 vasp.6.3.2 27Jun22 (build Feb 06 2023 14:45:50) complex                        
  
 executed on             LinuxIFC date 2023.03.06  17:07:44
 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      0.5339: real time      0.5384
 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      0.0020: real time      0.0020


--------------------------------------- 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      1.2689: real time      1.2771
    SETDIJ:  cpu time      1.2457: real time      1.2514
    TRIAL :  cpu time    576.9201: real time    581.8366
    CORREC:  cpu time      0.0026: real time      0.0026
    CHARGE:  cpu time      0.2259: real time      0.2277
    --------------------------------------------
      LOOP:  cpu time    579.6660: real time    584.6270

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1291281E+02  (-0.1545088E+00)
 number of electron      15.0000000 magnetization      -0.0000156
 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   =      -704.64276864
  -exchange      EXHF   =        33.26481113
  -V(xc)+E(xc)   XCENC  =       -83.63778084
  PAW double counting   =       429.69572150     -328.75866936
  entropy T*S    EENTRO =        -0.00345169
  eigenvalues    EBANDS =       -34.02884070
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -12.91281132 eV

  energy without entropy =      -12.90935963  energy(sigma->0) =      -12.91166076
  exchange ACFDT corr.  =        -0.00484623  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2285: real time      1.2343
    TRIAL :  cpu time    577.9785: real time    582.7950
    CORREC:  cpu time      0.0030: real time      0.0030
    CHARGE:  cpu time      0.2260: real time      0.2277
    --------------------------------------------
      LOOP:  cpu time    580.1590: real time    584.9887

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1426679E+00  (-0.1920633E+00)
 number of electron      15.0000000 magnetization      -0.0000163
 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   =      -704.16563671
  -exchange      EXHF   =        33.26874440
  -V(xc)+E(xc)   XCENC  =       -83.61243406
  PAW double counting   =       634.49858868     -533.54257675
  entropy T*S    EENTRO =        -0.00270251
  eigenvalues    EBANDS =       -34.69754228
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.05547925 eV

  energy without entropy =      -13.05277674  energy(sigma->0) =      -13.05457841
  exchange ACFDT corr.  =        -0.00454385  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7276
    SETDIJ:  cpu time      1.2290: real time      1.2341
    TRIAL :  cpu time    577.4845: real time    582.3114
    CORREC:  cpu time      0.0030: real time      0.0030
    CHARGE:  cpu time      0.2261: real time      0.2279
    --------------------------------------------
      LOOP:  cpu time    579.6653: real time    584.5046

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1724561E+00  (-0.1728163E+00)
 number of electron      15.0000000 magnetization      -0.0000163
 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   =      -703.83117450
  -exchange      EXHF   =        33.27800116
  -V(xc)+E(xc)   XCENC  =       -83.57826445
  PAW double counting   =      1236.90853955    -1135.92893960
  entropy T*S    EENTRO =        -0.00218946
  eigenvalues    EBANDS =       -35.27222412
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.22793531 eV

  energy without entropy =      -13.22574585  energy(sigma->0) =      -13.22720549
  exchange ACFDT corr.  =        -0.00402498  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7221: real time      0.7275
    SETDIJ:  cpu time      1.2393: real time      1.2443
    TRIAL :  cpu time    574.2712: real time    579.0084
    CORREC:  cpu time      0.0032: real time      0.0032
    CHARGE:  cpu time      0.2262: real time      0.2280
    --------------------------------------------
      LOOP:  cpu time    576.4624: real time    581.2119

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1545446E+00  (-0.1434848E+00)
 number of electron      15.0000000 magnetization      -0.0000153
 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   =      -703.76741735
  -exchange      EXHF   =        33.29068534
  -V(xc)+E(xc)   XCENC  =       -83.54733442
  PAW double counting   =      2630.38180798    -2529.38314961
  entropy T*S    EENTRO =        -0.00198940
  eigenvalues    EBANDS =       -35.55371154
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.38247990 eV

  energy without entropy =      -13.38049050  energy(sigma->0) =      -13.38181677
  exchange ACFDT corr.  =        -0.00366909  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7222: real time      0.7276
    SETDIJ:  cpu time      1.2292: real time      1.2344
    TRIAL :  cpu time    575.3643: real time    580.0352
    CORREC:  cpu time      0.0032: real time      0.0032
    CHARGE:  cpu time      0.2263: real time      0.2280
    --------------------------------------------
      LOOP:  cpu time    577.5457: real time    582.2290

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1297637E+00  (-0.1191121E+00)
 number of electron      15.0000000 magnetization      -0.0000138
 augmentation part       -0.1031569 magnetization       0.0000052

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.86614962
  -exchange      EXHF   =        33.30270178
  -V(xc)+E(xc)   XCENC  =       -83.52672480
  PAW double counting   =      5275.54852305    -5174.54012031
  entropy T*S    EENTRO =        -0.00204059
  eigenvalues    EBANDS =       -35.62731345
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.51224359 eV

  energy without entropy =      -13.51020300  energy(sigma->0) =      -13.51156340
  exchange ACFDT corr.  =        -0.00355085  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2307: real time      1.2359
    TRIAL :  cpu time    576.0750: real time    580.9265
    CORREC:  cpu time      0.0032: real time      0.0032
    CHARGE:  cpu time      0.2257: real time      0.2275
    --------------------------------------------
      LOOP:  cpu time    578.2578: real time    583.1218

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1084278E+00  (-0.9730043E-01)
 number of electron      15.0000000 magnetization      -0.0000124
 augmentation part       -0.0836261 magnetization       0.0000072

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.01334513
  -exchange      EXHF   =        33.31038417
  -V(xc)+E(xc)   XCENC  =       -83.51799528
  PAW double counting   =      9559.30932532    -9458.30071124
  entropy T*S    EENTRO =        -0.00224531
  eigenvalues    EBANDS =       -35.60511783
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.62067143 eV

  energy without entropy =      -13.61842612  energy(sigma->0) =      -13.61992299
  exchange ACFDT corr.  =        -0.00358240  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7275
    SETDIJ:  cpu time      1.2324: real time      1.2377
    TRIAL :  cpu time    574.0672: real time    578.8942
    CORREC:  cpu time      0.0031: real time      0.0032
    CHARGE:  cpu time      0.2257: real time      0.2274
    --------------------------------------------
      LOOP:  cpu time    576.2509: real time    581.0903

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8799886E-01  (-0.7550740E-01)
 number of electron      15.0000000 magnetization      -0.0000117
 augmentation part       -0.0663517 magnetization       0.0000083

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.13069534
  -exchange      EXHF   =        33.31246111
  -V(xc)+E(xc)   XCENC  =       -83.51838183
  PAW double counting   =     15750.90067058   -15649.89889436
  entropy T*S    EENTRO =        -0.00251754
  eigenvalues    EBANDS =       -35.57041431
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.70867029 eV

  energy without entropy =      -13.70615276  energy(sigma->0) =      -13.70783111
  exchange ACFDT corr.  =        -0.00369634  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2372: real time      1.2423
    TRIAL :  cpu time    574.0306: real time    578.9106
    CORREC:  cpu time      0.0032: real time      0.0032
    CHARGE:  cpu time      0.2255: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time    576.2198: real time    581.1121

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6738158E-01  (-0.5507143E-01)
 number of electron      15.0000000 magnetization      -0.0000125
 augmentation part       -0.0507880 magnetization       0.0000095

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.17873667
  -exchange      EXHF   =        33.31029131
  -V(xc)+E(xc)   XCENC  =       -83.52312139
  PAW double counting   =     24023.44373928   -23922.45184445
  entropy T*S    EENTRO =        -0.00279794
  eigenvalues    EBANDS =       -35.57269158
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.77605187 eV

  energy without entropy =      -13.77325394  energy(sigma->0) =      -13.77511923
  exchange ACFDT corr.  =        -0.00384098  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7276
    SETDIJ:  cpu time      1.2329: real time      1.2380
    TRIAL :  cpu time    577.1212: real time    582.0160
    CORREC:  cpu time      0.0033: real time      0.0033
    CHARGE:  cpu time      0.2266: real time      0.2283
    --------------------------------------------
      LOOP:  cpu time    579.3065: real time    584.2140

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4844693E-01  (-0.3774010E-01)
 number of electron      15.0000000 magnetization      -0.0000156
 augmentation part       -0.0369423 magnetization       0.0000106

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.17870984
  -exchange      EXHF   =        33.30659253
  -V(xc)+E(xc)   XCENC  =       -83.52792505
  PAW double counting   =     34405.84475203   -34304.86212208
  entropy T*S    EENTRO =        -0.00305563
  eigenvalues    EBANDS =       -35.60311761
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.82449880 eV

  energy without entropy =      -13.82144317  energy(sigma->0) =      -13.82348026
  exchange ACFDT corr.  =        -0.00398561  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7221: real time      0.7275
    SETDIJ:  cpu time      1.2332: real time      1.2387
    TRIAL :  cpu time    577.6871: real time    582.5748
    CORREC:  cpu time      0.0032: real time      0.0032
    CHARGE:  cpu time      0.2258: real time      0.2274
    --------------------------------------------
      LOOP:  cpu time    579.8718: real time    584.7720

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3266499E-01  (-0.2388683E-01)
 number of electron      15.0000000 magnetization      -0.0000205
 augmentation part       -0.0252626 magnetization       0.0000108

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.18302074
  -exchange      EXHF   =        33.30365934
  -V(xc)+E(xc)   XCENC  =       -83.53058722
  PAW double counting   =     46557.50860806   -46456.53302940
  entropy T*S    EENTRO =        -0.00327872
  eigenvalues    EBANDS =       -35.61856736
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.85716379 eV

  energy without entropy =      -13.85388507  energy(sigma->0) =      -13.85607088
  exchange ACFDT corr.  =        -0.00411742  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7219: real time      0.7276
    SETDIJ:  cpu time      1.2322: real time      1.2373
    TRIAL :  cpu time    574.1336: real time    579.0214
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2258: real time      0.2276
    --------------------------------------------
      LOOP:  cpu time    576.3175: real time    581.2179

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2024369E-01  (-0.1366376E-01)
 number of electron      15.0000000 magnetization      -0.0000260
 augmentation part       -0.0161285 magnetization       0.0000094

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.21041438
  -exchange      EXHF   =        33.30222098
  -V(xc)+E(xc)   XCENC  =       -83.53125052
  PAW double counting   =     59524.56908093   -59423.59829228
  entropy T*S    EENTRO =        -0.00346513
  eigenvalues    EBANDS =       -35.60430265
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87740748 eV

  energy without entropy =      -13.87394235  energy(sigma->0) =      -13.87625244
  exchange ACFDT corr.  =        -0.00423248  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7271
    SETDIJ:  cpu time      1.2329: real time      1.2384
    TRIAL :  cpu time    575.1462: real time    580.0079
    CORREC:  cpu time      0.0033: real time      0.0034
    CHARGE:  cpu time      0.2256: real time      0.2273
    --------------------------------------------
      LOOP:  cpu time    577.3304: real time    582.2048

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1128804E-01  (-0.6991703E-02)
 number of electron      15.0000000 magnetization      -0.0000317
 augmentation part       -0.0095303 magnetization       0.0000066

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.23964186
  -exchange      EXHF   =        33.30171795
  -V(xc)+E(xc)   XCENC  =       -83.53125473
  PAW double counting   =     71959.01041829   -71858.04300263
  entropy T*S    EENTRO =        -0.00361731
  eigenvalues    EBANDS =       -35.58229657
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88869552 eV

  energy without entropy =      -13.88507821  energy(sigma->0) =      -13.88748975
  exchange ACFDT corr.  =        -0.00432981  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7221: real time      0.7275
    SETDIJ:  cpu time      1.2425: real time      1.2476
    TRIAL :  cpu time    574.5839: real time    579.4301
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2254: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time    576.7786: real time    581.6372

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5595652E-02  (-0.3161289E-02)
 number of electron      15.0000000 magnetization      -0.0000372
 augmentation part       -0.0051131 magnetization       0.0000029

