     -0.00000
      9       5.5855     -0.00000
     10       8.0946     -0.00000
     11       8.1501     -0.00000
     12      12.0194      0.00000
     13      12.2773      0.00000
     14      13.1259      0.00000
     15      13.8550      0.00000
     16      14.3296      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0511      1.00000
      2      -9.1510      1.00000
      3      -7.7810      1.00000
      4      -5.9138      1.00000
      5      -3.4776      1.00000
      6      -0.7546      1.00000
      7       2.4470      1.00000
      8       5.3367     -0.00000
      9       6.1035     -0.00000
     10       8.4791     -0.00000
     11       8.6246      0.00000
     12       9.7336      0.00000
     13      10.2750      0.00000
     14      11.3745      0.00000
     15      12.5011      0.00000
     16      12.7667      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0511      1.00000
      2      -9.1510      1.00000
      3      -7.7810      1.00000
      4      -5.9138      1.00000
      5      -3.4776      1.00000
      6      -0.7546      1.00000
      7       2.4470      1.00000
      8       5.3367     -0.00000
      9       6.1035     -0.00000
     10       8.4791     -0.00000
     11       8.6246      0.00000
     12       9.7336      0.00000
     13      10.2750      0.00000
     14      11.3745      0.00000
     15      12.5014      0.00000
     16      12.7768      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0511      1.00000
      2      -9.1510      1.00000
      3      -7.7810      1.00000
      4      -5.9138      1.00000
      5      -3.4776      1.00000
      6      -0.7546      1.00000
      7       2.4470      1.00000
      8       5.3367     -0.00000
      9       6.1035     -0.00000
     10       8.4791     -0.00000
     11       8.6246      0.00000
     12       9.7336      0.00000
     13      10.2750      0.00000
     14      11.3745      0.00000
     15      12.5019      0.00000
     16      12.8066      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0078      1.00000
      2      -8.1042      1.00000
      3      -6.7286      1.00000
      4      -4.8543      1.00000
      5      -2.4055      1.00000
      6       0.2836      1.00000
      7       3.4065     -0.03517
      8       5.6469     -0.00000
      9       6.5419     -0.00000
     10       6.8666     -0.00000
     11       7.0505     -0.00000
     12       8.0631     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5859      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0078      1.00000
      2      -8.1042      1.00000
      3      -6.7286      1.00000
      4      -4.8543      1.00000
      5      -2.4055      1.00000
      6       0.2836      1.00000
      7       3.4065     -0.03517
      8       5.6469     -0.00000
      9       6.5419     -0.00000
     10       6.8666     -0.00000
     11       7.0505     -0.00000
     12       8.0631     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5876      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0078      1.00000
      2      -8.1042      1.00000
      3      -6.7286      1.00000
      4      -4.8543      1.00000
      5      -2.4055      1.00000
      6       0.2836      1.00000
      7       3.4065     -0.03517
      8       5.6469     -0.00000
      9       6.5419     -0.00000
     10       6.8666     -0.00000
     11       7.0505     -0.00000
     12       8.0631     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5941      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5448      1.00000
      2      -6.6356      1.00000
      3      -5.2531      1.00000
      4      -3.3748      1.00000
      5      -0.9390      1.00000
      6       1.5754      1.00000
      7       2.5531      1.00009
      8       3.5265     -0.01193
      9       4.7988     -0.00000
     10       5.1242     -0.00000
     11       6.5235     -0.00000
     12       7.6456     -0.00000
     13       8.2125     -0.00000
     14       8.7073      0.00000
     15      10.5137      0.00000
     16      10.8207      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5448      1.00000
      2      -6.6356      1.00000
      3      -5.2531      1.00000
      4      -3.3748      1.00000
      5      -0.9390      1.00000
      6       1.5754      1.00000
      7       2.5531      1.00009
      8       3.5265     -0.01193
      9       4.7988     -0.00000
     10       5.1242     -0.00000
     11       6.5235     -0.00000
     12       7.6456     -0.00000
     13       8.2125     -0.00000
     14       8.7073      0.00000
     15      10.5137      0.00000
     16      10.8199      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5448      1.00000
      2      -6.6356      1.00000
      3      -5.2531      1.00000
      4      -3.3748      1.00000
      5      -0.9390      1.00000
      6       1.5754      1.00000
      7       2.5531      1.00009
      8       3.5265     -0.01193
      9       4.7988     -0.00000
     10       5.1242     -0.00000
     11       6.5235     -0.00000
     12       7.6456     -0.00000
     13       8.2125     -0.00000
     14       8.7073      0.00000
     15      10.5137      0.00000
     16      10.8211      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6581      1.00000
      2      -4.7428      1.00000
      3      -3.3593      1.00000
      4      -1.5213      1.00000
      5      -0.6603      1.00000
      6       0.1179      1.00000
      7       1.1122      1.00000
      8       2.0149      1.00000
      9       3.6474     -0.00130
     10       3.7417     -0.00013
     11       5.9296     -0.00000
     12       6.6999     -0.00000
     13       8.2322     -0.00000
     14       9.1911      0.00000
     15       9.7524      0.00000
     16      10.4424      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6581      1.00000
      2      -4.7428      1.00000
      3      -3.3593      1.00000
      4      -1.5213      1.00000
      5      -0.6603      1.00000
      6       0.1179      1.00000
      7       1.1122      1.00000
      8       2.0149      1.00000
      9       3.6474     -0.00130
     10       3.7417     -0.00013
     11       5.9296     -0.00000
     12       6.6999     -0.00000
     13       8.2322     -0.00000
     14       9.1911      0.00000
     15       9.7524      0.00000
     16      10.4081      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6581      1.00000
      2      -4.7428      1.00000
      3      -3.3593      1.00000
      4      -1.5213      1.00000
      5      -0.6603      1.00000
      6       0.1179      1.00000
      7       1.1122      1.00000
      8       2.0149      1.00000
      9       3.6474     -0.00130
     10       3.7417     -0.00013
     11       5.9296     -0.00000
     12       6.6999     -0.00000
     13       8.2322     -0.00000
     14       9.1911      0.00000
     15       9.7524      0.00000
     16      10.4099      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3593      1.00000
      2      -3.3375      1.00000
      3      -2.4462      1.00000
      4      -2.4320      1.00000
      5      -1.2960      1.00000
      6      -0.9028      1.00000
      7       0.6398      1.00000
      8       1.3814      1.00000
      9       3.3819     -0.03438
     10       3.5200     -0.01312
     11       5.6739     -0.00000
     12       6.0147     -0.00000
     13       8.3987     -0.00000
     14       8.8561      0.00000
     15      10.2404      0.00000
     16      10.5359      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3593      1.00000
      2      -3.3375      1.00000
      3      -2.4462      1.00000
      4      -2.4320      1.00000
      5      -1.2960      1.00000
      6      -0.9028      1.00000
      7       0.6398      1.00000
      8       1.3814      1.00000
      9       3.3819     -0.03438
     10       3.5200     -0.01312
     11       5.6739     -0.00000
     12       6.0147     -0.00000
     13       8.3987     -0.00000
     14       8.8561      0.00000
     15      10.2404      0.00000
     16      10.5359      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3593      1.00000
      2      -3.3375      1.00000
      3      -2.4462      1.00000
      4      -2.4320      1.00000
      5      -1.2960      1.00000
      6      -0.9028      1.00000
      7       0.6398      1.00000
      8       1.3814      1.00000
      9       3.3819     -0.03438
     10       3.5200     -0.01312
     11       5.6739     -0.00000
     12       6.0147     -0.00000
     13       8.3987     -0.00000
     14       8.8561      0.00000
     15      10.2404      0.00000
     16      10.5359      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2597      1.00000
      2      -9.3602      1.00000
      3      -7.9913      1.00000
      4      -6.1257      1.00000
      5      -3.6931      1.00000
      6      -0.9641      1.00000
      7       2.2408      1.00000