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25367118
  -exchange      EXHF   =        33.30140555
  -V(xc)+E(xc)   XCENC  =       -83.53165219
  PAW double counting   =     82648.23869702   -82547.27437659
  entropy T*S    EENTRO =        -0.00374035
  eigenvalues    EBANDS =       -35.56990562
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89429117 eV

  energy without entropy =      -13.89055083  energy(sigma->0) =      -13.89304439
  exchange ACFDT corr.  =        -0.00441050  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7271
    SETDIJ:  cpu time      1.2339: real time      1.2390
    TRIAL :  cpu time    575.1649: real time    580.0314
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2264: real time      0.2281
    --------------------------------------------
      LOOP:  cpu time    577.3511: real time    582.2300

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2429121E-02  (-0.1246158E-02)
 number of electron      15.0000000 magnetization      -0.0000424
 augmentation part       -0.0023629 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25653428
  -exchange      EXHF   =        33.30101277
  -V(xc)+E(xc)   XCENC  =       -83.53258172
  PAW double counting   =     90895.92863050   -90794.96701085
  entropy T*S    EENTRO =        -0.00383998
  eigenvalues    EBANDS =       -35.56532552
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89672029 eV

  energy without entropy =      -13.89288032  energy(sigma->0) =      -13.89544030
  exchange ACFDT corr.  =        -0.00447707  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7216: real time      0.7271
    SETDIJ:  cpu time      1.2323: real time      1.2374
    TRIAL :  cpu time    575.7330: real time    580.5674
    CORREC:  cpu time      0.0035: real time      0.0036
    CHARGE:  cpu time      0.2276: real time      0.2294
    --------------------------------------------
      LOOP:  cpu time    577.9185: real time    582.7653

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9068208E-03  (-0.4405192E-03)
 number of electron      15.0000000 magnetization      -0.0000471
 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   =      -704.25751785
  -exchange      EXHF   =        33.30066490
  -V(xc)+E(xc)   XCENC  =       -83.53360371
  PAW double counting   =     96599.71909083   -96498.75965327
  entropy T*S    EENTRO =        -0.00392122
  eigenvalues    EBANDS =       -35.56159720
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89762711 eV

  energy without entropy =      -13.89370590  energy(sigma->0) =      -13.89632004
  exchange ACFDT corr.  =        -0.00453225  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7275
    SETDIJ:  cpu time      1.2353: real time      1.2404
    TRIAL :  cpu time    574.4408: real time    579.2648
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2271: real time      0.2289
    --------------------------------------------
      LOOP:  cpu time    576.6292: real time    581.4657

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3056193E-03  (-0.1711540E-03)
 number of electron      15.0000000 magnetization      -0.0000511
 augmentation part       -0.0000115 magnetization      -0.0000033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25937451
  -exchange      EXHF   =        33.30052767
  -V(xc)+E(xc)   XCENC  =       -83.53432097
  PAW double counting   =    100075.96132523   -99975.00327498
  entropy T*S    EENTRO =        -0.00398797
  eigenvalues    EBANDS =       -35.55772312
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89793273 eV

  energy without entropy =      -13.89394476  energy(sigma->0) =      -13.89660341
  exchange ACFDT corr.  =        -0.00457830  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7271
    SETDIJ:  cpu time      1.2325: real time      1.2377
    TRIAL :  cpu time    575.4422: real time    580.2872
    CORREC:  cpu time      0.0034: real time      0.0034
    CHARGE:  cpu time      0.2279: real time      0.2297
    --------------------------------------------
      LOOP:  cpu time    577.6283: real time    582.4857

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1234775E-03  (-0.9936392E-04)
 number of electron      15.0000000 magnetization      -0.0000544
 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   =      -704.26107088
  -exchange      EXHF   =        33.30060325
  -V(xc)+E(xc)   XCENC  =       -83.53468292
  PAW double counting   =    101882.53265539  -101781.57557367
  entropy T*S    EENTRO =        -0.00404346
  eigenvalues    EBANDS =       -35.55482856
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89805621 eV

  energy without entropy =      -13.89401275  energy(sigma->0) =      -13.89670839
  exchange ACFDT corr.  =        -0.00461743  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7274
    SETDIJ:  cpu time      1.2306: real time      1.2357
    TRIAL :  cpu time    578.7680: real time    583.6199
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2272: real time      0.2290
    --------------------------------------------
      LOOP:  cpu time    580.9520: real time    585.8162

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8320587E-04  (-0.7959463E-04)
 number of electron      15.0000000 magnetization      -0.0000571
 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   =      -704.26197381
  -exchange      EXHF   =        33.30080467
  -V(xc)+E(xc)   XCENC  =       -83.53482838
  PAW double counting   =    102593.41780750  -102492.46095952
  entropy T*S    EENTRO =        -0.00409013
  eigenvalues    EBANDS =       -35.55377557
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89813942 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      0.7218: real time      0.7272
    SETDIJ:  cpu time      1.2323: real time      1.2374
    TRIAL :  cpu time    574.9581: real time    579.7889
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2270: real time      0.2287
    --------------------------------------------
      LOOP:  cpu time    577.1433: real time    581.9865

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7252433E-04  (-0.6642366E-04)
 number of electron      15.0000000 magnetization      -0.0000593
 augmentation part        0.0001846 magnetization      -0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26248390
  -exchange      EXHF   =        33.30104891
  -V(xc)+E(xc)   XCENC  =       -83.53488803
  PAW double counting   =    102689.33998545  -102588.38320980
  entropy T*S    EENTRO =        -0.00412987
  eigenvalues    EBANDS =       -35.55340359
  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      0.7218: real time      0.7272
    SETDIJ:  cpu time      1.2312: real time      1.2363
    TRIAL :  cpu time    575.3723: real time    580.1853
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2266: real time      0.2284
    --------------------------------------------
      LOOP:  cpu time    577.5561: real time    582.3814

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6235884E-04  (-0.5319714E-04)
 number of electron      15.0000000 magnetization      -0.0000611
 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   =      -704.26308072
  -exchange      EXHF   =        33.30129068
  -V(xc)+E(xc)   XCENC  =       -83.53492541
  PAW double counting   =    102491.15251759  -102390.19575580
  entropy T*S    EENTRO =        -0.00416410
  eigenvalues    EBANDS =       -35.55301992
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89827430 eV

  energy without entropy =      -13.89411020  energy(sigma->0) =      -13.89688627
  exchange ACFDT corr.  =        -0.00470644  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7221: real time      0.7276
    SETDIJ:  cpu time      1.2323: real time      1.2374
    TRIAL :  cpu time    574.1281: real time    578.9301
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2277: real time      0.2294
    --------------------------------------------
      LOOP:  cpu time    576.3148: real time    581.1292

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5056280E-04  (-0.4100948E-04)
 number of electron      15.0000000 magnetization      -0.0000625
 augmentation part       -0.0001394 magnetization      -0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26386665
  -exchange      EXHF   =        33.30151459
  -V(xc)+E(xc)   XCENC  =       -83.53495714
  PAW double counting   =    102183.37623438  -102082.41954814
  entropy T*S    EENTRO =        -0.00419386
  eigenvalues    EBANDS =       -35.55236695
  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      0.7220: real time      0.7274
    SETDIJ:  cpu time      1.2319: real time      1.2370
    TRIAL :  cpu time    575.0124: real time    579.8565
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2275: real time      0.2293
    --------------------------------------------
      LOOP:  cpu time    577.1979: real time    582.0544

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3926216E-04  (-0.3089424E-04)
 number of electron      15.0000000 magnetization      -0.0000635
 augmentation part       -0.0002836 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26468803
  -exchange      EXHF   =        33.30171892
  -V(xc)+E(xc)   XCENC  =       -83.53498197
  PAW double counting   =    101864.30351851  -101763.34689801
  entropy T*S    EENTRO =        -0.00421992
  eigenvalues    EBANDS =       -35.55166885
  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      0.7223: real time      0.7276
    SETDIJ:  cpu time      1.2333: real time      1.2385
    TRIAL :  cpu time    575.0913: real time    579.9236
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2274: real time      0.2291
    --------------------------------------------
      LOOP:  cpu time    577.2785: real time    582.1232

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2982706E-04  (-0.2319067E-04)
 number of electron      15.0000000 magnetization      -0.0000641
 augmentation part       -0.0003994 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26546369
  -exchange      EXHF   =        33.30190638
  -V(xc)+E(xc)   XCENC  =       -83.53499659
  PAW double counting   =    101583.30958051  -101482.35287092
  entropy T*S    EENTRO =        -0.00424292
  eigenvalues    EBANDS =       -35.55115888
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89839395 eV

  energy without entropy =      -13.89415104  energy(sigma->0) =      -13.89697965
  exchange ACFDT corr.  =        -0.00476851  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7218: real time      0.7272
    SETDIJ:  cpu time      1.2325: real time      1.2376
    TRIAL :  cpu time    575.4416: real time    580.2816
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2267: real time      0.2285
    --------------------------------------------
      LOOP:  cpu time    577.6270: real time    582.4794

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2263040E-04  (-0.1764585E-04)
 number of electron      15.0000000 magnetization      -0.0000644
 augmentation part       -0.0004862 magnetization      -0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26630672
  -exchange      EXHF   =        33.30207855
  -V(xc)+E(xc)   XCENC  =       -83.53500405
  PAW double counting   =    101360.39837474  -101259.44156463
  entropy T*S    EENTRO =        -0.00426331
  eigenvalues    EBANDS =       -35.55058071
  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      0.7221: real time      0.7276
    SETDIJ:  cpu time      1.2323: real time      1.2373
    TRIAL :  cpu time    576.1886: real time    581.0580
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2269: real time      0.2287
    --------------------------------------------
      LOOP:  cpu time    578.3744: real time    583.2560

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1739686E-04  (-0.1377348E-04)
 number of electron      15.0000000 magnetization      -0.0000644
 augmentation part       -0.0005481 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26724145
  -exchange      EXHF   =        33.30223540
  -V(xc)+E(xc)   XCENC  =       -83.53500953
  PAW double counting   =    101197.61978697  -101096.66294240
  entropy T*S    EENTRO =        -0.00428148
  eigenvalues    EBANDS =       -35.54982881
  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      0.7218: real time      0.7276
    SETDIJ:  cpu time      1.2318: real time      1.2369
    TRIAL :  cpu time    574.6149: real time    579.4520
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2275: real time      0.2293
    --------------------------------------------
      LOOP:  cpu time    576.8007: real time    581.6505

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1365553E-04  (-0.1099943E-04)
 number of electron      15.0000000 magnetization      -0.0000642
 augmentation part       -0.0005905 magnetization      -0.0000012

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26817468
  -exchange      EXHF   =        33.30237659
  -V(xc)+E(xc)   XCENC  =       -83.53501654
  PAW double counting   =    101086.38624847  -100985.42939738
  entropy T*S    EENTRO =        -0.00429772
  eigenvalues    EBANDS =       -35.54903177
  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      0.7220: real time      0.7274
    SETDIJ:  cpu time      1.2329: real time      1.2379
    TRIAL :  cpu time    574.9579: real time    579.8202
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2264: real time      0.2286
    --------------------------------------------
      LOOP:  cpu time    577.1438: real time    582.0189

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1091490E-04  (-0.8910114E-05)
 number of electron      15.0000000 magnetization      -0.0000638
 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   =      -704.26898224
  -exchange      EXHF   =        33.30250264
  -V(xc)+E(xc)   XCENC  =       -83.53502590
  PAW double counting   =    101014.87005002  -100913.91320399
  entropy T*S    EENTRO =        -0.00431228
  eigenvalues    EBANDS =       -35.54833053
  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      0.7222: real time      0.7276
    SETDIJ:  cpu time      1.2321: real time      1.2376
    TRIAL :  cpu time    573.8121: real time    578.6636
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    572.4062: real time    577.0520
    CHARGE:  cpu time      0.2270: real time      0.2287
    --------------------------------------------
      LOOP:  cpu time   1148.4043: real time   1157.9142