      8       5.1640     -0.00000
      9       5.9323     -0.00000
     10       8.4195     -0.00000
     11       8.4586     -0.00000
     12      11.4350      0.00000
     13      11.4497      0.00000
     14      11.8865      0.00000
     15      12.0150      0.00000
     16      12.6352      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2597      1.00000
      2      -9.3602      1.00000
      3      -7.9913      1.00000
      4      -6.1257      1.00000
      5      -3.6931      1.00000
      6      -0.9641      1.00000
      7       2.2408      1.00000
      8       5.1640     -0.00000
      9       5.9323     -0.00000
     10       8.4195     -0.00000
     11       8.4586     -0.00000
     12      11.4350      0.00000
     13      11.4497      0.00000
     14      11.8865      0.00000
     15      12.0150      0.00000
     16      12.6304      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2597      1.00000
      2      -9.3602      1.00000
      3      -7.9913      1.00000
      4      -6.1257      1.00000
      5      -3.6931      1.00000
      6      -0.9641      1.00000
      7       2.2408      1.00000
      8       5.1640     -0.00000
      9       5.9323     -0.00000
     10       8.4195     -0.00000
     11       8.4586     -0.00000
     12      11.4350      0.00000
     13      11.4497      0.00000
     14      11.8865      0.00000
     15      12.0150      0.00000
     16      12.6350      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0371      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0297      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5978      0.00000
     16      10.1312      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5978      0.00000
     16      10.1165      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0309      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5978      0.00000
     16      10.0404      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6921      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6934      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6919      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6917      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6917      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6920      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3815      1.00000
      2      -7.4755      1.00000
      3      -6.0967      1.00000
      4      -4.2190      1.00000
      5      -1.7676      1.00000
      6       0.8981      1.00000
      7       3.9480     -0.00000
      8       6.0204     -0.00000
      9       6.4997     -0.00000
     10       7.2306     -0.00000
     11       7.3173     -0.00000
     12       7.4885     -0.00000
     13       7.6007     -0.00000
     14       8.3747     -0.00000
     15       8.7411      0.00000
     16      10.0475      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3815      1.00000
      2      -7.4755      1.00000
      3      -6.0967      1.00000
      4      -4.2190      1.00000
      5      -1.7676      1.00000
      6       0.8981      1.00000
      7       3.9480     -0.00000
      8       6.0204     -0.00000
      9       6.4997     -0.00000
     10       7.2306     -0.00000
     11       7.3173     -0.00000
     12       7.4885     -0.00000
     13       7.6007     -0.00000
     14       8.3747     -0.00000
     15       8.7411      0.00000
     16      10.0563      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3815      1.00000
      2      -7.4755      1.00000
      3      -6.0967      1.00000
      4      -4.2190      1.00000
      5      -1.7676      1.00000
      6       0.8981      1.00000
      7       3.9480     -0.00000
      8       6.0204     -0.00000
      9       6.4997     -0.00000
     10       7.2306     -0.00000
     11       7.3173     -0.00000
     12       7.4885     -0.00000
     13       7.6007     -0.00000
     14       8.3747     -0.00000
     15       8.7411      0.00000
     16      10.0535      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8366      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8374      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8376      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8562      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8718      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8719      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7334      1.00000
      2      -2.7115      1.00000
      3      -1.8201      1.00000
      4      -1.8123      1.00000
      5      -0.6818      1.00000
      6      -0.2896      1.00000
      7       1.2404      1.00000
      8       1.9733      1.00000
      9       3.7717     -0.00005
     10       3.9005     -0.00000
     11       4.7221     -0.00000
     12       5.7553     -0.00000
     13       6.3930     -0.00000
     14       6.7511     -0.00000
     15       7.1237     -0.00000
     16       8.6821      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7334      1.00000
      2      -2.7115      1.00000
      3      -1.8201      1.00000
      4      -1.8123      1.00000
      5      -0.6818      1.00000
      6      -0.2896      1.00000
      7       1.2404      1.00000
      8       1.9733      1.00000
      9       3.7718     -0.00005
     10       3.9005     -0.00000
     11       4.7221     -0.00000
     12       5.7553     -0.00000
     13       6.3930     -0.00000
     14       6.7511     -0.00000
     15       7.1237     -0.00000
     16       8.6792      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7334      1.00000
      2      -2.7115      1.00000
      3      -1.8201      1.00000
      4      -1.8123      1.00000
      5      -0.6818      1.00000
      6      -0.2896      1.00000
      7       1.2404      1.00000
      8       1.9733      1.00000
      9       3.7717     -0.00005
     10       3.9005     -0.00000
     11       4.7221     -0.00000
     12       5.7553     -0.00000
     13       6.3930     -0.00000
     14       6.7511     -0.00000
     15       7.1237     -0.00000
     16       8.6788      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2408      1.00000
      2      -4.3246      1.00000
      3      -2.9390      1.00000
      4      -1.0851      1.00000
      5       1.1478      1.00000
      6       2.1064      1.00000
      7       2.2694      1.00000
      8       2.9887      0.99487
      9       3.4420     -0.03002
     10       4.2261     -0.00000
     11       4.4852     -0.00000
     12       4.8529     -0.00000
     13       6.2103     -0.00000
     14       6.8502     -0.00000
     15       7.2431     -0.00000
     16       8.6803      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2408      1.00000
      2      -4.3246      1.00000
      3      -2.9390      1.00000
      4      -1.0851      1.00000
      5       1.1478      1.00000
      6       2.1064      1.00000
      7       2.2694      1.00000
      8       2.9887      0.99487
      9       3.4420     -0.03002
     10       4.2262     -0.00000
     11       4.4852     -0.00000
     12       4.8529     -0.00000
     13       6.2103     -0.00000
     14       6.8502     -0.00000
     15       7.2431     -0.00000
     16       8.6833      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2408      1.00000
      2      -4.3246      1.00000
      3      -2.9390      1.00000
      4      -1.0851      1.00000
      5       1.1478      1.00000
      6       2.1064      1.00000
      7       2.2694      1.00000
      8       2.9887      0.99487
      9       3.4420     -0.03002
     10       4.2262     -0.00000
     11       4.4852     -0.00000
     12       4.8529     -0.00000
     13       6.2103     -0.00000
     14       6.8502     -0.00000
     15       7.2431     -0.00000
     16       8.6847      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38285
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2229     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7616      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2257     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2244     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2241     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2242     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.3299     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8696      1.00000
      2      -0.8540      1.00000
      3      -0.8280      1.00000
      4      -0.0189      1.00000
      5       0.0505      1.00000
      6       0.0647      1.00000
      7       1.0918      1.00000
      8       1.0931      1.00000
      9       1.7924      1.00000
     10       2.6822      1.00218
     11       4.0768     -0.00000
     12       4.1138     -0.00000
     13       5.9674     -0.00000
     14       6.0006     -0.00000
     15       6.0524     -0.00000
     16       8.0112     -0.00000
 Fermi energy:         3.1527485398

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8852      1.00000
      2      -9.9876      1.00000
      3      -8.6219      1.00000
      4      -6.7614      1.00000
      5      -4.3406      1.00000
      6      -1.5942      1.00000
      7       1.6065      1.00000
      8       4.6220     -0.00000
      9       5.4112     -0.00000
     10       7.9266     -0.00000
     11       7.9850     -0.00000
     12      11.8905      0.00000
     13      12.1806      0.00000
     14      16.0693      0.00000
     15      16.0721      0.00000
     16      16.1269      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7785      1.00000
      3      -8.4117      1.00000
      4      -6.5495      1.00000
      5      -4.1246      1.00000
      6      -1.3840      1.00000
      7       1.8201      1.00000
      8       4.8049     -0.00000
      9       5.5855     -0.00000
     10       8.0946     -0.00000
     11       8.1501     -0.00000
     12      12.0194      0.00000
     13      12.2773      0.00000
     14      13.1259      0.00000
     15      13.8549      0.00000
     16      14.3295      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7785      1.00000
      3      -8.4117      1.00000
      4      -6.5495      1.00000
      5      -4.1246      1.00000
      6      -1.3840      1.00000
      7       1.8201      1.00000
      8       4.8049     -0.00000
      9       5.5855     -0.00000
     10       8.0946     -0.00000
     11       8.1501     -0.00000
     12      12.0194      0.00000
     13      12.2773      0.00000
     14      13.1259      0.00000
     15      13.8549      0.00000
     16      14.3294      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6767      1.00000
      2      -9.7785      1.00000
      3      -8.4117      1.00000
      4      -6.5495      1.00000
      5      -4.1246      1.00000
      6      -1.3840      1.00000
      7       1.8201      1.00000
      8       4.8049     -0.00000
      9       5.5855     -0.00000
     10       8.0946     -0.00000
     11       8.1501     -0.00000
     12      12.0194      0.00000
     13      12.2773      0.00000
     14      13.1259      0.00000
     15      13.8549      0.00000
     16      14.3296      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0511      1.00000
      2      -9.1510      1.00000
      3      -7.7810      1.00000
      4      -5.9138      1.00000
      5      -3.4776      1.00000
      6      -0.7546      1.00000
      7       2.4470      1.00000
      8       5.3367     -0.00000
      9       6.1035     -0.00000
     10       8.4791     -0.00000
     11       8.6246      0.00000
     12       9.7336      0.00000
     13      10.2750      0.00000
     14      11.3745      0.00000
     15      12.5023      0.00000
     16      12.7989      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0511      1.00000
      2      -9.1510      1.00000
      3      -7.7810      1.00000
      4      -5.9138      1.00000
      5      -3.4776      1.00000
      6      -0.7546      1.00000
      7       2.4470      1.00000
      8       5.3367     -0.00000
      9       6.1035     -0.00000
     10       8.4791     -0.00000
     11       8.6246      0.00000
     12       9.7336      0.00000
     13      10.2750      0.00000
     14      11.3745      0.00000
     15      12.5011      0.00000
     16      12.7670      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0511      1.00000
      2      -9.1510      1.00000
      3      -7.7810      1.00000
      4      -5.9138      1.00000
      5      -3.4776      1.00000
      6      -0.7546      1.00000
      7       2.4470      1.00000
      8       5.3367     -0.00000
      9       6.1035     -0.00000
     10       8.4791     -0.00000
     11       8.6246      0.00000
     12       9.7336      0.00000
     13      10.2750      0.00000
     14      11.3745      0.00000
     15      12.5015      0.00000
     16      12.7827      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0078      1.00000
      2      -8.1042      1.00000
      3      -6.7286      1.00000
      4      -4.8543      1.00000
      5      -2.4055      1.00000
      6       0.2836      1.00000
      7       3.4065     -0.03517
      8       5.6469     -0.00000
      9       6.5419     -0.00000
     10       6.8666     -0.00000
     11       7.0505     -0.00000
     12       8.0631     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5864      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0078      1.00000
      2      -8.1042      1.00000
      3      -6.7286      1.00000
      4      -4.8543      1.00000
      5      -2.4055      1.00000
      6       0.2836      1.00000
      7       3.4065     -0.03517
      8       5.6469     -0.00000
      9       6.5419     -0.00000
     10       6.8666     -0.00000
     11       7.0505     -0.00000
     12       8.0631     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5926      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0078      1.00000
      2      -8.1042      1.00000
      3      -6.7286      1.00000
      4      -4.8543      1.00000
      5      -2.4055      1.00000
      6       0.2836      1.00000
      7       3.4065     -0.03517
      8       5.6469     -0.00000
      9       6.5419     -0.00000
     10       6.8666     -0.00000
     11       7.0505     -0.00000
     12       8.0631     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5884      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5448      1.00000
      2      -6.6356      1.00000
      3      -5.2531      1.00000
      4      -3.3748      1.00000
      5      -0.9390      1.00000
      6       1.5754      1.00000
      7       2.5531      1.00009
      8       3.5265     -0.01193
      9       4.7988     -0.00000
     10       5.1242     -0.00000
     11       6.5235     -0.00000
     12       7.6456     -0.00000
     13       8.2125     -0.00000
     14       8.7073      0.00000
     15      10.5136      0.00000
     16      10.8213      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5448      1.00000
      2      -6.6356      1.00000
      3      -5.2531      1.00000
      4      -3.3748      1.00000
      5      -0.9390      1.00000
      6       1.5754      1.00000
      7       2.5531      1.00009
      8       3.5265     -0.01193
      9       4.7988     -0.00000
     10       5.1242     -0.00000
     11       6.5235     -0.00000
     12       7.6456     -0.00000
     13       8.2125     -0.00000
     14       8.7073      0.00000
     15      10.5138      0.00000
     16      10.8231      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5448      1.00000
      2      -6.6356      1.00000
      3      -5.2531      1.00000
      4      -3.3748      1.00000
      5      -0.9390      1.00000
      6       1.5754      1.00000
      7       2.5531      1.00009
      8       3.5265     -0.01193
      9       4.7988     -0.00000
     10       5.1242     -0.00000
     11       6.5235     -0.00000
     12       7.6456     -0.00000
     13       8.2125     -0.00000
     14       8.7073      0.00000
     15      10.5138      0.00000
     16      10.8224      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6581      1.00000
      2      -4.7428      1.00000
      3      -3.3593      1.00000
      4      -1.5213      1.00000
      5      -0.6603      1.00000
      6       0.1179      1.00000
      7       1.1122      1.00000
      8       2.0149      1.00000
      9       3.6474     -0.00130
     10       3.7417     -0.00013
     11       5.9296     -0.00000
     12       6.6999     -0.00000
     13       8.2322     -0.00000
     14       9.1911      0.00000
     15       9.7524      0.00000
     16      10.4104      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6581      1.00000
      2      -4.7428      1.00000
      3      -3.3593      1.00000
      4      -1.5213      1.00000
      5      -0.6603      1.00000
      6       0.1179      1.00000
      7       1.1122      1.00000
      8       2.0149      1.00000
      9       3.6474     -0.00130
     10       3.7417     -0.00013
     11       5.9296     -0.00000
     12       6.6999     -0.00000
     13       8.2322     -0.00000
     14       9.1911      0.00000
     15       9.7524      0.00000
     16      10.4136      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6581      1.00000
      2      -4.7428      1.00000
      3      -3.3593      1.00000
      4      -1.5213      1.00000
      5      -0.6603      1.00000
      6       0.1179      1.00000
      7       1.1122      1.00000
      8       2.0149      1.00000
      9       3.6474     -0.00130
     10       3.7417     -0.00013
     11       5.9296     -0.00000
     12       6.6999     -0.00000
     13       8.2322     -0.00000
     14       9.1911      0.00000
     15       9.7524      0.00000
     16      10.4148      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3593      1.00000
      2      -3.3375      1.00000
      3      -2.4462      1.00000
      4      -2.4320      1.00000
      5      -1.2960      1.00000
      6      -0.9028      1.00000
      7       0.6398      1.00000
      8       1.3814      1.00000
      9       3.3819     -0.03438
     10       3.5200     -0.01312
     11       5.6739     -0.00000
     12       6.0147     -0.00000
     13       8.3987     -0.00000
     14       8.8561      0.00000
     15      10.2404      0.00000
     16      10.5360      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3593      1.00000
      2      -3.3375      1.00000
      3      -2.4462      1.00000
      4      -2.4320      1.00000
      5      -1.2960      1.00000
      6      -0.9028      1.00000
      7       0.6398      1.00000
      8       1.3814      1.00000
      9       3.3819     -0.03438
     10       3.5200     -0.01312
     11       5.6739     -0.00000
     12       6.0147     -0.00000
     13       8.3987     -0.00000
     14       8.8561      0.00000
     15      10.2404      0.00000
     16      10.5360      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3593      1.00000
      2      -3.3375      1.00000
      3      -2.4462      1.00000
      4      -2.4320      1.00000
      5      -1.2960      1.00000
      6      -0.9028      1.00000
      7       0.6398      1.00000
      8       1.3814      1.00000
      9       3.3819     -0.03438
     10       3.5200     -0.01312
     11       5.6739     -0.00000
     12       6.0147     -0.00000
     13       8.3987     -0.00000
     14       8.8561      0.00000
     15      10.2404      0.00000
     16      10.5359      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2597      1.00000
      2      -9.3602      1.00000
      3      -7.9913      1.00000
      4      -6.1257      1.00000
      5      -3.6931      1.00000
      6      -0.9641      1.00000
      7       2.2408      1.00000
      8       5.1640     -0.00000
      9       5.9323     -0.00000
     10       8.4195     -0.00000
     11       8.4586     -0.00000
     12      11.4350      0.00000
     13      11.4497      0.00000
     14      11.8865      0.00000
     15      12.0150      0.00000
     16      12.6310      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2597      1.00000
      2      -9.3602      1.00000
      3      -7.9913      1.00000
      4      -6.1257      1.00000
      5      -3.6931      1.00000
      6      -0.9641      1.00000
      7       2.2408      1.00000
      8       5.1640     -0.00000
      9       5.9323     -0.00000
     10       8.4195     -0.00000
     11       8.4586     -0.00000
     12      11.4350      0.00000
     13      11.4497      0.00000
     14      11.8865      0.00000
     15      12.0151      0.00000
     16      12.6275      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2597      1.00000
      2      -9.3602      1.00000
      3      -7.9913      1.00000
      4      -6.1257      1.00000
      5      -3.6931      1.00000
      6      -0.9641      1.00000
      7       2.2408      1.00000
      8       5.1640     -0.00000
      9       5.9323     -0.00000
     10       8.4195     -0.00000
     11       8.4586     -0.00000
     12      11.4350      0.00000
     13      11.4497      0.00000
     14      11.8865      0.00000
     15      12.0154      0.00000
     16      12.6756      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4253      1.00000
      2      -8.5231      1.00000
      3      -7.1498      1.00000
      4      -5.2780      1.00000
      5      -2.8331      1.00000
      6      -0.1286      1.00000
      7       3.0474      0.88415
      8       5.8166     -0.00000
      9       6.6010     -0.00000
     10       7.8647     -0.00000
     11       8.5871     -0.00000
     12       9.0025      0.00000
     13       9.4202      0.00000
     14       9.8331      0.00000
     15      10.1855      0.00000
     16      10.7204      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0306      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0383      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0325      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0327      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5978      0.00000