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8822972E-05  (-0.7261606E-05)
 number of electron      15.0000000 magnetization      -0.0000632
 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   =      -704.26967536
  -exchange      EXHF   =        33.30271627
  -V(xc)+E(xc)   XCENC  =       -83.53503691
  PAW double counting   =    100971.60060723  -100870.64376966
  entropy T*S    EENTRO =        -0.00432538
  eigenvalues    EBANDS =       -35.54772477
  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   2.3931


 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:         3.1510190023

 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      12.0124      0.00000
     13      12.0881      0.00000
     14      16.3513      0.00000
     15      16.4760      0.00000
     16      16.5063      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      12.0882      0.00000
     13      12.5266      0.00000
     14      12.8298      0.00000
     15      14.0935      0.00000
     16      14.5360      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8403      1.00000
      3      -8.4459      1.00000
      4      -6.5244      1.00000
      5      -4.1077      1.00000
      6      -1.3769      1.00000
      7       1.8429      1.00000
      8       4.8519     -0.00000
      9       5.6002     -0.00000
     10       8.1072     -0.00000
     11       8.1733     -0.00000
     12      12.0855      0.00000
     13      12.6457      0.00000
     14      12.7209      0.00000
     15      13.8590      0.00000
     16      14.6011      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8403      1.00000
      3      -8.4459      1.00000
      4      -6.5244      1.00000
      5      -4.1077      1.00000
      6      -1.3769      1.00000
      7       1.8429      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1072     -0.00000
     11       8.1734     -0.00000
     12      12.1275      0.00000
     13      12.5670      0.00000
     14      12.7524      0.00000
     15      13.8544      0.00000
     16      14.6067      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8888      1.00000
      5      -3.4608      1.00000
      6      -0.7476      1.00000
      7       2.4693      1.00001
      8       5.3814     -0.00000
      9       6.1180     -0.00000
     10       8.4915     -0.00000
     11       8.6425     -0.00000
     12       9.7337      0.00000
     13      10.2602      0.00000
     14      11.3793      0.00000
     15      12.5087      0.00000
     16      12.7247      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8888      1.00000
      5      -3.4608      1.00000
      6      -0.7476      1.00000
      7       2.4693      1.00001
      8       5.3815     -0.00000
      9       6.1180     -0.00000
     10       8.4931     -0.00000
     11       8.6425     -0.00000
     12       9.7343      0.00000
     13      10.2423      0.00000
     14      11.4195      0.00000
     15      12.4493      0.00000
     16      12.8142      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       9.7343      0.00000
     13      10.2496      0.00000
     14      11.8970      0.00000
     15      11.9830      0.00000
     16      12.9137      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      12.1350      0.00000

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

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

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

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

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

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3971      1.00000
      4      -1.5014      1.00000
      5      -0.6734      1.00000
      6       0.0640      1.00000
      7       1.1034      1.00000
      8       1.9911      1.00000
      9       3.6648     -0.00085
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7184     -0.00000
     13       8.4216      0.00000
     14       9.4233      0.00000
     15       9.4344      0.00000
     16      10.4499      0.00000

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

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

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

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

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0257      1.00000
      4      -6.1007      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2634      1.00000
      8       5.2098     -0.00000
      9       5.9468     -0.00000
     10       8.4312     -0.00000
     11       8.4811     -0.00000
     12      11.4351      0.00000
     13      11.8218      0.00000
     14      11.8870      0.00000
     15      11.9095      0.00000
     16      12.4907      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0257      1.00000
      4      -6.1007      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2634      1.00000
      8       5.2098     -0.00000
      9       5.9468     -0.00000
     10       8.4312     -0.00000
     11       8.4813     -0.00000
     12      11.4346      0.00000
     13      11.8076      0.00000
     14      11.9028      0.00000
     15      11.9967      0.00000
     16      12.6916      0.00000

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

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82209
      8       5.8560     -0.00000
      9       6.6156     -0.00000
     10       7.8589     -0.00000
     11       8.5320     -0.00000
     12       9.0683      0.00000
     13       9.4331      0.00000
     14       9.8644      0.00000
     15      10.1494      0.00000
     16      10.5981      0.00000

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

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82209
      8       5.8559     -0.00000
      9       6.6157     -0.00000
     10       7.8586     -0.00000
     11       8.5319     -0.00000
     12       9.0624      0.00000
     13       9.4217      0.00000
     14       9.7872      0.00000
     15      10.3519      0.00000
     16      10.6845      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82209
      8       5.8558     -0.00000
      9       6.6159     -0.00000
     10       7.8590     -0.00000
     11       8.5319     -0.00000
     12       9.0666      0.00000
     13       9.4297      0.00000
     14       9.8104      0.00000
     15      10.2343      0.00000
     16      10.6079      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82208
      8       5.8560     -0.00000
      9       6.6157     -0.00000
     10       7.8590     -0.00000
     11       8.5320     -0.00000
     12       9.0639      0.00000
     13       9.4405      0.00000
     14       9.9171      0.00000
     15      10.1107      0.00000
     16      10.5942      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82206
      8       5.8560     -0.00000
      9       6.6156     -0.00000
     10       7.8589     -0.00000
     11       8.5319     -0.00000
     12       9.0688      0.00000
     13       9.4161      0.00000
     14       9.9336      0.00000
     15      10.1349      0.00000
     16      10.5741      0.00000

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

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

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

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

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

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

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3047      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00796
      9       3.4918     -0.01854
     10       5.2152     -0.00000
     11       5.9152     -0.00000
     12       7.3326     -0.00000
     13       8.5229      0.00000
     14       8.5517      0.00000
     15       8.9464      0.00000
     16       9.1097      0.00000

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

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

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

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

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

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

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

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

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6241      1.00000
      8       2.3061      1.00000
      9       2.6804      1.00215
     10       4.7305     -0.00000
     11       4.9224     -0.00000
     12       7.0277     -0.00000
     13       7.5732      0.00000
     14       8.0953      0.00000
     15       8.6605      0.00000
     16       9.7684      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00215
     10       4.7304     -0.00000
     11       4.9224     -0.00000
     12       7.0278     -0.00000
     13       8.2539      0.00000
     14       8.2772      0.00000
     15       8.8518      0.00000
     16       8.8969      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3598      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0277     -0.00000
     13       7.5429      0.00000
     14       8.1164      0.00000
     15       8.7756      0.00000
     16      10.5497      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1323      1.00000
      4      -4.1944      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9652     -0.00000
      8       6.0168     -0.00000
      9       6.4868     -0.00000
     10       7.1861     -0.00000
     11       7.3452     -0.00000
     12       7.4260     -0.00000
     13       7.7140      0.00000
     14       8.3560      0.00000
     15       9.4764      0.00000
     16       9.7769      0.00000

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

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

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

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

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

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

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

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59476
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8873     -0.00000
     12       6.4468     -0.00000
     13       7.5138      0.00000
     14       7.8498      0.00000
     15       8.2472      0.00000
     16       8.4389      0.00000

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

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

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

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

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

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

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7267      1.00000
      3      -1.8874      1.00000
      4      -1.8768      1.00000
      5      -0.7262      1.00000
      6      -0.3211      1.00000
      7       1.2625      1.00000
      8       1.9952      1.00000
      9       3.7728     -0.00005
     10       3.9144     -0.00000
     11       4.7024     -0.00000
     12       5.7206     -0.00000
     13       6.4595      0.00000
     14       6.8123      0.00000
     15       7.0199      0.00000
     16       8.9730      0.00000

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

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

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

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

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

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

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8178      1.00000
      7       1.7437      1.00000
      8       1.8171      1.00000
      9       2.4997      1.00002
     10       3.1784      0.38405
     11       4.1410     -0.00000
     12       4.6452     -0.00000
     13       6.0905      0.00000
     14       6.2380      0.00000
     15       6.3291      0.00000
     16       8.3577      0.00000

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

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

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

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

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8805      1.00000
      3      -0.8407      1.00000
      4      -0.0661      1.00000
      5      -0.0176      1.00000
      6      -0.0176      1.00000
      7       1.0481      1.00000
      8       1.0482      1.00000
      9       1.7700      1.00000
     10       2.7020      1.00338
     11       4.1207     -0.00000
     12       4.1207     -0.00000
     13       6.0087      0.00000
     14       6.0499      0.00000
     15       6.0560      0.00000
     16       7.9867      0.00000
 Fermi energy:         3.1510190023

 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      11.9060      0.00000
     13      12.1954      0.00000
     14      16.4491      0.00000
     15      16.5087      0.00000
     16      16.5752      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8404      1.00000
      3      -8.4460      1.00000
      4      -6.5245      1.00000
      5      -4.1077      1.00000
      6      -1.3770      1.00000
      7       1.8428      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1071     -0.00000
     11       8.1735     -0.00000
     12      12.1198      0.00000
     13      12.5994      0.00000
     14      12.7288      0.00000
     15      13.8078      0.00000
     16      14.5196      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8404      1.00000
      3      -8.4460      1.00000
      4      -6.5245      1.00000
      5      -4.1077      1.00000
      6      -1.3770      1.00000
      7       1.8428      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1071     -0.00000
     11       8.1734     -0.00000
     12      12.1197      0.00000
     13      12.6163      0.00000
     14      12.7056      0.00000
     15      13.8293      0.00000
     16      14.3254      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8404      1.00000
      3      -8.4460      1.00000
      4      -6.5245      1.00000
      5      -4.1077      1.00000
      6      -1.3770      1.00000
      7       1.8428      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1066     -0.00000
     11       8.1734     -0.00000
     12      12.0950      0.00000
     13      12.6759      0.00000
     14      12.6877      0.00000
     15      13.8902      0.00000
     16      14.4583      0.00000

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

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

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

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8296      1.00000
      5      -2.3889      1.00000
      6       0.2898      1.00000
      7       3.4255     -0.03292
      8       5.6447     -0.00000
      9       6.5587     -0.00000
     10       6.8242     -0.00000
     11       7.0669     -0.00000
     12       8.0302     -0.00000
     13       9.4745      0.00000
     14       9.7251      0.00000
     15       9.9981      0.00000
     16      11.2758      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       9.7627      0.00000
     16      11.6825      0.00000

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

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

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

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

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

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

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

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

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

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

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0258      1.00000
      4      -6.1008      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2632      1.00000
      8       5.2097     -0.00000
      9       5.9468     -0.00000
     10       8.4308     -0.00000
     11       8.4813     -0.00000
     12      11.4345      0.00000
     13      11.7034      0.00000
     14      11.8961      0.00000
     15      11.9500      0.00000
     16      12.5778      0.00000

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

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0258      1.00000
      4      -6.1008      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2632      1.00000
      8       5.2097     -0.00000
      9       5.9468     -0.00000
     10       8.4314     -0.00000
     11       8.4812     -0.00000
     12      11.4363      0.00000
     13      11.7744      0.00000
     14      11.8545      0.00000
     15      11.9378      0.00000
     16      12.6380      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82253
      8       5.8558     -0.00000
      9       6.6158     -0.00000
     10       7.8589     -0.00000
     11       8.5319     -0.00000
     12       9.0655      0.00000
     13       9.4386      0.00000
     14       9.8120      0.00000
     15      10.1515      0.00000
     16      10.6331      0.00000

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

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

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82251
      8       5.8559     -0.00000
      9       6.6158     -0.00000
     10       7.8595     -0.00000
     11       8.5321     -0.00000
     12       9.0662      0.00000
     13       9.4294      0.00000
     14       9.8121      0.00000
     15      10.2819      0.00000
     16      10.5373      0.00000

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

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

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

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

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3526     -0.00000
     10       6.4798     -0.00000
     11       7.1250     -0.00000
     12       7.8020     -0.00000
     13       8.1602      0.00000
     14       9.1109      0.00000
     15       9.8618      0.00000
     16       9.9582      0.00000