     16      10.2456      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1724      1.00000
      2      -7.2656      1.00000
      3      -5.8858      1.00000
      4      -4.0076      1.00000
      5      -1.5578      1.00000
      6       1.0900      1.00000
      7       3.8106     -0.00002
      8       4.6815     -0.00000
      9       5.4036     -0.00000
     10       6.5078     -0.00000
     11       7.0822     -0.00000
     12       7.6966     -0.00000
     13       8.1803     -0.00000
     14       8.9034      0.00000
     15       9.5977      0.00000
     16      10.0409      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5848      1.00000
      3      -4.1995      1.00000
      4      -2.3280      1.00000
      5       0.0130      1.00000
      6       1.0071      1.00000
      7       1.9789      1.00000
      8       2.9851      0.99938
      9       3.5211     -0.01280
     10       5.1946     -0.00000
     11       5.8956     -0.00000
     12       7.3240     -0.00000
     13       7.9817     -0.00000
     14       8.6495      0.00000
     15       9.1007      0.00000
     16       9.1245      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6917      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6921      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6921      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6918      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6917      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3985      1.00000
      2      -3.4829      1.00000
      3      -2.1159      1.00000
      4      -1.8865      1.00000
      5      -1.0393      1.00000
      6      -0.3602      1.00000
      7       0.6418      1.00000
      8       2.2881      1.00000
      9       2.6616      1.00141
     10       4.7298     -0.00000
     11       4.9033     -0.00000
     12       7.0257     -0.00000
     13       7.4875     -0.00000
     14       8.0156     -0.00000
     15       8.8377      0.00000
     16       9.6930      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3815      1.00000
      2      -7.4755      1.00000
      3      -6.0967      1.00000
      4      -4.2190      1.00000
      5      -1.7676      1.00000
      6       0.8981      1.00000
      7       3.9480     -0.00000
      8       6.0204     -0.00000
      9       6.4997     -0.00000
     10       7.2306     -0.00000
     11       7.3173     -0.00000
     12       7.4885     -0.00000
     13       7.6007     -0.00000
     14       8.3747     -0.00000
     15       8.7411      0.00000
     16      10.0510      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3815      1.00000
      2      -7.4755      1.00000
      3      -6.0967      1.00000
      4      -4.2190      1.00000
      5      -1.7676      1.00000
      6       0.8981      1.00000
      7       3.9480     -0.00000
      8       6.0204     -0.00000
      9       6.4997     -0.00000
     10       7.2306     -0.00000
     11       7.3173     -0.00000
     12       7.4885     -0.00000
     13       7.6007     -0.00000
     14       8.3747     -0.00000
     15       8.7411      0.00000
     16      10.0467      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3815      1.00000
      2      -7.4755      1.00000
      3      -6.0967      1.00000
      4      -4.2190      1.00000
      5      -1.7676      1.00000
      6       0.8981      1.00000
      7       3.9480     -0.00000
      8       6.0204     -0.00000
      9       6.4997     -0.00000
     10       7.2306     -0.00000
     11       7.3173     -0.00000
     12       7.4885     -0.00000
     13       7.6007     -0.00000
     14       8.3747     -0.00000
     15       8.7411      0.00000
     16      10.0551      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54804
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54803
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9176      1.00000
      2      -6.0060      1.00000
      3      -4.6211      1.00000
      4      -2.7429      1.00000
      5      -0.3186      1.00000
      6       2.1606      1.00000
      7       3.1420      0.54804
      8       4.1014     -0.00000
      9       5.0895     -0.00000
     10       5.3563     -0.00000
     11       5.9057     -0.00000
     12       6.4788     -0.00000
     13       7.0130     -0.00000
     14       7.7596     -0.00000
     15       8.4102     -0.00000
     16       8.7561      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8398      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8289      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8379      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8427      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8496      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0301      1.00000
      2      -4.1138      1.00000
      3      -2.7309      1.00000
      4      -0.9032      1.00000
      5      -0.0437      1.00000
      6       0.7199      1.00000
      7       1.7031      1.00000
      8       2.5869      1.00024
      9       4.0709     -0.00000
     10       4.2691     -0.00000
     11       4.8732     -0.00000
     12       5.7283     -0.00000
     13       6.6221     -0.00000
     14       7.3942     -0.00000
     15       7.5152     -0.00000
     16       8.8624      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7334      1.00000
      2      -2.7115      1.00000
      3      -1.8201      1.00000
      4      -1.8123      1.00000
      5      -0.6818      1.00000
      6      -0.2896      1.00000
      7       1.2404      1.00000
      8       1.9733      1.00000
      9       3.7718     -0.00005
     10       3.9005     -0.00000
     11       4.7221     -0.00000
     12       5.7553     -0.00000
     13       6.3930     -0.00000
     14       6.7511     -0.00000
     15       7.1237     -0.00000
     16       8.6759      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7334      1.00000
      2      -2.7115      1.00000
      3      -1.8201      1.00000
      4      -1.8123      1.00000
      5      -0.6818      1.00000
      6      -0.2896      1.00000
      7       1.2404      1.00000
      8       1.9733      1.00000
      9       3.7717     -0.00005
     10       3.9005     -0.00000
     11       4.7221     -0.00000
     12       5.7553     -0.00000
     13       6.3930     -0.00000
     14       6.7511     -0.00000
     15       7.1237     -0.00000
     16       8.6758      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7334      1.00000
      2      -2.7115      1.00000
      3      -1.8201      1.00000
      4      -1.8123      1.00000
      5      -0.6818      1.00000
      6      -0.2896      1.00000
      7       1.2404      1.00000
      8       1.9733      1.00000
      9       3.7718     -0.00005
     10       3.9005     -0.00000
     11       4.7221     -0.00000
     12       5.7553     -0.00000
     13       6.3930     -0.00000
     14       6.7511     -0.00000
     15       7.1237     -0.00000
     16       8.6771      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2408      1.00000
      2      -4.3246      1.00000
      3      -2.9390      1.00000
      4      -1.0851      1.00000
      5       1.1478      1.00000
      6       2.1064      1.00000
      7       2.2694      1.00000
      8       2.9887      0.99487
      9       3.4420     -0.03002
     10       4.2261     -0.00000
     11       4.4852     -0.00000
     12       4.8529     -0.00000
     13       6.2103     -0.00000
     14       6.8502     -0.00000
     15       7.2431     -0.00000
     16       8.6817      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2408      1.00000
      2      -4.3246      1.00000
      3      -2.9390      1.00000
      4      -1.0851      1.00000
      5       1.1478      1.00000
      6       2.1064      1.00000
      7       2.2694      1.00000
      8       2.9887      0.99487
      9       3.4420     -0.03002
     10       4.2262     -0.00000
     11       4.4852     -0.00000
     12       4.8529     -0.00000
     13       6.2103     -0.00000
     14       6.8502     -0.00000
     15       7.2431     -0.00000
     16       8.6804      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2408      1.00000
      2      -4.3246      1.00000
      3      -2.9390      1.00000
      4      -1.0851      1.00000
      5       1.1478      1.00000
      6       2.1064      1.00000
      7       2.2694      1.00000
      8       2.9887      0.99487
      9       3.4420     -0.03002
     10       4.2262     -0.00000
     11       4.4852     -0.00000
     12       4.8529     -0.00000
     13       6.2103     -0.00000
     14       6.8502     -0.00000
     15       7.2431     -0.00000
     16       8.6812      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7616      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2238     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7616      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2249     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38283
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2246     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38283
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2277     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7617      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2246     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1422      1.00000
      2      -2.2302      1.00000
      3      -0.8783      1.00000
      4      -0.6412      1.00000
      5       0.1842      1.00000
      6       0.8212      1.00000
      7       1.7616      1.00000
      8       1.8326      1.00000
      9       2.5559      1.00010
     10       3.1804      0.38284
     11       4.1300     -0.00000
     12       4.6571     -0.00000
     13       6.0462     -0.00000
     14       6.1506     -0.00000
     15       6.3647     -0.00000
     16       8.2263     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8696      1.00000
      2      -0.8540      1.00000
      3      -0.8280      1.00000
      4      -0.0189      1.00000
      5       0.0505      1.00000
      6       0.0647      1.00000
      7       1.0918      1.00000
      8       1.0931      1.00000
      9       1.7924      1.00000
     10       2.6822      1.00218
     11       4.0768     -0.00000
     12       4.1138     -0.00000
     13       5.9674     -0.00000
     14       6.0006     -0.00000
     15       6.0524     -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
  8.065  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   1.881  -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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469  -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  23.496   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   1.881   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  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.469   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
115.768 -61.835  -0.000  -0.079   0.000   0.000  -0.023  -0.000
-61.835  33.028   0.000   0.033  -0.000  -0.000   0.014   0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.079   0.033   0.000   1.745   0.000  -0.000  -0.267  -0.000
  0.000  -0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -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      0.0019
    FORHF :  cpu time    422.5339: real time    425.4887
    FORNL :  cpu time      0.5036: real time      0.5089
    FORCOR:  cpu time      1.9661: real time      1.9767
    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
 -----------------------------------------------------------------------------------------------
   0.135E-05 -.505E-05 0.183E+03   0.441E-13 0.278E-13 -.182E+03   -.127E-05 0.568E-05 -.126E+01
   -.106E-05 0.232E-05 0.911E+02   -.409E-15 0.551E-15 -.911E+02   0.931E-06 -.228E-05 0.146E+00
   -.123E-05 0.134E-05 -.704E+00   -.142E-12 -.734E-13 0.690E+00   0.117E-05 -.116E-05 0.181E-01
   -.106E-05 0.188E-05 -.923E+02   0.133E-12 0.731E-13 0.922E+02   0.574E-06 -.201E-05 0.111E+00
   -.332E-06 -.762E-05 -.181E+03   -.441E-13 -.249E-13 0.180E+03   0.832E-06 0.838E-05 0.100E+01
 -----------------------------------------------------------------------------------------------
   -.662E-06 -.656E-05 -.195E-01   -.971E-14 0.313E-14 -.284E-13   0.224E-05 0.862E-05 0.187E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.123554
      0.00000      0.00000      2.33311        -0.000000     -0.000000      0.105735
      1.42873      0.82488      4.65819        -0.000001     -0.000000      0.004122
      2.85746      1.64976      6.98559        -0.000000     -0.000000      0.007355
      0.00000      0.00000      9.37248         0.000001      0.000001      0.006343
 -----------------------------------------------------------------------------------
    total drift:                                0.000002      0.000002      0.000101