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

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6695     -0.00000
      9       5.3525     -0.00000
     10       6.4798     -0.00000
     11       7.1237     -0.00000
     12       7.8127     -0.00000
     13       8.1528      0.00000
     14       9.2024      0.00000
     15       9.8614      0.00000
     16       9.8627      0.00000

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

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5141      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3048      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00795
      9       3.4918     -0.01855
     10       5.2151     -0.00000
     11       5.9153     -0.00000
     12       7.3326     -0.00000
     13       8.7249      0.00000
     14       8.8026      0.00000
     15       8.9309      0.00000
     16       8.9768      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3049      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9292      1.00000
      8       2.9752      1.00793
      9       3.4918     -0.01855
     10       5.2151     -0.00000
     11       5.9151     -0.00000
     12       7.3326     -0.00000
     13       8.2779      0.00000
     14       8.7927      0.00000
     15       8.9196      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       8.3654      0.00000
     14       8.6674      0.00000
     15       8.9667      0.00000
     16       9.1441      0.00000

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

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

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

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6239      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0278     -0.00000
     13       7.5180      0.00000
     14       8.6759      0.00000
     15       8.8951      0.00000
     16       9.4670      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00214
     10       4.7304     -0.00000
     11       4.9223     -0.00000
     12       7.0277     -0.00000
     13       7.7947      0.00000
     14       7.8024      0.00000
     15       8.7719      0.00000
     16      10.1650      0.00000

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

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6239      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9225     -0.00000
     12       7.0278     -0.00000
     13       7.7492      0.00000
     14       7.7963      0.00000
     15       9.0877      0.00000
     16       9.4686      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0276     -0.00000
     13       7.5681      0.00000
     14       8.0186      0.00000
     15       9.3724      0.00000
     16       9.7954      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       8.7545      0.00000
     16       9.9846      0.00000

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

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

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

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

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

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

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

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59458
      8       4.0441     -0.00000
      9       5.0822     -0.00000
     10       5.3220     -0.00000
     11       5.8871     -0.00000
     12       6.4466     -0.00000
     13       7.1386      0.00000
     14       7.8400      0.00000
     15       8.3920      0.00000
     16       8.6477      0.00000

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6588      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7438      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1784      0.38370
     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    408.3564: real time    411.2560
    FORNL :  cpu time      0.4955: real time      0.5008
    FORCOR:  cpu time      1.9663: real time      1.9768
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.403E-04 -.513E-04 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.108E-03 0.538E-04 -.126E+01
   0.743E-05 0.220E-03 0.913E+02   -.299E-14 0.229E-14 -.913E+02   0.388E-04 -.198E-03 0.194E+00
   -.284E-03 -.225E-03 0.104E-02   -.135E-12 -.815E-13 0.581E-11   0.303E-03 0.239E-03 -.154E-02
   0.399E-04 0.214E-03 -.913E+02   0.132E-12 0.810E-13 0.913E+02   -.712E-04 -.234E-03 -.195E+00
   -.278E-03 0.505E-04 -.183E+03   -.476E-13 -.263E-13 0.182E+03   0.292E-03 -.597E-04 0.126E+01
 -----------------------------------------------------------------------------------------------
   -.497E-03 0.220E-03 0.118E-02   -.971E-14 0.313E-14 -.568E-13   0.454E-03 -.199E-03 -.170E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000061     -0.000000     -0.138686
      0.00000      0.00000      2.33311         0.000050      0.000022      0.146685
      1.42873      0.82488      4.66621         0.000019      0.000007     -0.000298
      2.85746      1.64976      6.99932        -0.000023     -0.000018     -0.146145
      0.00000      0.00000      9.33242         0.000016     -0.000011      0.138444
 -----------------------------------------------------------------------------------
    total drift:                               -0.000031      0.000013     -0.000586


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



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

  energy  without entropy=      -13.89414199  energy(sigma->0) =      -13.89702558
 


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


    POTLOK:  cpu time      1.9699: real time      1.9809


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


 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      1.2618: real time      1.4513
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9689: real time      1.9799
    EDDIAG:  cpu time    569.3951: real time    574.1580
    CHARGE:  cpu time      0.2648: real time      0.2668
 writing wavefunctions
     LOOP+:  cpu time  17734.8485: real time  17883.8061


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


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    573.7363: real time    578.4129
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    575.9692: real time    580.6595

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7319261E-03  (-0.1962594E-02)
 number of electron      15.0000000 magnetization      -0.0000589
 augmentation part       -0.0007061 magnetization      -0.0000016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -704.36306082
  -exchange      EXHF   =        33.29950798
  -V(xc)+E(xc)   XCENC  =       -83.53632852
  PAW double counting   =    100933.10507846  -100832.14788618
  entropy T*S    EENTRO =        -0.00466521
  eigenvalues    EBANDS =       -34.88165214
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89772662 eV

  energy without entropy =      -13.89306141  energy(sigma->0) =      -13.89617155
  exchange ACFDT corr.  =        -0.00504187  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7278
    SETDIJ:  cpu time      1.2314: real time      1.2365
    TRIAL :  cpu time    574.0885: real time    578.7723
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    576.3113: real time    581.0076

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1011966E-02  (-0.1433384E-02)
 number of electron      15.0000000 magnetization      -0.0000587
 augmentation part       -0.0007062 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.83623623
  -exchange      EXHF   =        33.29664327
  -V(xc)+E(xc)   XCENC  =       -83.53738585
  PAW double counting   =    100923.23715952  -100822.27991483
  entropy T*S    EENTRO =        -0.00466698
  eigenvalues    EBANDS =       -35.40563304
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89873859 eV

  energy without entropy =      -13.89407161  energy(sigma->0) =      -13.89718293
  exchange ACFDT corr.  =        -0.00501948  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7272
    SETDIJ:  cpu time      1.2310: real time      1.2361
    TRIAL :  cpu time    573.5133: real time    578.1635
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    575.7364: real time    580.3992

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8318359E-03  (-0.4041721E-03)
 number of electron      15.0000000 magnetization      -0.0000584
 augmentation part       -0.0007114 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.56383169
  -exchange      EXHF   =        33.29443866
  -V(xc)+E(xc)   XCENC  =       -83.53821290
  PAW double counting   =    100916.24208713  -100815.28475526
  entropy T*S    EENTRO =        -0.00468679
  eigenvalues    EBANDS =       -35.67592316
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89957043 eV

  energy without entropy =      -13.89488363  energy(sigma->0) =      -13.89800816
  exchange ACFDT corr.  =        -0.00501053  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7218: real time      0.7274
    SETDIJ:  cpu time      1.2320: real time      1.2370
    TRIAL :  cpu time    574.1440: real time    578.7978
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    576.3680: real time    581.0344

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2511717E-03  (-0.2586867E-03)
 number of electron      15.0000000 magnetization      -0.0000578
 augmentation part       -0.0007187 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.63356581
  -exchange      EXHF   =        33.29399935
  -V(xc)+E(xc)   XCENC  =       -83.53842303
  PAW double counting   =    100914.01672732  -100813.05946672
  entropy T*S    EENTRO =        -0.00470244
  eigenvalues    EBANDS =       -35.60569969
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89982160 eV

  energy without entropy =      -13.89511916  energy(sigma->0) =      -13.89825412
  exchange ACFDT corr.  =        -0.00502183  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2314: real time      1.2364
    TRIAL :  cpu time    574.4179: real time    579.0652
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    576.6414: real time    581.3013

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1134286E-03  (-0.1881141E-03)
 number of electron      15.0000000 magnetization      -0.0000565
 augmentation part       -0.0007246 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.72932661
  -exchange      EXHF   =        33.29446099
  -V(xc)+E(xc)   XCENC  =       -83.53830908
  PAW double counting   =    100913.51334403  -100812.55619228
  entropy T*S    EENTRO =        -0.00470725
  eigenvalues    EBANDS =       -35.51050341
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89993503 eV

  energy without entropy =      -13.89522777  energy(sigma->0) =      -13.89836594
  exchange ACFDT corr.  =        -0.00503588  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7222: real time      0.7275
    SETDIJ:  cpu time      1.2304: real time      1.2355
    TRIAL :  cpu time    573.1930: real time    577.8525
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    575.4152: real time    580.0872

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1171210E-03  (-0.6480619E-04)
 number of electron      15.0000000 magnetization      -0.0000551
 augmentation part       -0.0007282 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.72706827
  -exchange      EXHF   =        33.29502132
  -V(xc)+E(xc)   XCENC  =       -83.53814633
  PAW double counting   =    100914.37736211  -100813.42031007
  entropy T*S    EENTRO =        -0.00471148
  eigenvalues    EBANDS =       -35.51349742
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90005215 eV

  energy without entropy =      -13.89534067  energy(sigma->0) =      -13.89848166
  exchange ACFDT corr.  =        -0.00504426  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7277
    SETDIJ:  cpu time      1.2306: real time      1.2357
    TRIAL :  cpu time    572.6902: real time    577.3142
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    574.9129: real time    579.5494

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4318674E-04  (-0.4593712E-04)
 number of electron      15.0000000 magnetization      -0.0000535
 augmentation part       -0.0007291 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.71711799
  -exchange      EXHF   =        33.29550977
  -V(xc)+E(xc)   XCENC  =       -83.53799057
  PAW double counting   =    100916.38589162  -100815.42880978
  entropy T*S    EENTRO =        -0.00471982
  eigenvalues    EBANDS =       -35.52416069
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90009533 eV

  energy without entropy =      -13.89537551  energy(sigma->0) =      -13.89852206
  exchange ACFDT corr.  =        -0.00505208  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7218: real time      0.7273
    SETDIJ:  cpu time      1.2310: real time      1.2361
    TRIAL :  cpu time    571.4268: real time    576.0536
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    573.6494: real time    578.2887

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2334252E-04  (-0.2768757E-04)
 number of electron      15.0000000 magnetization      -0.0000519
 augmentation part       -0.0007279 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.75537706
  -exchange      EXHF   =        33.29590303
  -V(xc)+E(xc)   XCENC  =       -83.53785565
  PAW double counting   =    100920.61085085  -100819.65378312
  entropy T*S    EENTRO =        -0.00472826
  eigenvalues    EBANDS =       -35.48643068
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90011868 eV

  energy without entropy =      -13.89539042  energy(sigma->0) =      -13.89854259
  exchange ACFDT corr.  =        -0.00506165  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2312: real time      1.2363
    TRIAL :  cpu time    572.7305: real time    577.3900
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    574.9538: real time    579.6259

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1810164E-04  (-0.1169980E-04)
 number of electron      15.0000000 magnetization      -0.0000503
 augmentation part       -0.0007257 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.79313550
  -exchange      EXHF   =        33.29606662
  -V(xc)+E(xc)   XCENC  =       -83.53779787
  PAW double counting   =    100925.69578885  -100824.73875098
  entropy T*S    EENTRO =        -0.00473393
  eigenvalues    EBANDS =       -35.44887339
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90013678 eV

  energy without entropy =      -13.89540285  energy(sigma->0) =      -13.89855880
  exchange ACFDT corr.  =        -0.00506968  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7219: real time      0.7273
    SETDIJ:  cpu time      1.2329: real time      1.2384
    TRIAL :  cpu time    574.5583: real time    579.2243
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    572.5432: real time    577.2499
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time   1149.3256: real time   1158.7114

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8895266E-05  (-0.9540293E-05)
 number of electron      15.0000000 magnetization      -0.0000488
 augmentation part       -0.0007231 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.04990953
  -Hartree energ DENC   =      -703.78653403
  -exchange      EXHF   =        33.29583192
  -V(xc)+E(xc)   XCENC  =       -83.53782765
  PAW double counting   =    100930.40578655  -100829.44873490
  entropy T*S    EENTRO =        -0.00473778
  eigenvalues    EBANDS =       -35.45537929
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90014567 eV

  energy without entropy =      -13.89540790  energy(sigma->0) =      -13.89856641
  exchange ACFDT corr.  =        -0.00507446  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0334