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90225423 eV

  energy  without entropy=      -13.89725699  energy(sigma->0) =      -13.90058848
 
 d Force = 0.4937052E-06[ 0.850E-06, 0.137E-06]  d Energy =-0.2007044E-05 0.250E-05
 d Force = 0.3230868E-02[ 0.323E-02, 0.323E-02]  d Ewald  = 0.3230868E-02-0.267E-11


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


    POTLOK:  cpu time      1.9674: real time      1.9781


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.537E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.2833
 eigenvalue spectrum of G is  0.2833


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


    WAVPRE:  cpu time      0.0060: real time      0.0747
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0844
    POTLOK:  cpu time      1.9668: real time      1.9777
    EDDIAG:  cpu time    589.9105: real time    594.6345
    CHARGE:  cpu time      0.2642: real time      0.2662
 writing wavefunctions
     LOOP+:  cpu time   8115.6601: real time   8182.8840


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


    POTLOK:  cpu time      0.7267: real time      0.7322
    SETDIJ:  cpu time      1.2443: real time      1.2495
    TRIAL :  cpu time    587.9050: real time    592.7349
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    590.1558: real time    594.9992

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6560193E-05  (-0.1602116E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009410 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.54763045
  -Hartree energ DENC   =      -698.41644740
  -exchange      EXHF   =        33.25426562
  -V(xc)+E(xc)   XCENC  =       -83.55215220
  PAW double counting   =    100969.52726390  -100868.56811277
  entropy T*S    EENTRO =        -0.00497937
  eigenvalues    EBANDS =       -35.27111065
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225877 eV

  energy without entropy =      -13.89727941  energy(sigma->0) =      -13.90059898
  exchange ACFDT corr.  =        -0.00485124  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     25(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7302
    SETDIJ:  cpu time      1.2444: real time      1.2496
    TRIAL :  cpu time    592.5597: real time    597.3792
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    591.1532: real time    595.8879
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time   1185.9527: real time   1195.5195

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1217661E-05  (-0.1567050E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009412 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       400.54763045
  -Hartree energ DENC   =      -698.41167737
  -exchange      EXHF   =        33.25414428
  -V(xc)+E(xc)   XCENC  =       -83.55217196
  PAW double counting   =    100969.37872682  -100868.41957630
  entropy T*S    EENTRO =        -0.00497856
  eigenvalues    EBANDS =       -35.27580201
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225999 eV

  energy without entropy =      -13.89728144  energy(sigma->0) =      -13.90060047
  exchange ACFDT corr.  =        -0.00485054  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1717


 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 -69.7762       3 -69.7843       4 -69.7888       5 -69.9082
 
 
 
 E-fermi :   3.1529     XC(G=0):  -5.1215     alpha+bet : -8.9779

 Fermi energy:         3.1529276079

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8856      1.00000
      2      -9.9870      1.00000
      3      -8.6211      1.00000
      4      -6.7610      1.00000
      5      -4.3410      1.00000
      6      -1.5942      1.00000
      7       1.6062      1.00000
      8       4.6218     -0.00000
      9       5.4109     -0.00000
     10       7.9264     -0.00000
     11       7.9849     -0.00000
     12      11.8904      0.00000
     13      12.1804      0.00000
     14      16.0694      0.00000
     15      16.0716      0.00000
     16      16.0764      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6771      1.00000
      2      -9.7779      1.00000
      3      -8.4110      1.00000
      4      -6.5491      1.00000
      5      -4.1249      1.00000
      6      -1.3841      1.00000
      7       1.8198      1.00000
      8       4.8046     -0.00000
      9       5.5852     -0.00000
     10       8.0944     -0.00000
     11       8.1499     -0.00000
     12      12.0193      0.00000
     13      12.2771      0.00000
     14      13.1254      0.00000
     15      13.8554      0.00000
     16      14.3291      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6771      1.00000
      2      -9.7779      1.00000
      3      -8.4110      1.00000
      4      -6.5491      1.00000
      5      -4.1249      1.00000
      6      -1.3841      1.00000
      7       1.8198      1.00000
      8       4.8046     -0.00000
      9       5.5852     -0.00000
     10       8.0944     -0.00000
     11       8.1499     -0.00000
     12      12.0193      0.00000
     13      12.2771      0.00000
     14      13.1254      0.00000
     15      13.8554      0.00000
     16      14.3307      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6771      1.00000
      2      -9.7779      1.00000
      3      -8.4110      1.00000
      4      -6.5491      1.00000
      5      -4.1249      1.00000
      6      -1.3841      1.00000
      7       1.8198      1.00000
      8       4.8046     -0.00000
      9       5.5852     -0.00000
     10       8.0944     -0.00000
     11       8.1499     -0.00000
     12      12.0193      0.00000
     13      12.2771      0.00000
     14      13.1254      0.00000
     15      13.8554      0.00000
     16      14.3290      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1504      1.00000
      3      -7.7802      1.00000
      4      -5.9134      1.00000
      5      -3.4780      1.00000
      6      -0.7547      1.00000
      7       2.4467      1.00000
      8       5.3365     -0.00000
      9       6.1032     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7330      0.00000
     13      10.2756      0.00000
     14      11.3754      0.00000
     15      12.5010      0.00000
     16      12.7667      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1504      1.00000
      3      -7.7802      1.00000
      4      -5.9134      1.00000
      5      -3.4780      1.00000
      6      -0.7547      1.00000
      7       2.4467      1.00000
      8       5.3365     -0.00000
      9       6.1032     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7330      0.00000
     13      10.2756      0.00000
     14      11.3754      0.00000
     15      12.5013      0.00000
     16      12.7766      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1504      1.00000
      3      -7.7802      1.00000
      4      -5.9134      1.00000
      5      -3.4780      1.00000
      6      -0.7547      1.00000
      7       2.4467      1.00000
      8       5.3365     -0.00000
      9       6.1032     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7330      0.00000
     13      10.2756      0.00000
     14      11.3754      0.00000
     15      12.5017      0.00000
     16      12.8060      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1036      1.00000
      3      -6.7278      1.00000
      4      -4.8539      1.00000
      5      -2.4058      1.00000
      6       0.2835      1.00000
      7       3.4062     -0.03520
      8       5.6466     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0503     -0.00000
     12       8.0639     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5856      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1036      1.00000
      3      -6.7278      1.00000
      4      -4.8539      1.00000
      5      -2.4058      1.00000
      6       0.2835      1.00000
      7       3.4062     -0.03520
      8       5.6466     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0503     -0.00000
     12       8.0639     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5873      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1036      1.00000
      3      -6.7278      1.00000
      4      -4.8539      1.00000
      5      -2.4058      1.00000
      6       0.2835      1.00000
      7       3.4062     -0.03520
      8       5.6466     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0503     -0.00000
     12       8.0639     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5937      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6350      1.00000
      3      -5.2523      1.00000
      4      -3.3744      1.00000
      5      -0.9393      1.00000
      6       1.5753      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01192
      9       4.7996     -0.00000
     10       5.1241     -0.00000
     11       6.5240     -0.00000
     12       7.6454     -0.00000
     13       8.2122     -0.00000
     14       8.7070      0.00000
     15      10.5135      0.00000
     16      10.8205      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6350      1.00000
      3      -5.2523      1.00000
      4      -3.3744      1.00000
      5      -0.9393      1.00000
      6       1.5753      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01192
      9       4.7996     -0.00000
     10       5.1241     -0.00000
     11       6.5240     -0.00000
     12       7.6454     -0.00000
     13       8.2122     -0.00000
     14       8.7070      0.00000
     15      10.5135      0.00000
     16      10.8198      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6350      1.00000
      3      -5.2523      1.00000
      4      -3.3744      1.00000
      5      -0.9393      1.00000
      6       1.5753      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01192
      9       4.7996     -0.00000
     10       5.1241     -0.00000
     11       6.5240     -0.00000
     12       7.6454     -0.00000
     13       8.2122     -0.00000
     14       8.7070      0.00000
     15      10.5135      0.00000
     16      10.8209      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7422      1.00000
      3      -3.3585      1.00000
      4      -1.5208      1.00000
      5      -0.6607      1.00000
      6       0.1184      1.00000
      7       1.1124      1.00000
      8       2.0153      1.00000
      9       3.6480     -0.00130
     10       3.7416     -0.00013
     11       5.9293     -0.00000
     12       6.6997     -0.00000
     13       8.2321     -0.00000
     14       9.1908      0.00000
     15       9.7521      0.00000
     16      10.4410      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7422      1.00000
      3      -3.3585      1.00000
      4      -1.5208      1.00000
      5      -0.6607      1.00000
      6       0.1184      1.00000
      7       1.1124      1.00000
      8       2.0153      1.00000
      9       3.6480     -0.00130
     10       3.7416     -0.00013
     11       5.9293     -0.00000
     12       6.6997     -0.00000
     13       8.2321     -0.00000
     14       9.1908      0.00000
     15       9.7521      0.00000
     16      10.4075      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7422      1.00000