 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:         3.1519653465

 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      16.7825      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      13.9638      0.00000
     16      14.4921      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      14.4857      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      11.7255      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      11.4703      0.00000
     14      11.8823      0.00000
     15      11.9947      0.00000
     16      12.7021      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      11.5419      0.00000
     14      11.8889      0.00000
     15      11.9752      0.00000
     16      12.7676      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      11.8978      0.00000
     15      12.0022      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      0.81762
      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       9.4305      0.00000
     14       9.8113      0.00000
     15      10.1822      0.00000
     16      10.6912      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       9.8090      0.00000
     15      10.1831      0.00000
     16      10.7074      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      10.7292      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      10.1863      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       9.8136      0.00000
     15      10.1845      0.00000
     16      10.6889      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       9.6955      0.00000
     16      10.2508      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       9.9153      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      10.2989      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       9.6687      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       9.7029      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       8.9436      0.00000
     15      10.0612      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       9.7744      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       8.8269      0.00000
     16       9.8510      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       8.8946      0.00000
     16       9.9210      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       9.7549      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       9.7480      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      10.4636      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       9.0006      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      0.59522
      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       8.7681      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       8.4287     -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:         3.1519653465

 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      16.1020      0.00000
     15      16.4552      0.00000
     16      16.9141      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      14.4044      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      14.4287      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      12.5340      0.00000
     16      12.9675      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      10.5394      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      11.8852      0.00000
     15      12.0169      0.00000
     16      12.6694      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       9.8135      0.00000
     15      10.2487      0.00000
     16      10.7127      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      0.81789
      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      10.6924      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       8.9962      0.00000
     15       9.6178      0.00000
     16      10.2002      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       9.0057      0.00000
     15       9.6931      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       9.6730      0.00000
     16      10.2662      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      10.2219      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       9.3484      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       9.2202      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       8.8618      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       9.8096      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       8.8109      0.00000
     16       9.8423      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       8.7694      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      0.59522
      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       7.0155     -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      0.59528
      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       7.8916     -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       8.8345      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      0.38972
     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      0.39010
     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       4.1236     -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
115.813 -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      0.0018: real time      0.0018
    FORHF :  cpu time    418.6844: real time    421.6051
    FORNL :  cpu time      0.4942: real time      0.4996
    FORCOR:  cpu time      1.9615: real time      1.9725
    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
 -----------------------------------------------------------------------------------------------
   0.215E-04 0.132E-04 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.275E-04 -.145E-04 -.125E+01
   0.104E-04 0.206E-04 0.913E+02   -.290E-14 0.233E-14 -.913E+02   -.961E-05 -.188E-04 0.200E+00
   -.160E-04 -.784E-05 0.490E-02   -.142E-12 -.808E-13 0.116E-01   0.171E-04 0.222E-05 -.322E-01
   0.240E-04 -.159E-04 -.917E+02   0.138E-12 0.833E-13 0.917E+02   -.209E-04 0.192E-04 -.919E-01
   -.621E-05 -.789E-05 -.182E+03   -.463E-13 -.293E-13 0.181E+03   0.866E-05 0.110E-04 0.118E+01
 -----------------------------------------------------------------------------------------------
   0.361E-04 0.250E-05 -.844E-03   -.971E-14 0.313E-14 -.568E-13   -.323E-04 -.963E-06 0.879E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000006     -0.000001     -0.138329
      0.00000      0.00000      2.33311         0.000000      0.000002      0.147727
      1.42873      0.82488      4.66621         0.000001     -0.000006     -0.016491
      2.85746      1.64976      6.99227         0.000003      0.000003     -0.087009
      0.00000      0.00000      9.33910         0.000002      0.000002      0.094101
 -----------------------------------------------------------------------------------
    total drift:                                0.000003      0.000001      0.008337


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90014567 eV

  energy  without entropy=      -13.89540790  energy(sigma->0) =      -13.89856641
 
 d Force = 0.1598490E-02[ 0.124E-02, 0.196E-02]  d Energy = 0.1678301E-02-0.798E-04
 d Force = 0.5675344E+00[ 0.565E+00, 0.570E+00]  d Ewald  = 0.5675354E+00-0.102E-05


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


    POTLOK:  cpu time      1.9665: real time      1.9773


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.792E-03   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.7055
 eigenvalue spectrum of G is  2.7055


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


    WAVPRE:  cpu time      0.0060: real time      0.0779
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9660: real time      1.9772
    EDDIAG:  cpu time    570.6041: real time    575.1777
    CHARGE:  cpu time      0.2638: real time      0.2657
 writing wavefunctions
     LOOP+:  cpu time   7326.2482: real time   7385.8076


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


    POTLOK:  cpu time      0.7212: real time      0.7271
    SETDIJ:  cpu time      1.2317: real time      1.2367
    TRIAL :  cpu time    574.1256: real time    578.8124
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    576.3552: real time    581.0606

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6963903E-02  (-0.1075769E-01)
 number of electron      15.0000000 magnetization      -0.0000433
 augmentation part       -0.0008677 magnetization      -0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -703.80897532
  -exchange      EXHF   =        33.28909092
  -V(xc)+E(xc)   XCENC  =       -83.54007201
  PAW double counting   =    100819.14504788  -100718.18717295
  entropy T*S    EENTRO =        -0.00531024
  eigenvalues    EBANDS =       -34.23809627
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89317287 eV

  energy without entropy =      -13.88786263  energy(sigma->0) =      -13.89140279
  exchange ACFDT corr.  =        -0.00535322  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7216: real time      0.7271
    SETDIJ:  cpu time      1.2305: real time      1.2360
    TRIAL :  cpu time    573.2579: real time    577.9404
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    575.4797: real time    580.1752

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2643476E-02  (-0.8124797E-02)
 number of electron      15.0000000 magnetization      -0.0000449
 augmentation part       -0.0008585 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.77610237
  -exchange      EXHF   =        33.28376351
  -V(xc)+E(xc)   XCENC  =       -83.54202569
  PAW double counting   =    100799.70005415  -100698.74198750
  entropy T*S    EENTRO =        -0.00530614
  eigenvalues    EBANDS =       -35.26653244
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89581635 eV

  energy without entropy =      -13.89051021  energy(sigma->0) =      -13.89404764
  exchange ACFDT corr.  =        -0.00619484  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7277
    SETDIJ:  cpu time      1.2307: real time      1.2357
    TRIAL :  cpu time    574.3598: real time    579.0185
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    576.5827: real time    581.2538

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3893560E-02  (-0.1168181E-02)
 number of electron      15.0000000 magnetization      -0.0000462
 augmentation part       -0.0008581 magnetization       0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.29178245
  -exchange      EXHF   =        33.27997045
  -V(xc)+E(xc)   XCENC  =       -83.54344502
  PAW double counting   =    100791.21107669  -100690.25291617
  entropy T*S    EENTRO =        -0.00534134
  eigenvalues    EBANDS =       -35.74963151
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89970991 eV

  energy without entropy =      -13.89436857  energy(sigma->0) =      -13.89792947
  exchange ACFDT corr.  =        -0.00529188  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7229: real time      0.7285
    SETDIJ:  cpu time      1.2310: real time      1.2365
    TRIAL :  cpu time    572.8460: real time    577.5037
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2646: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    575.0690: real time    579.7398

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6821066E-03  (-0.1526655E-02)
 number of electron      15.0000000 magnetization      -0.0000465
 augmentation part       -0.0008621 magnetization       0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.45811299
  -exchange      EXHF   =        33.27930540
  -V(xc)+E(xc)   XCENC  =       -83.54375320
  PAW double counting   =    100793.06325459  -100692.10518347
  entropy T*S    EENTRO =        -0.00536410
  eigenvalues    EBANDS =       -35.58288524
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90039202 eV

  energy without entropy =      -13.89502792  energy(sigma->0) =      -13.89860399
  exchange ACFDT corr.  =        -0.00531435  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7227: real time      0.7280
    SETDIJ:  cpu time      1.2304: real time      1.2361
    TRIAL :  cpu time    573.3258: real time    577.9860
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.5492: real time    580.2224

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3113020E-03  (-0.1075454E-02)
 number of electron      15.0000000 magnetization      -0.0000458
 augmentation part       -0.0008645 magnetization       0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.63569406
  -exchange      EXHF   =        33.28003397
  -V(xc)+E(xc)   XCENC  =       -83.54355502
  PAW double counting   =    100799.37215024  -100698.41421869
  entropy T*S    EENTRO =        -0.00535119
  eigenvalues    EBANDS =       -35.40637990
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90070332 eV

  energy without entropy =      -13.89535213  energy(sigma->0) =      -13.89891959
  exchange ACFDT corr.  =        -0.00533494  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7216: real time      0.7274
    SETDIJ:  cpu time      1.2302: real time      1.2353
    TRIAL :  cpu time    573.6310: real time    578.3143
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    575.8530: real time    580.5492

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5641454E-03  (-0.1876001E-03)
 number of electron      15.0000000 magnetization      -0.0000447
 augmentation part       -0.0008632 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.61770952
  -exchange      EXHF   =        33.28088947
  -V(xc)+E(xc)   XCENC  =       -83.54330289
  PAW double counting   =    100810.02529773  -100709.06747960
  entropy T*S    EENTRO =        -0.00534109
  eigenvalues    EBANDS =       -35.42593570
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90126746 eV

  energy without entropy =      -13.89592637  energy(sigma->0) =      -13.89948710
  exchange ACFDT corr.  =        -0.00533525  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7219: real time      0.7275
    SETDIJ:  cpu time      1.2312: real time      1.2367
    TRIAL :  cpu time    575.0486: real time    579.7372
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    577.2717: real time    581.9732

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1110436E-03  (-0.2650907E-03)
 number of electron      15.0000000 magnetization      -0.0000435
 augmentation part       -0.0008586 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.58355321
  -exchange      EXHF   =        33.28162102
  -V(xc)+E(xc)   XCENC  =       -83.54306136
  PAW double counting   =    100824.53183417  -100723.57407542
  entropy T*S    EENTRO =        -0.00534691
  eigenvalues    EBANDS =       -35.46112683
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90137851 eV

  energy without entropy =      -13.89603160  energy(sigma->0) =      -13.89959620
  exchange ACFDT corr.  =        -0.00533729  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7277
    SETDIJ:  cpu time      1.2279: real time      1.2333
    TRIAL :  cpu time    573.2078: real time    577.8383
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.4275: real time    580.0707

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7802571E-04  (-0.1468961E-03)
 number of electron      15.0000000 magnetization      -0.0000421
 augmentation part       -0.0008519 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.65174475
  -exchange      EXHF   =        33.28225802
  -V(xc)+E(xc)   XCENC  =       -83.54283016
  PAW double counting   =    100842.02533640  -100741.06767102
  entropy T*S    EENTRO =        -0.00535319
  eigenvalues    EBANDS =       -35.39378234
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90145653 eV

  energy without entropy =      -13.89610334  energy(sigma->0) =      -13.89967214
  exchange ACFDT corr.  =        -0.00534784  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7218: real time      0.7277
    SETDIJ:  cpu time      1.2289: real time      1.2337
    TRIAL :  cpu time    573.5960: real time    578.2440
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    575.8170: real time    580.4778

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8226672E-04  (-0.3284324E-04)
 number of electron      15.0000000 magnetization      -0.0000408
 augmentation part       -0.0008437 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.73054850
  -exchange      EXHF   =        33.28256033
  -V(xc)+E(xc)   XCENC  =       -83.54271388
  PAW double counting   =    100859.45104445  -100758.49329546
  entropy T*S    EENTRO =        -0.00535625
  eigenvalues    EBANDS =       -35.31555679
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90153880 eV

  energy without entropy =      -13.89618255  energy(sigma->0) =      -13.89975338
  exchange ACFDT corr.  =        -0.00535554  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7275
    SETDIJ:  cpu time      1.2279: real time      1.2333
    TRIAL :  cpu time    575.4493: real time    580.1251
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    577.6690: real time    582.3578

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2162937E-04  (-0.4807607E-04)
 number of electron      15.0000000 magnetization      -0.0000395
 augmentation part       -0.0008359 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.72021439
  -exchange      EXHF   =        33.28239994
  -V(xc)+E(xc)   XCENC  =       -83.54276308
  PAW double counting   =    100875.21713316  -100774.25936180
  entropy T*S    EENTRO =        -0.00535759
  eigenvalues    EBANDS =       -35.32572225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90156043 eV

  energy without entropy =      -13.89620284  energy(sigma->0) =      -13.89977457
  exchange ACFDT corr.  =        -0.00535845  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7225: real time      0.7279
    SETDIJ:  cpu time      1.2286: real time      1.2342
    TRIAL :  cpu time    573.3403: real time    577.9982
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.5616: real time    580.2324

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1836556E-04  (-0.2125553E-04)
 number of electron      15.0000000 magnetization      -0.0000383
 augmentation part       -0.0008294 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.66523537
  -exchange      EXHF   =        33.28208723
  -V(xc)+E(xc)   XCENC  =       -83.54286945
  PAW double counting   =    100888.64476734  -100787.68699447
  entropy T*S    EENTRO =        -0.00535849
  eigenvalues    EBANDS =       -35.38030073
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90157880 eV

  energy without entropy =      -13.89622030  energy(sigma->0) =      -13.89979263
  exchange ACFDT corr.  =        -0.00535923  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7276
    SETDIJ:  cpu time      1.2344: real time      1.2396
    TRIAL :  cpu time    573.6220: real time    578.2532
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    575.8477: real time    580.4919

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1295590E-04  (-0.5804628E-05)
 number of electron      15.0000000 magnetization      -0.0000371
 augmentation part       -0.0008244 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.64509513
  -exchange      EXHF   =        33.28195220
  -V(xc)+E(xc)   XCENC  =       -83.54291889
  PAW double counting   =    100900.38887907  -100799.43108217
  entropy T*S    EENTRO =        -0.00536123
  eigenvalues    EBANDS =       -35.40029258
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90159175 eV

  energy without entropy =      -13.89623053  energy(sigma->0) =      -13.89980468
  exchange ACFDT corr.  =        -0.00536003  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2287: real time      1.2339
    TRIAL :  cpu time    573.6783: real time    578.3031
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    571.1397: real time    575.7844
    CHARGE:  cpu time      0.2646: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time   1147.0385: real time   1156.3206

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3517314E-05  (-0.6873920E-05)
 number of electron      15.0000000 magnetization      -0.0000359
 augmentation part       -0.0008206 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.87093999
  -Hartree energ DENC   =      -702.66023264
  -exchange      EXHF   =        33.28205916
  -V(xc)+E(xc)   XCENC  =       -83.54291000
  PAW double counting   =    100910.66902376  -100809.71123511
  entropy T*S    EENTRO =        -0.00536407
  eigenvalues    EBANDS =       -35.38519429
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90159527 eV

  energy without entropy =      -13.89623120  energy(sigma->0) =      -13.89980725
  exchange ACFDT corr.  =        -0.00536260  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9903


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8798       2 -69.7731       3 -69.7800       4 -69.7889       5 -69.9150
 
 
 