      3      -3.3585      1.00000
      4      -1.5208      1.00000
      5      -0.6607      1.00000
      6       0.1184      1.00000
      7       1.1124      1.00000
      8       2.0153      1.00000
      9       3.6480     -0.00130
     10       3.7416     -0.00013
     11       5.9293     -0.00000
     12       6.6997     -0.00000
     13       8.2321     -0.00000
     14       9.1908      0.00000
     15       9.7521      0.00000
     16      10.4093      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3599      1.00000
      2      -3.3377      1.00000
      3      -2.4457      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9021      1.00000
      7       0.6404      1.00000
      8       1.3817      1.00000
      9       3.3817     -0.03434
     10       3.5196     -0.01316
     11       5.6740     -0.00000
     12       6.0146     -0.00000
     13       8.3985     -0.00000
     14       8.8560      0.00000
     15      10.2398      0.00000
     16      10.5356      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3599      1.00000
      2      -3.3377      1.00000
      3      -2.4457      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9021      1.00000
      7       0.6404      1.00000
      8       1.3817      1.00000
      9       3.3817     -0.03434
     10       3.5196     -0.01316
     11       5.6740     -0.00000
     12       6.0146     -0.00000
     13       8.3985     -0.00000
     14       8.8560      0.00000
     15      10.2398      0.00000
     16      10.5357      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3599      1.00000
      2      -3.3377      1.00000
      3      -2.4457      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9021      1.00000
      7       0.6404      1.00000
      8       1.3817      1.00000
      9       3.3817     -0.03434
     10       3.5196     -0.01316
     11       5.6740     -0.00000
     12       6.0146     -0.00000
     13       8.3985     -0.00000
     14       8.8560      0.00000
     15      10.2398      0.00000
     16      10.5356      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2601      1.00000
      2      -9.3596      1.00000
      3      -7.9905      1.00000
      4      -6.1253      1.00000
      5      -3.6934      1.00000
      6      -0.9642      1.00000
      7       2.2405      1.00000
      8       5.1637     -0.00000
      9       5.9320     -0.00000
     10       8.4193     -0.00000
     11       8.4585     -0.00000
     12      11.4338      0.00000
     13      11.4495      0.00000
     14      11.8875      0.00000
     15      12.0152      0.00000
     16      12.6351      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2601      1.00000
      2      -9.3596      1.00000
      3      -7.9905      1.00000
      4      -6.1253      1.00000
      5      -3.6934      1.00000
      6      -0.9642      1.00000
      7       2.2405      1.00000
      8       5.1637     -0.00000
      9       5.9320     -0.00000
     10       8.4193     -0.00000
     11       8.4585     -0.00000
     12      11.4338      0.00000
     13      11.4495      0.00000
     14      11.8875      0.00000
     15      12.0152      0.00000
     16      12.6299      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2601      1.00000
      2      -9.3596      1.00000
      3      -7.9905      1.00000
      4      -6.1253      1.00000
      5      -3.6934      1.00000
      6      -0.9642      1.00000
      7       2.2405      1.00000
      8       5.1637     -0.00000
      9       5.9320     -0.00000
     10       8.4193     -0.00000
     11       8.4585     -0.00000
     12      11.4338      0.00000
     13      11.4495      0.00000
     14      11.8875      0.00000
     15      12.0152      0.00000
     16      12.6361      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0366      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0294      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.1287      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.1140      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0305      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.0398      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6924      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6937      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6923      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6921      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6921      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6924      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4749      1.00000
      3      -6.0959      1.00000
      4      -4.2186      1.00000
      5      -1.7679      1.00000
      6       0.8981      1.00000
      7       3.9478     -0.00000
      8       6.0200     -0.00000
      9       6.4994     -0.00000
     10       7.2308     -0.00000
     11       7.3176     -0.00000
     12       7.4885     -0.00000
     13       7.6006     -0.00000
     14       8.3759     -0.00000
     15       8.7417      0.00000
     16      10.0474      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4749      1.00000
      3      -6.0959      1.00000
      4      -4.2186      1.00000
      5      -1.7679      1.00000
      6       0.8981      1.00000
      7       3.9478     -0.00000
      8       6.0200     -0.00000
      9       6.4994     -0.00000
     10       7.2308     -0.00000
     11       7.3176     -0.00000
     12       7.4885     -0.00000
     13       7.6006     -0.00000
     14       8.3759     -0.00000
     15       8.7417      0.00000
     16      10.0560      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4749      1.00000
      3      -6.0959      1.00000
      4      -4.2186      1.00000
      5      -1.7679      1.00000
      6       0.8981      1.00000
      7       3.9478     -0.00000
      8       6.0200     -0.00000
      9       6.4994     -0.00000
     10       7.2308     -0.00000
     11       7.3176     -0.00000
     12       7.4885     -0.00000
     13       7.6006     -0.00000
     14       8.3759     -0.00000
     15       8.7417      0.00000
     16      10.0536      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7559      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8361      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8382      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8379      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8559      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8712      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8712      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7341      1.00000
      2      -2.7117      1.00000
      3      -1.8196      1.00000
      4      -1.8116      1.00000
      5      -0.6808      1.00000
      6      -0.2889      1.00000
      7       1.2409      1.00000
      8       1.9736      1.00000
      9       3.7714     -0.00006
     10       3.9002     -0.00000
     11       4.7221     -0.00000
     12       5.7557     -0.00000
     13       6.3929     -0.00000
     14       6.7509     -0.00000
     15       7.1245     -0.00000
     16       8.6822      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7341      1.00000
      2      -2.7117      1.00000
      3      -1.8196      1.00000
      4      -1.8116      1.00000
      5      -0.6808      1.00000
      6      -0.2889      1.00000
      7       1.2409      1.00000
      8       1.9736      1.00000
      9       3.7714     -0.00006
     10       3.9002     -0.00000
     11       4.7221     -0.00000
     12       5.7557     -0.00000
     13       6.3929     -0.00000
     14       6.7509     -0.00000
     15       7.1245     -0.00000
     16       8.6794      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7341      1.00000
      2      -2.7117      1.00000
      3      -1.8196      1.00000
      4      -1.8116      1.00000
      5      -0.6808      1.00000
      6      -0.2889      1.00000
      7       1.2409      1.00000
      8       1.9736      1.00000
      9       3.7714     -0.00006
     10       3.9002     -0.00000
     11       4.7221     -0.00000
     12       5.7557     -0.00000
     13       6.3929     -0.00000
     14       6.7509     -0.00000
     15       7.1245     -0.00000
     16       8.6790      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3240      1.00000
      3      -2.9382      1.00000
      4      -1.0847      1.00000
      5       1.1475      1.00000
      6       2.1058      1.00000
      7       2.2696      1.00000
      8       2.9893      0.99470
      9       3.4421     -0.03002
     10       4.2271     -0.00000
     11       4.4854     -0.00000
     12       4.8536     -0.00000
     13       6.2108     -0.00000
     14       6.8505     -0.00000
     15       7.2430     -0.00000
     16       8.6800      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3240      1.00000
      3      -2.9382      1.00000
      4      -1.0847      1.00000
      5       1.1475      1.00000
      6       2.1058      1.00000
      7       2.2696      1.00000
      8       2.9893      0.99470
      9       3.4421     -0.03002
     10       4.2271     -0.00000
     11       4.4854     -0.00000
     12       4.8536     -0.00000
     13       6.2108     -0.00000
     14       6.8505     -0.00000
     15       7.2430     -0.00000
     16       8.6830      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3240      1.00000
      3      -2.9382      1.00000
      4      -1.0847      1.00000
      5       1.1475      1.00000
      6       2.1058      1.00000
      7       2.2696      1.00000
      8       2.9893      0.99470
      9       3.4421     -0.03002
     10       4.2271     -0.00000
     11       4.4854     -0.00000
     12       4.8536     -0.00000
     13       6.2108     -0.00000
     14       6.8505     -0.00000
     15       7.2430     -0.00000
     16       8.6843      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2228     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38293
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2254     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2244     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2239     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38293
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2240     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38293
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.3282     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8712      1.00000
      2      -0.8533      1.00000
      3      -0.8283      1.00000
      4      -0.0181      1.00000
      5       0.0489      1.00000
      6       0.0669      1.00000
      7       1.0912      1.00000
      8       1.0959      1.00000
      9       1.7931      1.00000
     10       2.6826      1.00218
     11       4.0826     -0.00000
     12       4.1089     -0.00000
     13       5.9681     -0.00000
     14       5.9994     -0.00000
     15       6.0521     -0.00000
     16       8.0114     -0.00000
 Fermi energy:         3.1529276079