 E-fermi :   3.1530     XC(G=0):  -5.1177     alpha+bet : -8.9779

 Fermi energy:         3.1529968456

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8982      1.00000
      2     -10.0083      1.00000
      3      -8.6322      1.00000
      4      -6.7546      1.00000
      5      -4.3265      1.00000
      6      -1.5881      1.00000
      7       1.6320      1.00000
      8       4.6440     -0.00000
      9       5.4161     -0.00000
     10       7.9312     -0.00000
     11       7.9972     -0.00000
     12      11.8947      0.00000
     13      12.1907      0.00000
     14      16.0678      0.00000
     15      16.3138      0.00000
     16      16.6222      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6897      1.00000
      2      -9.7993      1.00000
      3      -8.4221      1.00000
      4      -6.5428      1.00000
      5      -4.1105      1.00000
      6      -1.3780      1.00000
      7       1.8456      1.00000
      8       4.8267     -0.00000
      9       5.5904     -0.00000
     10       8.0991     -0.00000
     11       8.1621     -0.00000
     12      12.0220      0.00000
     13      12.2869      0.00000
     14      13.1144      0.00000
     15      13.8917      0.00000
     16      14.4108      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6897      1.00000
      2      -9.7993      1.00000
      3      -8.4221      1.00000
      4      -6.5428      1.00000
      5      -4.1105      1.00000
      6      -1.3780      1.00000
      7       1.8456      1.00000
      8       4.8267     -0.00000
      9       5.5904     -0.00000
     10       8.0991     -0.00000
     11       8.1621     -0.00000
     12      12.0220      0.00000
     13      12.2867      0.00000
     14      13.1144      0.00000
     15      13.8392      0.00000
     16      14.5945      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6897      1.00000
      2      -9.7993      1.00000
      3      -8.4221      1.00000
      4      -6.5428      1.00000
      5      -4.1105      1.00000
      6      -1.3780      1.00000
      7       1.8456      1.00000
      8       4.8267     -0.00000
      9       5.5904     -0.00000
     10       8.0991     -0.00000
     11       8.1621     -0.00000
     12      12.0219      0.00000
     13      12.2869      0.00000
     14      13.1144      0.00000
     15      13.8446      0.00000
     16      14.4057      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0642      1.00000
      2      -9.1720      1.00000
      3      -7.7916      1.00000
      4      -5.9073      1.00000
      5      -3.4637      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3576     -0.00000
      9       6.1082     -0.00000
     10       8.4823     -0.00000
     11       8.6326      0.00000
     12       9.7257      0.00000
     13      10.2550      0.00000
     14      11.3643      0.00000
     15      12.5108      0.00000
     16      12.7802      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0642      1.00000
      2      -9.1720      1.00000
      3      -7.7916      1.00000
      4      -5.9073      1.00000
      5      -3.4637      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3576     -0.00000
      9       6.1082     -0.00000
     10       8.4824     -0.00000
     11       8.6326      0.00000
     12       9.7257      0.00000
     13      10.2550      0.00000
     14      11.3643      0.00000
     15      12.5161      0.00000
     16      12.8293      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0642      1.00000
      2      -9.1720      1.00000
      3      -7.7916      1.00000
      4      -5.9073      1.00000
      5      -3.4637      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3576     -0.00000
      9       6.1082     -0.00000
     10       8.4823     -0.00000
     11       8.6326      0.00000
     12       9.7257      0.00000
     13      10.2556      0.00000
     14      11.3645      0.00000
     15      12.5155      0.00000
     16      12.9175      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1255      1.00000
      3      -6.7396      1.00000
      4      -4.8481      1.00000
      5      -2.3920      1.00000
      6       0.2884      1.00000
      7       3.4272     -0.03278
      8       5.6436     -0.00000
      9       6.5479     -0.00000
     10       6.8514     -0.00000
     11       7.0543     -0.00000
     12       8.0524     -0.00000
     13       9.4079      0.00000
     14       9.5873      0.00000
     15       9.8092      0.00000
     16      11.5967      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1255      1.00000
      3      -6.7396      1.00000
      4      -4.8481      1.00000
      5      -2.3920      1.00000
      6       0.2884      1.00000
      7       3.4272     -0.03278
      8       5.6436     -0.00000
      9       6.5479     -0.00000
     10       6.8514     -0.00000
     11       7.0543     -0.00000
     12       8.0524     -0.00000
     13       9.4079      0.00000
     14       9.5871      0.00000
     15       9.8093      0.00000
     16      11.6204      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1255      1.00000
      3      -6.7396      1.00000
      4      -4.8481      1.00000
      5      -2.3920      1.00000
      6       0.2884      1.00000
      7       3.4272     -0.03278
      8       5.6436     -0.00000
      9       6.5479     -0.00000
     10       6.8514     -0.00000
     11       7.0543     -0.00000
     12       8.0524     -0.00000
     13       9.4079      0.00000
     14       9.5871      0.00000
     15       9.8094      0.00000
     16      11.7034      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6574      1.00000
      3      -5.2646      1.00000
      4      -3.3693      1.00000
      5      -0.9267      1.00000
      6       1.5755      1.00000
      7       2.5409      1.00007
      8       3.5068     -0.01554
      9       4.7889     -0.00000
     10       5.1416     -0.00000
     11       6.5285     -0.00000
     12       7.6645     -0.00000
     13       8.2167     -0.00000
     14       8.7178      0.00000
     15      10.5246      0.00000
     16      10.8409      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6574      1.00000
      3      -5.2646      1.00000
      4      -3.3693      1.00000
      5      -0.9267      1.00000
      6       1.5755      1.00000
      7       2.5409      1.00007
      8       3.5068     -0.01554
      9       4.7889     -0.00000
     10       5.1416     -0.00000
     11       6.5285     -0.00000
     12       7.6645     -0.00000
     13       8.2168     -0.00000
     14       8.7179      0.00000
     15      10.5275      0.00000
     16      10.8401      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6574      1.00000
      3      -5.2646      1.00000
      4      -3.3693      1.00000
      5      -0.9267      1.00000
      6       1.5755      1.00000
      7       2.5409      1.00007
      8       3.5068     -0.01554
      9       4.7889     -0.00000
     10       5.1416     -0.00000
     11       6.5285     -0.00000
     12       7.6645     -0.00000
     13       8.2167     -0.00000
     14       8.7178      0.00000
     15      10.5240      0.00000
     16      10.8389      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7653      1.00000
      3      -3.3716      1.00000
      4      -1.5176      1.00000
      5      -0.6744      1.00000
      6       0.1003      1.00000
      7       1.1124      1.00000
      8       2.0089      1.00000
      9       3.6512     -0.00119
     10       3.7467     -0.00011
     11       5.9410     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2111      0.00000
     15       9.7571      0.00000
     16      10.6621      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7653      1.00000
      3      -3.3716      1.00000
      4      -1.5176      1.00000
      5      -0.6744      1.00000
      6       0.1003      1.00000
      7       1.1124      1.00000
      8       2.0088      1.00000
      9       3.6512     -0.00119
     10       3.7467     -0.00011
     11       5.9410     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2070      0.00000
     15       9.7570      0.00000
     16      10.4197      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7653      1.00000
      3      -3.3716      1.00000
      4      -1.5176      1.00000
      5      -0.6744      1.00000
      6       0.1003      1.00000
      7       1.1124      1.00000
      8       2.0089      1.00000
      9       3.6512     -0.00119
     10       3.7467     -0.00011
     11       5.9410     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2081      0.00000
     15       9.7565      0.00000
     16      10.5285      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3744      1.00000
      2      -3.3520      1.00000
      3      -2.4711      1.00000
      4      -2.4531      1.00000
      5      -1.3105      1.00000
      6      -0.9135      1.00000
      7       0.6433      1.00000
      8       1.3874      1.00000
      9       3.3935     -0.03539
     10       3.5318     -0.01103
     11       5.6774     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8693      0.00000
     15      10.3420      0.00000
     16      10.5668      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3744      1.00000
      2      -3.3520      1.00000
      3      -2.4711      1.00000
      4      -2.4531      1.00000
      5      -1.3105      1.00000
      6      -0.9135      1.00000
      7       0.6433      1.00000
      8       1.3874      1.00000
      9       3.3935     -0.03539
     10       3.5318     -0.01103
     11       5.6774     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8692      0.00000
     15      10.3476      0.00000
     16      10.7770      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3744      1.00000
      2      -3.3520      1.00000
      3      -2.4711      1.00000
      4      -2.4531      1.00000
      5      -1.3105      1.00000
      6      -0.9135      1.00000
      7       0.6433      1.00000
      8       1.3874      1.00000
      9       3.3935     -0.03539
     10       3.5318     -0.01103
     11       5.6774     -0.00000
     12       6.0189     -0.00000
     13       8.4166     -0.00000
     14       8.8688      0.00000
     15      10.2606      0.00000
     16      10.5978      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2727      1.00000
      2      -9.3811      1.00000
      3      -8.0018      1.00000
      4      -6.1191      1.00000
      5      -3.6791      1.00000
      6      -0.9583      1.00000
      7       2.2658      1.00000
      8       5.1854     -0.00000
      9       5.9370     -0.00000
     10       8.4235     -0.00000
     11       8.4698     -0.00000
     12      11.4278      0.00000
     13      11.4520      0.00000
     14      11.8827      0.00000
     15      12.0060      0.00000
     16      12.6856      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2727      1.00000
      2      -9.3811      1.00000
      3      -8.0018      1.00000
      4      -6.1191      1.00000
      5      -3.6791      1.00000
      6      -0.9583      1.00000
      7       2.2658      1.00000
      8       5.1854     -0.00000
      9       5.9370     -0.00000
     10       8.4235     -0.00000
     11       8.4698     -0.00000
     12      11.4262      0.00000
     13      11.4821      0.00000
     14      11.8888      0.00000
     15      11.9978      0.00000
     16      12.7314      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2727      1.00000
      2      -9.3811      1.00000
      3      -8.0018      1.00000
      4      -6.1191      1.00000
      5      -3.6791      1.00000
      6      -0.9583      1.00000
      7       2.2658      1.00000
      8       5.1854     -0.00000
      9       5.9370     -0.00000
     10       8.4235     -0.00000
     11       8.4698     -0.00000
     12      11.4271      0.00000
     13      11.4428      0.00000
     14      11.8922      0.00000
     15      12.0135      0.00000
     16      12.6727      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81873
      8       5.8349     -0.00000
      9       6.6053     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4246      0.00000
     14       9.8231      0.00000
     15      10.1792      0.00000
     16      10.7072      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81873
      8       5.8349     -0.00000
      9       6.6053     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4248      0.00000
     14       9.8228      0.00000
     15      10.1777      0.00000
     16      10.7083      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81873
      8       5.8349     -0.00000
      9       6.6053     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4246      0.00000
     14       9.8229      0.00000
     15      10.1791      0.00000
     16      10.7141      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81873
      8       5.8349     -0.00000
      9       6.6053     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4247      0.00000
     14       9.8232      0.00000
     15      10.1783      0.00000
     16      10.7067      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81873
      8       5.8349     -0.00000
      9       6.6053     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4250      0.00000
     14       9.8232      0.00000
     15      10.1813      0.00000
     16      10.7075      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81873
      8       5.8349     -0.00000
      9       6.6053     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4246      0.00000
     14       9.8243      0.00000
     15      10.1785      0.00000
     16      10.7030      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0018      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6791     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9045      0.00000
     15       9.6417      0.00000
     16      10.2372      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0018      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9411      0.00000
     15       9.7967      0.00000
     16      10.1533      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0018      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6791     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9271      0.00000
     15       9.6901      0.00000
     16      10.2848      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0018      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6791     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9675      0.00000
     15       9.6214      0.00000
     16      10.2806      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0018      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6791     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9179      0.00000
     15       9.6258      0.00000
     16      10.1971      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0018      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9201      0.00000
     15      10.0341      0.00000
     16      10.2637      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9833      1.00110
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9782     -0.00000
     14       8.6754      0.00000
     15       9.1032      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      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00113
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9809     -0.00000
     14       8.6683      0.00000
     15       9.1059      0.00000
     16       9.1315      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9833      1.00110
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9796     -0.00000
     14       8.6594      0.00000
     15       9.1031      0.00000
     16       9.1153      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9833      1.00110
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9781     -0.00000
     14       8.6618      0.00000
     15       9.1068      0.00000
     16       9.1195      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9833      1.00110
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9782     -0.00000
     14       8.6783      0.00000
     15       9.1059      0.00000
     16       9.1650      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00113
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9791     -0.00000
     14       8.6621      0.00000
     15       9.1082      0.00000
     16       9.1173      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6350      1.00000
      8       2.2949      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0157     -0.00000
     15       8.8279      0.00000
     16       9.7190      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6350      1.00000
      8       2.2948      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0261     -0.00000
     13       7.4900     -0.00000
     14       8.0157     -0.00000
     15       8.8272      0.00000
     16       9.7787      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6350      1.00000
      8       2.2949      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0155     -0.00000
     15       8.8642      0.00000
     16       9.8534      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6350      1.00000
      8       2.2949      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0261     -0.00000
     13       7.4899     -0.00000
     14       8.0156     -0.00000
     15       8.8264      0.00000
     16       9.7274      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6350      1.00000
      8       2.2949      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0261     -0.00000
     13       7.4902     -0.00000
     14       8.0169     -0.00000
     15       8.8293      0.00000
     16       9.7155      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6350      1.00000
      8       2.2948      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0261     -0.00000
     13       7.4898     -0.00000
     14       8.0157     -0.00000
     15       8.8470      0.00000
     16       9.9311      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4970      1.00000
      3      -6.1079      1.00000
      4      -4.2131      1.00000
      5      -1.7544      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0160     -0.00000
      9       6.4877     -0.00000
     10       7.2145     -0.00000
     11       7.3219     -0.00000
     12       7.4692     -0.00000
     13       7.6038     -0.00000
     14       8.3716     -0.00000
     15       8.8595      0.00000
     16      10.0863      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4970      1.00000
      3      -6.1079      1.00000
      4      -4.2131      1.00000
      5      -1.7544      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0160     -0.00000
      9       6.4877     -0.00000
     10       7.2145     -0.00000
     11       7.3219     -0.00000
     12       7.4692     -0.00000
     13       7.6037     -0.00000
     14       8.3681     -0.00000
     15       8.7362      0.00000
     16      10.0713      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4970      1.00000
      3      -6.1079      1.00000
      4      -4.2131      1.00000
      5      -1.7544      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0160     -0.00000
      9       6.4877     -0.00000
     10       7.2145     -0.00000
     11       7.3219     -0.00000
     12       7.4692     -0.00000
     13       7.6037     -0.00000
     14       8.3631     -0.00000
     15       8.7336      0.00000
     16      10.0586      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59666
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3445     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7585     -0.00000
     15       8.4281     -0.00000
     16       8.7614      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59663
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3445     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7586     -0.00000
     15       8.4306     -0.00000
     16       8.7673      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59666
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3445     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7586     -0.00000
     15       8.4316     -0.00000
     16       8.7631      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59666
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3445     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7595     -0.00000
     15       8.4357     -0.00000
     16       8.7630      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59665
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3445     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7592     -0.00000
     15       8.4272     -0.00000
     16       8.7670      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59664
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3445     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7586     -0.00000
     15       8.4310     -0.00000
     16       8.7606      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2738     -0.00000
     11       4.8625     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3923     -0.00000
     15       7.5327     -0.00000
     16       8.8559      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2738     -0.00000
     11       4.8625     -0.00000
     12       5.7142     -0.00000
     13       6.6233     -0.00000
     14       7.3912     -0.00000
     15       7.5331     -0.00000
     16       8.8568      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2738     -0.00000
     11       4.8625     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3915     -0.00000
     15       7.5328     -0.00000
     16       8.8575      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2738     -0.00000
     11       4.8625     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3916     -0.00000
     15       7.5326     -0.00000
     16       8.8793      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2738     -0.00000
     11       4.8625     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3915     -0.00000
     15       7.5336     -0.00000
     16       8.8874      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2738     -0.00000
     11       4.8625     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3914     -0.00000
     15       7.5340     -0.00000
     16       8.9899      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7485      1.00000
      2      -2.7262      1.00000
      3      -1.8414      1.00000
      4      -1.8374      1.00000
      5      -0.6966      1.00000
      6      -0.3004      1.00000
      7       1.2435      1.00000
      8       1.9784      1.00000
      9       3.7768     -0.00005
     10       3.9077     -0.00000
     11       4.7118     -0.00000
     12       5.7432     -0.00000
     13       6.3950     -0.00000
     14       6.7518     -0.00000
     15       7.1158     -0.00000
     16       8.9158      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7485      1.00000
      2      -2.7262      1.00000
      3      -1.8414      1.00000
      4      -1.8374      1.00000
      5      -0.6966      1.00000
      6      -0.3004      1.00000
      7       1.2435      1.00000
      8       1.9784      1.00000
      9       3.7768     -0.00005
     10       3.9077     -0.00000
     11       4.7118     -0.00000
     12       5.7432     -0.00000
     13       6.3950     -0.00000
     14       6.7519     -0.00000
     15       7.1158     -0.00000
     16       8.8419      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7485      1.00000
      2      -2.7262      1.00000
      3      -1.8414      1.00000
      4      -1.8374      1.00000
      5      -0.6966      1.00000
      6      -0.3004      1.00000
      7       1.2435      1.00000
      8       1.9784      1.00000
      9       3.7768     -0.00005
     10       3.9077     -0.00000
     11       4.7118     -0.00000
     12       5.7432     -0.00000
     13       6.3950     -0.00000
     14       6.7519     -0.00000
     15       7.1158     -0.00000
     16       8.8030      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3473      1.00000
      3      -2.9514      1.00000
      4      -1.0810      1.00000
      5       1.1548      1.00000
      6       2.0925      1.00000
      7       2.2526      1.00000
      8       2.9694      1.01388
      9       3.4222     -0.03346
     10       4.2155     -0.00000
     11       4.4826     -0.00000
     12       4.8449     -0.00000
     13       6.2138     -0.00000
     14       6.8562     -0.00000
     15       7.2638     -0.00000
     16       8.7006      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3473      1.00000
      3      -2.9514      1.00000
      4      -1.0810      1.00000
      5       1.1548      1.00000
      6       2.0925      1.00000
      7       2.2526      1.00000
      8       2.9694      1.01387
      9       3.4222     -0.03347
     10       4.2155     -0.00000
     11       4.4826     -0.00000
     12       4.8449     -0.00000
     13       6.2138     -0.00000
     14       6.8563     -0.00000
     15       7.2639     -0.00000
     16       8.7335      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3473      1.00000
      3      -2.9514      1.00000
      4      -1.0810      1.00000
      5       1.1547      1.00000
      6       2.0925      1.00000
      7       2.2526      1.00000
      8       2.9694      1.01389
      9       3.4222     -0.03346
     10       4.2155     -0.00000
     11       4.4827     -0.00000
     12       4.8449     -0.00000
     13       6.2138     -0.00000
     14       6.8563     -0.00000
     15       7.2641     -0.00000
     16       8.7162      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2534      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1783      0.39157
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2346     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2534      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39177
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.3363     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1783      0.39155
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2876     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1783      0.39156
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2826     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2534      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39164
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2588     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2534      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39170
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1564     -0.00000
     15       6.3757     -0.00000
     16       8.4405     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8844      1.00000
      2      -0.8691      1.00000
      3      -0.8429      1.00000
      4      -0.0389      1.00000
      5       0.0298      1.00000
      6       0.0352      1.00000
      7       1.0665      1.00000
      8       1.0884      1.00000
      9       1.7838      1.00000
     10       2.6844      1.00229
     11       4.0826     -0.00000
     12       4.1208     -0.00000
     13       5.9871     -0.00000
     14       6.0043     -0.00000
     15       6.0642     -0.00000
     16       8.0221     -0.00000
 Fermi energy:         3.1529968456