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8856      1.00000
      2      -9.9870      1.00000
      3      -8.6211      1.00000
      4      -6.7610      1.00000
      5      -4.3410      1.00000
      6      -1.5942      1.00000
      7       1.6062      1.00000
      8       4.6218     -0.00000
      9       5.4109     -0.00000
     10       7.9264     -0.00000
     11       7.9849     -0.00000
     12      11.8904      0.00000
     13      12.1804      0.00000
     14      16.0689      0.00000
     15      16.0722      0.00000
     16      16.1251      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6771      1.00000
      2      -9.7779      1.00000
      3      -8.4110      1.00000
      4      -6.5491      1.00000
      5      -4.1249      1.00000
      6      -1.3841      1.00000
      7       1.8198      1.00000
      8       4.8046     -0.00000
      9       5.5852     -0.00000
     10       8.0944     -0.00000
     11       8.1499     -0.00000
     12      12.0193      0.00000
     13      12.2771      0.00000
     14      13.1254      0.00000
     15      13.8554      0.00000
     16      14.3289      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6771      1.00000
      2      -9.7779      1.00000
      3      -8.4110      1.00000
      4      -6.5491      1.00000
      5      -4.1249      1.00000
      6      -1.3841      1.00000
      7       1.8198      1.00000
      8       4.8046     -0.00000
      9       5.5852     -0.00000
     10       8.0944     -0.00000
     11       8.1499     -0.00000
     12      12.0193      0.00000
     13      12.2771      0.00000
     14      13.1254      0.00000
     15      13.8554      0.00000
     16      14.3288      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6771      1.00000
      2      -9.7779      1.00000
      3      -8.4110      1.00000
      4      -6.5491      1.00000
      5      -4.1249      1.00000
      6      -1.3841      1.00000
      7       1.8198      1.00000
      8       4.8046     -0.00000
      9       5.5852     -0.00000
     10       8.0944     -0.00000
     11       8.1499     -0.00000
     12      12.0193      0.00000
     13      12.2771      0.00000
     14      13.1254      0.00000
     15      13.8554      0.00000
     16      14.3290      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1504      1.00000
      3      -7.7802      1.00000
      4      -5.9134      1.00000
      5      -3.4780      1.00000
      6      -0.7547      1.00000
      7       2.4467      1.00000
      8       5.3365     -0.00000
      9       6.1032     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7330      0.00000
     13      10.2756      0.00000
     14      11.3754      0.00000
     15      12.5022      0.00000
     16      12.7981      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1504      1.00000
      3      -7.7802      1.00000
      4      -5.9134      1.00000
      5      -3.4780      1.00000
      6      -0.7547      1.00000
      7       2.4467      1.00000
      8       5.3365     -0.00000
      9       6.1032     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7330      0.00000
     13      10.2756      0.00000
     14      11.3754      0.00000
     15      12.5010      0.00000
     16      12.7669      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0515      1.00000
      2      -9.1504      1.00000
      3      -7.7802      1.00000
      4      -5.9134      1.00000
      5      -3.4780      1.00000
      6      -0.7547      1.00000
      7       2.4467      1.00000
      8       5.3365     -0.00000
      9       6.1032     -0.00000
     10       8.4789     -0.00000
     11       8.6244      0.00000
     12       9.7330      0.00000
     13      10.2756      0.00000
     14      11.3754      0.00000
     15      12.5014      0.00000
     16      12.7822      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1036      1.00000
      3      -6.7278      1.00000
      4      -4.8539      1.00000
      5      -2.4058      1.00000
      6       0.2835      1.00000
      7       3.4062     -0.03520
      8       5.6466     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0503     -0.00000
     12       8.0639     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5861      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1036      1.00000
      3      -6.7278      1.00000
      4      -4.8539      1.00000
      5      -2.4058      1.00000
      6       0.2835      1.00000
      7       3.4062     -0.03520
      8       5.6466     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0503     -0.00000
     12       8.0639     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5922      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0082      1.00000
      2      -8.1036      1.00000
      3      -6.7278      1.00000
      4      -4.8539      1.00000
      5      -2.4058      1.00000
      6       0.2835      1.00000
      7       3.4062     -0.03520
      8       5.6466     -0.00000
      9       6.5418     -0.00000
     10       6.8670     -0.00000
     11       7.0503     -0.00000
     12       8.0639     -0.00000
     13       9.4023      0.00000
     14       9.5790      0.00000
     15       9.8032      0.00000
     16      11.5881      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6350      1.00000
      3      -5.2523      1.00000
      4      -3.3744      1.00000
      5      -0.9393      1.00000
      6       1.5753      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01192
      9       4.7996     -0.00000
     10       5.1241     -0.00000
     11       6.5240     -0.00000
     12       7.6454     -0.00000
     13       8.2122     -0.00000
     14       8.7070      0.00000
     15      10.5134      0.00000
     16      10.8211      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6350      1.00000
      3      -5.2523      1.00000
      4      -3.3744      1.00000
      5      -0.9393      1.00000
      6       1.5753      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01192
      9       4.7996     -0.00000
     10       5.1241     -0.00000
     11       6.5240     -0.00000
     12       7.6454     -0.00000
     13       8.2122     -0.00000
     14       8.7070      0.00000
     15      10.5137      0.00000
     16      10.8229      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5452      1.00000
      2      -6.6350      1.00000
      3      -5.2523      1.00000
      4      -3.3744      1.00000
      5      -0.9393      1.00000
      6       1.5753      1.00000
      7       2.5529      1.00009
      8       3.5269     -0.01192
      9       4.7996     -0.00000
     10       5.1241     -0.00000
     11       6.5240     -0.00000
     12       7.6454     -0.00000
     13       8.2122     -0.00000
     14       8.7070      0.00000
     15      10.5136      0.00000
     16      10.8221      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7422      1.00000
      3      -3.3585      1.00000
      4      -1.5208      1.00000
      5      -0.6607      1.00000
      6       0.1184      1.00000
      7       1.1124      1.00000
      8       2.0153      1.00000
      9       3.6480     -0.00130
     10       3.7416     -0.00013
     11       5.9293     -0.00000
     12       6.6997     -0.00000
     13       8.2321     -0.00000
     14       9.1908      0.00000
     15       9.7521      0.00000
     16      10.4098      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7422      1.00000
      3      -3.3585      1.00000
      4      -1.5208      1.00000
      5      -0.6607      1.00000
      6       0.1184      1.00000
      7       1.1124      1.00000
      8       2.0153      1.00000
      9       3.6480     -0.00130
     10       3.7416     -0.00013
     11       5.9293     -0.00000
     12       6.6997     -0.00000
     13       8.2321     -0.00000
     14       9.1908      0.00000
     15       9.7521      0.00000
     16      10.4129      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6585      1.00000
      2      -4.7422      1.00000
      3      -3.3585      1.00000
      4      -1.5208      1.00000
      5      -0.6607      1.00000
      6       0.1184      1.00000
      7       1.1124      1.00000
      8       2.0153      1.00000
      9       3.6480     -0.00130
     10       3.7416     -0.00013
     11       5.9293     -0.00000
     12       6.6997     -0.00000
     13       8.2321     -0.00000
     14       9.1908      0.00000
     15       9.7521      0.00000
     16      10.4141      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3599      1.00000
      2      -3.3377      1.00000
      3      -2.4457      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9021      1.00000
      7       0.6404      1.00000
      8       1.3817      1.00000
      9       3.3817     -0.03434
     10       3.5196     -0.01316
     11       5.6740     -0.00000
     12       6.0146     -0.00000
     13       8.3985     -0.00000
     14       8.8560      0.00000
     15      10.2398      0.00000
     16      10.5357      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3599      1.00000
      2      -3.3377      1.00000
      3      -2.4457      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9021      1.00000
      7       0.6404      1.00000
      8       1.3817      1.00000
      9       3.3817     -0.03434
     10       3.5196     -0.01316
     11       5.6740     -0.00000
     12       6.0146     -0.00000
     13       8.3985     -0.00000
     14       8.8560      0.00000
     15      10.2398      0.00000
     16      10.5357      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3599      1.00000
      2      -3.3377      1.00000
      3      -2.4457      1.00000
      4      -2.4314      1.00000
      5      -1.2951      1.00000
      6      -0.9021      1.00000
      7       0.6404      1.00000
      8       1.3817      1.00000
      9       3.3817     -0.03434
     10       3.5196     -0.01316
     11       5.6740     -0.00000
     12       6.0146     -0.00000
     13       8.3985     -0.00000
     14       8.8560      0.00000
     15      10.2398      0.00000
     16      10.5356      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2601      1.00000
      2      -9.3596      1.00000
      3      -7.9905      1.00000
      4      -6.1253      1.00000
      5      -3.6934      1.00000
      6      -0.9642      1.00000
      7       2.2405      1.00000
      8       5.1637     -0.00000
      9       5.9320     -0.00000
     10       8.4193     -0.00000
     11       8.4585     -0.00000
     12      11.4338      0.00000
     13      11.4495      0.00000
     14      11.8875      0.00000
     15      12.0152      0.00000
     16      12.6316      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2601      1.00000
      2      -9.3596      1.00000
      3      -7.9905      1.00000
      4      -6.1253      1.00000
      5      -3.6934      1.00000
      6      -0.9642      1.00000
      7       2.2405      1.00000
      8       5.1637     -0.00000
      9       5.9320     -0.00000
     10       8.4193     -0.00000
     11       8.4585     -0.00000
     12      11.4338      0.00000
     13      11.4495      0.00000
     14      11.8875      0.00000
     15      12.0152      0.00000
     16      12.6270      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2601      1.00000
      2      -9.3596      1.00000
      3      -7.9905      1.00000
      4      -6.1253      1.00000
      5      -3.6934      1.00000
      6      -0.9642      1.00000
      7       2.2405      1.00000
      8       5.1637     -0.00000
      9       5.9320     -0.00000
     10       8.4193     -0.00000
     11       8.4585     -0.00000
     12      11.4338      0.00000
     13      11.4495      0.00000
     14      11.8875      0.00000
     15      12.0155      0.00000
     16      12.6741      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4257      1.00000
      2      -8.5225      1.00000
      3      -7.1490      1.00000
      4      -5.2776      1.00000
      5      -2.8334      1.00000
      6      -0.1287      1.00000
      7       3.0471      0.88525
      8       5.8164     -0.00000
      9       6.6007     -0.00000
     10       7.8643     -0.00000
     11       8.5876     -0.00000
     12       9.0024      0.00000
     13       9.4199      0.00000
     14       9.8339      0.00000
     15      10.1850      0.00000
     16      10.7212      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0303      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0376      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0322      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0323      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5983      0.00000
     16      10.2446      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1728      1.00000
      2      -7.2650      1.00000
      3      -5.8850      1.00000
      4      -4.0072      1.00000
      5      -1.5581      1.00000
      6       1.0900      1.00000
      7       3.8105     -0.00002
      8       4.6810     -0.00000
      9       5.4041     -0.00000
     10       6.5085     -0.00000
     11       7.0821     -0.00000
     12       7.6963     -0.00000
     13       8.1807     -0.00000
     14       8.9031      0.00000
     15       9.5982      0.00000
     16      10.0402      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4982      1.00000
      2      -5.5843      1.00000
      3      -4.1987      1.00000
      4      -2.3275      1.00000
      5       0.0126      1.00000
      6       1.0069      1.00000
      7       1.9794      1.00000
      8       2.9850      0.99954
      9       3.5219     -0.01280
     10       5.1950     -0.00000
     11       5.8955     -0.00000
     12       7.3237     -0.00000
     13       7.9814     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1253      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6921      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6924      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6924      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6921      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6921      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4823      1.00000
      3      -2.1151      1.00000
      4      -1.8869      1.00000
      5      -1.0386      1.00000
      6      -0.3596      1.00000
      7       0.6425      1.00000
      8       2.2882      1.00000
      9       2.6617      1.00140
     10       4.7295     -0.00000
     11       4.9032     -0.00000
     12       7.0257     -0.00000
     13       7.4873     -0.00000
     14       8.0154     -0.00000
     15       8.8379      0.00000
     16       9.6934      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4749      1.00000
      3      -6.0959      1.00000
      4      -4.2186      1.00000
      5      -1.7679      1.00000
      6       0.8981      1.00000
      7       3.9478     -0.00000
      8       6.0200     -0.00000
      9       6.4994     -0.00000
     10       7.2308     -0.00000
     11       7.3176     -0.00000
     12       7.4885     -0.00000
     13       7.6006     -0.00000
     14       8.3759     -0.00000
     15       8.7417      0.00000
     16      10.0506      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4749      1.00000
      3      -6.0959      1.00000
      4      -4.2186      1.00000
      5      -1.7679      1.00000
      6       0.8981      1.00000
      7       3.9478     -0.00000
      8       6.0200     -0.00000
      9       6.4994     -0.00000
     10       7.2308     -0.00000
     11       7.3176     -0.00000
     12       7.4885     -0.00000
     13       7.6006     -0.00000
     14       8.3759     -0.00000
     15       8.7417      0.00000
     16      10.0469      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3819      1.00000
      2      -7.4749      1.00000
      3      -6.0959      1.00000
      4      -4.2186      1.00000
      5      -1.7679      1.00000
      6       0.8981      1.00000
      7       3.9478     -0.00000
      8       6.0200     -0.00000
      9       6.4994     -0.00000
     10       7.2308     -0.00000
     11       7.3176     -0.00000
     12       7.4885     -0.00000
     13       7.6006     -0.00000
     14       8.3759     -0.00000
     15       8.7417      0.00000
     16      10.0552      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9180      1.00000
      2      -6.0054      1.00000
      3      -4.6203      1.00000
      4      -2.7425      1.00000
      5      -0.3189      1.00000
      6       2.1605      1.00000
      7       3.1418      0.54677
      8       4.1018     -0.00000
      9       5.0894     -0.00000
     10       5.3571     -0.00000
     11       5.9053     -0.00000
     12       6.4796     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4102     -0.00000
     16       8.7558      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8396      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8288      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8387      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8432      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8504      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.1132      1.00000
      3      -2.7301      1.00000
      4      -0.9028      1.00000
      5      -0.0441      1.00000
      6       0.7204      1.00000
      7       1.7033      1.00000
      8       2.5874      1.00024
      9       4.0712     -0.00000
     10       4.2693     -0.00000
     11       4.8730     -0.00000
     12       5.7286     -0.00000
     13       6.6223     -0.00000
     14       7.3947     -0.00000
     15       7.5151     -0.00000
     16       8.8619      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7341      1.00000
      2      -2.7117      1.00000
      3      -1.8196      1.00000
      4      -1.8116      1.00000
      5      -0.6808      1.00000
      6      -0.2889      1.00000
      7       1.2409      1.00000
      8       1.9736      1.00000
      9       3.7714     -0.00006
     10       3.9002     -0.00000
     11       4.7221     -0.00000
     12       5.7557     -0.00000
     13       6.3929     -0.00000
     14       6.7509     -0.00000
     15       7.1245     -0.00000
     16       8.6762      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7341      1.00000
      2      -2.7117      1.00000
      3      -1.8196      1.00000
      4      -1.8116      1.00000
      5      -0.6808      1.00000
      6      -0.2889      1.00000
      7       1.2409      1.00000
      8       1.9736      1.00000
      9       3.7714     -0.00006
     10       3.9002     -0.00000
     11       4.7221     -0.00000
     12       5.7557     -0.00000
     13       6.3929     -0.00000
     14       6.7509     -0.00000
     15       7.1245     -0.00000
     16       8.6762      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7341      1.00000
      2      -2.7117      1.00000
      3      -1.8196      1.00000
      4      -1.8116      1.00000
      5      -0.6808      1.00000
      6      -0.2889      1.00000
      7       1.2409      1.00000
      8       1.9736      1.00000
      9       3.7714     -0.00006
     10       3.9002     -0.00000
     11       4.7221     -0.00000
     12       5.7557     -0.00000
     13       6.3929     -0.00000
     14       6.7509     -0.00000
     15       7.1245     -0.00000
     16       8.6774      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3240      1.00000
      3      -2.9382      1.00000
      4      -1.0847      1.00000
      5       1.1475      1.00000
      6       2.1058      1.00000
      7       2.2696      1.00000
      8       2.9893      0.99470
      9       3.4421     -0.03002
     10       4.2271     -0.00000
     11       4.4854     -0.00000
     12       4.8536     -0.00000
     13       6.2108     -0.00000
     14       6.8505     -0.00000
     15       7.2430     -0.00000
     16       8.6813      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3240      1.00000
      3      -2.9382      1.00000
      4      -1.0847      1.00000
      5       1.1475      1.00000
      6       2.1058      1.00000
      7       2.2696      1.00000
      8       2.9893      0.99470
      9       3.4421     -0.03002
     10       4.2271     -0.00000
     11       4.4854     -0.00000
     12       4.8536     -0.00000
     13       6.2108     -0.00000
     14       6.8505     -0.00000
     15       7.2430     -0.00000
     16       8.6801      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2412      1.00000
      2      -4.3240      1.00000
      3      -2.9382      1.00000
      4      -1.0847      1.00000
      5       1.1475      1.00000
      6       2.1058      1.00000
      7       2.2696      1.00000
      8       2.9893      0.99470
      9       3.4421     -0.03002
     10       4.2271     -0.00000
     11       4.4854     -0.00000
     12       4.8536     -0.00000
     13       6.2108     -0.00000
     14       6.8505     -0.00000
     15       7.2430     -0.00000
     16       8.6810      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2237     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2247     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38293
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2244     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38293
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2275     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2244     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1426      1.00000
      2      -2.2296      1.00000
      3      -0.8776      1.00000
      4      -0.6416      1.00000
      5       0.1849      1.00000
      6       0.8217      1.00000
      7       1.7614      1.00000
      8       1.8332      1.00000
      9       2.5563      1.00010
     10       3.1811      0.38294
     11       4.1303     -0.00000
     12       4.6575     -0.00000
     13       6.0462     -0.00000
     14       6.1509     -0.00000
     15       6.3645     -0.00000
     16       8.2260     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8712      1.00000
      2      -0.8533      1.00000
      3      -0.8283      1.00000
      4      -0.0181      1.00000
      5       0.0489      1.00000
      6       0.0669      1.00000
      7       1.0912      1.00000
      8       1.0959      1.00000
      9       1.7931      1.00000
     10       2.6826      1.00218
     11       4.0826     -0.00000
     12       4.1089     -0.00000
     13       5.9681     -0.00000
     14       5.9994     -0.00000
     15       6.0521     -0.00000
     16       8.0131     -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   1.881  -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  13.768   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   1.881  -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
115.768 -61.835  -0.000  -0.078  -0.000   0.000  -0.023   0.000
-61.835  33.028   0.000   0.033   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.074   0.000  -0.000  -0.322  -0.000   0.000
 -0.078   0.033   0.000   1.745   0.000  -0.000  -0.267  -0.000
 -0.000   0.000  -0.000   0.000   2.074   0.000  -0.000  -0.322
  0.000  -0.000  -0.322  -0.000   0.000   0.050   0.000  -0.000
 -0.023   0.014  -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
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -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      0.0019
    FORHF :  cpu time    423.4900: real time    426.4550
    FORNL :  cpu time      0.5013: real time      0.5065
    FORCOR:  cpu time      1.9567: real time      1.9673
    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
 -----------------------------------------------------------------------------------------------
   0.134E-06 -.441E-05 0.183E+03   0.439E-13 0.277E-13 -.182E+03   -.659E-07 0.468E-05 -.126E+01
   -.955E-06 0.155E-05 0.911E+02   0.181E-14 0.585E-14 -.911E+02   0.924E-06 -.161E-05 0.146E+00
   -.695E-06 -.182E-05 -.705E+00   -.150E-12 -.883E-13 0.692E+00   0.180E-06 0.196E-05 0.147E-01
   -.164E-05 0.464E-06 -.923E+02   0.137E-12 0.830E-13 0.922E+02   0.169E-05 -.378E-06 0.103E+00
   0.936E-06 -.340E-05 -.181E+03   -.422E-13 -.252E-13 0.180E+03   -.776E-06 0.379E-05 0.992E+00
 -----------------------------------------------------------------------------------------------
   -.143E-05 -.753E-05 -.121E-01   -.971E-14 0.313E-14 0.000E+00   0.195E-05 0.844E-05 -.113E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.121009
      0.00000      0.00000      2.33311         0.000000     -0.000000      0.108520
      1.42873      0.82488      4.65833        -0.000000      0.000000      0.003602
      2.85746      1.64976      6.98590        -0.000000     -0.000000      0.004861
      0.00000      0.00000      9.37284         0.000000      0.000000      0.004027
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000001     -0.013510


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90225999 eV

  energy  without entropy=      -13.89728144  energy(sigma->0) =      -13.90060047
 
 d Force = 0.4257878E-05[ 0.342E-05, 0.509E-05]  d Energy = 0.5764348E-05-0.151E-05
 d Force = 0.9278190E-01[ 0.928E-01, 0.928E-01]  d Ewald  = 0.9278190E-01-0.171E-12


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


    POTLOK:  cpu time      1.9616: real time      1.9723


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.255E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.6029
 eigenvalue spectrum of G is  0.2877  2.9181


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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  cpu time   2204.4573: real time   2222.5676
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0    71699. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       3159. kBytes
   fftplans  :       4460. kBytes
   grid      :       3201. kBytes
   one-center:         12. kBytes
   HF        :          4. kBytes
   nonlr-proj:       8671. kBytes
   wavefun   :      19095. kBytes
   fock_wrk  :       3097. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   169758.312
                            User time (sec):   160782.425
                          System time (sec):     8975.889
                         Elapsed time (sec):   171158.729
  
                   Maximum memory used (kb):      288344.
                   Average memory used (kb):          N/A
  
                          Minor page faults:      1111462
                          Major page faults:          141
                 Voluntary context switches:         5349