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8982      1.00000
      2     -10.0083      1.00000
      3      -8.6322      1.00000
      4      -6.7546      1.00000
      5      -4.3265      1.00000
      6      -1.5882      1.00000
      7       1.6320      1.00000
      8       4.6440     -0.00000
      9       5.4161     -0.00000
     10       7.9312     -0.00000
     11       7.9972     -0.00000
     12      11.8946      0.00000
     13      12.1907      0.00000
     14      16.0773      0.00000
     15      16.4247      0.00000
     16      16.8238      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6897      1.00000
      2      -9.7993      1.00000
      3      -8.4221      1.00000
      4      -6.5428      1.00000
      5      -4.1105      1.00000
      6      -1.3781      1.00000
      7       1.8455      1.00000
      8       4.8267     -0.00000
      9       5.5904     -0.00000
     10       8.0991     -0.00000
     11       8.1620     -0.00000
     12      12.0219      0.00000
     13      12.2869      0.00000
     14      13.1144      0.00000
     15      13.8395      0.00000
     16      14.3473      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6897      1.00000
      2      -9.7993      1.00000
      3      -8.4221      1.00000
      4      -6.5428      1.00000
      5      -4.1105      1.00000
      6      -1.3781      1.00000
      7       1.8455      1.00000
      8       4.8267     -0.00000
      9       5.5904     -0.00000
     10       8.0991     -0.00000
     11       8.1620     -0.00000
     12      12.0219      0.00000
     13      12.2867      0.00000
     14      13.1143      0.00000
     15      13.8387      0.00000
     16      14.3286      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6897      1.00000
      2      -9.7993      1.00000
      3      -8.4221      1.00000
      4      -6.5428      1.00000
      5      -4.1105      1.00000
      6      -1.3781      1.00000
      7       1.8455      1.00000
      8       4.8267     -0.00000
      9       5.5904     -0.00000
     10       8.0991     -0.00000
     11       8.1620     -0.00000
     12      12.0219      0.00000
     13      12.2867      0.00000
     14      13.1146      0.00000
     15      13.8575      0.00000
     16      14.3814      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0642      1.00000
      2      -9.1720      1.00000
      3      -7.7916      1.00000
      4      -5.9073      1.00000
      5      -3.4637      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3576     -0.00000
      9       6.1082     -0.00000
     10       8.4823     -0.00000
     11       8.6326      0.00000
     12       9.7257      0.00000
     13      10.2551      0.00000
     14      11.3643      0.00000
     15      12.5247      0.00000
     16      12.9350      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0642      1.00000
      2      -9.1720      1.00000
      3      -7.7916      1.00000
      4      -5.9073      1.00000
      5      -3.4637      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3576     -0.00000
      9       6.1082     -0.00000
     10       8.4823     -0.00000
     11       8.6326      0.00000
     12       9.7257      0.00000
     13      10.2551      0.00000
     14      11.3643      0.00000
     15      12.5103      0.00000
     16      12.7781      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0642      1.00000
      2      -9.1720      1.00000
      3      -7.7916      1.00000
      4      -5.9073      1.00000
      5      -3.4637      1.00000
      6      -0.7489      1.00000
      7       2.4715      1.00001
      8       5.3576     -0.00000
      9       6.1082     -0.00000
     10       8.4823     -0.00000
     11       8.6326      0.00000
     12       9.7257      0.00000
     13      10.2550      0.00000
     14      11.3643      0.00000
     15      12.5173      0.00000
     16      12.8553      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1255      1.00000
      3      -6.7396      1.00000
      4      -4.8482      1.00000
      5      -2.3920      1.00000
      6       0.2884      1.00000
      7       3.4271     -0.03279
      8       5.6435     -0.00000
      9       6.5478     -0.00000
     10       6.8514     -0.00000
     11       7.0543     -0.00000
     12       8.0524     -0.00000
     13       9.4078      0.00000
     14       9.5870      0.00000
     15       9.8091      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      -8.1255      1.00000
      3      -6.7396      1.00000
      4      -4.8482      1.00000
      5      -2.3920      1.00000
      6       0.2884      1.00000
      7       3.4271     -0.03279
      8       5.6435     -0.00000
      9       6.5478     -0.00000
     10       6.8514     -0.00000
     11       7.0543     -0.00000
     12       8.0524     -0.00000
     13       9.4079      0.00000
     14       9.5871      0.00000
     15       9.8091      0.00000
     16      11.6385      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0212      1.00000
      2      -8.1255      1.00000
      3      -6.7396      1.00000
      4      -4.8482      1.00000
      5      -2.3920      1.00000
      6       0.2884      1.00000
      7       3.4271     -0.03279
      8       5.6435     -0.00000
      9       6.5478     -0.00000
     10       6.8514     -0.00000
     11       7.0543     -0.00000
     12       8.0524     -0.00000
     13       9.4079      0.00000
     14       9.5871      0.00000
     15       9.8091      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      -6.6574      1.00000
      3      -5.2646      1.00000
      4      -3.3693      1.00000
      5      -0.9268      1.00000
      6       1.5755      1.00000
      7       2.5408      1.00007
      8       3.5067     -0.01554
      9       4.7889     -0.00000
     10       5.1416     -0.00000
     11       6.5285     -0.00000
     12       7.6645     -0.00000
     13       8.2167     -0.00000
     14       8.7180      0.00000
     15      10.5215      0.00000
     16      10.8407      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6574      1.00000
      3      -5.2646      1.00000
      4      -3.3693      1.00000
      5      -0.9268      1.00000
      6       1.5755      1.00000
      7       2.5408      1.00007
      8       3.5067     -0.01554
      9       4.7889     -0.00000
     10       5.1416     -0.00000
     11       6.5285     -0.00000
     12       7.6645     -0.00000
     13       8.2167     -0.00000
     14       8.7178      0.00000
     15      10.5283      0.00000
     16      10.8440      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6574      1.00000
      3      -5.2646      1.00000
      4      -3.3693      1.00000
      5      -0.9268      1.00000
      6       1.5755      1.00000
      7       2.5408      1.00007
      8       3.5067     -0.01554
      9       4.7889     -0.00000
     10       5.1416     -0.00000
     11       6.5285     -0.00000
     12       7.6645     -0.00000
     13       8.2167     -0.00000
     14       8.7178      0.00000
     15      10.5300      0.00000
     16      10.8497      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7653      1.00000
      3      -3.3716      1.00000
      4      -1.5176      1.00000
      5      -0.6744      1.00000
      6       0.1003      1.00000
      7       1.1123      1.00000
      8       2.0088      1.00000
      9       3.6512     -0.00119
     10       3.7466     -0.00011
     11       5.9410     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2072      0.00000
     15       9.7565      0.00000
     16      10.5486      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6723      1.00000
      2      -4.7653      1.00000
      3      -3.3716      1.00000
      4      -1.5177      1.00000
      5      -0.6744      1.00000
      6       0.1003      1.00000
      7       1.1123      1.00000
      8       2.0088      1.00000
      9       3.6512     -0.00119
     10       3.7466     -0.00011
     11       5.9410     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2078      0.00000
     15       9.7566      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      -4.7653      1.00000
      3      -3.3716      1.00000
      4      -1.5176      1.00000
      5      -0.6744      1.00000
      6       0.1003      1.00000
      7       1.1123      1.00000
      8       2.0088      1.00000
      9       3.6512     -0.00119
     10       3.7466     -0.00011
     11       5.9410     -0.00000
     12       6.7181     -0.00000
     13       8.2369     -0.00000
     14       9.2072      0.00000
     15       9.7574      0.00000
     16      10.5970      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3744      1.00000
      2      -3.3520      1.00000
      3      -2.4712      1.00000
      4      -2.4531      1.00000
      5      -1.3105      1.00000
      6      -0.9135      1.00000
      7       0.6433      1.00000
      8       1.3874      1.00000
      9       3.3935     -0.03539
     10       3.5318     -0.01103
     11       5.6774     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8702      0.00000
     15      10.5112      0.00000
     16      11.2070      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3744      1.00000
      2      -3.3520      1.00000
      3      -2.4712      1.00000
      4      -2.4531      1.00000
      5      -1.3106      1.00000
      6      -0.9135      1.00000
      7       0.6433      1.00000
      8       1.3874      1.00000
      9       3.3935     -0.03539
     10       3.5318     -0.01103
     11       5.6774     -0.00000
     12       6.0189     -0.00000
     13       8.4166     -0.00000
     14       8.8691      0.00000
     15      10.3787      0.00000
     16      10.8771      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3744      1.00000
      2      -3.3520      1.00000
      3      -2.4712      1.00000
      4      -2.4531      1.00000
      5      -1.3106      1.00000
      6      -0.9135      1.00000
      7       0.6433      1.00000
      8       1.3874      1.00000
      9       3.3935     -0.03539
     10       3.5318     -0.01103
     11       5.6774     -0.00000
     12       6.0189     -0.00000
     13       8.4167     -0.00000
     14       8.8696      0.00000
     15      10.5553      0.00000
     16      11.4560      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3811      1.00000
      3      -8.0018      1.00000
      4      -6.1191      1.00000
      5      -3.6791      1.00000
      6      -0.9584      1.00000
      7       2.2657      1.00000
      8       5.1853     -0.00000
      9       5.9370     -0.00000
     10       8.4235     -0.00000
     11       8.4698     -0.00000
     12      11.4265      0.00000
     13      11.4448      0.00000
     14      11.8820      0.00000
     15      12.0168      0.00000
     16      12.6798      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3811      1.00000
      3      -8.0018      1.00000
      4      -6.1191      1.00000
      5      -3.6791      1.00000
      6      -0.9584      1.00000
      7       2.2657      1.00000
      8       5.1853     -0.00000
      9       5.9370     -0.00000
     10       8.4235     -0.00000
     11       8.4698     -0.00000
     12      11.4270      0.00000
     13      11.4415      0.00000
     14      11.8874      0.00000
     15      12.0192      0.00000
     16      12.6592      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3811      1.00000
      3      -8.0018      1.00000
      4      -6.1191      1.00000
      5      -3.6791      1.00000
      6      -0.9584      1.00000
      7       2.2657      1.00000
      8       5.1853     -0.00000
      9       5.9370     -0.00000
     10       8.4235     -0.00000
     11       8.4698     -0.00000
     12      11.4267      0.00000
     13      11.4406      0.00000
     14      11.8742      0.00000
     15      12.0764      0.00000
     16      12.7625      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81888
      8       5.8349     -0.00000
      9       6.6052     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4246      0.00000
     14       9.8233      0.00000
     15      10.1781      0.00000
     16      10.7026      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81888
      8       5.8349     -0.00000
      9       6.6052     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4246      0.00000
     14       9.8237      0.00000
     15      10.1896      0.00000
     16      10.7128      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81888
      8       5.8349     -0.00000
      9       6.6052     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4248      0.00000
     14       9.8242      0.00000
     15      10.1785      0.00000
     16      10.7032      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81888
      8       5.8349     -0.00000
      9       6.6052     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4250      0.00000
     14       9.8237      0.00000
     15      10.1777      0.00000
     16      10.7036      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81888
      8       5.8349     -0.00000
      9       6.6052     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4248      0.00000
     14       9.8229      0.00000
     15      10.1785      0.00000
     16      10.7035      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.5443      1.00000
      3      -7.1606      1.00000
      4      -5.2717      1.00000
      5      -2.8194      1.00000
      6      -0.1234      1.00000
      7       3.0704      0.81888
      8       5.8349     -0.00000
      9       6.6052     -0.00000
     10       7.8542     -0.00000
     11       8.5692     -0.00000
     12       9.0060      0.00000
     13       9.4245      0.00000
     14       9.8230      0.00000
     15      10.1779      0.00000
     16      10.7021      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0019      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7011     -0.00000
     13       8.1828     -0.00000
     14       8.9387      0.00000
     15       9.5954      0.00000
     16      10.1593      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0019      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9480      0.00000
     15       9.6385      0.00000
     16      10.2326      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0019      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9520      0.00000
     15       9.5842      0.00000
     16      10.2284      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0019      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.9568      0.00000
     15       9.6266      0.00000
     16      10.2327      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0019      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7010     -0.00000
     13       8.1828     -0.00000
     14       8.8995      0.00000
     15       9.6362      0.00000
     16      10.2897      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1859      1.00000
      2      -7.2872      1.00000
      3      -5.8971      1.00000
      4      -4.0019      1.00000
      5      -1.5449      1.00000
      6       1.0939      1.00000
      7       3.8128     -0.00002
      8       4.6790     -0.00000
      9       5.3884     -0.00000
     10       6.4988     -0.00000
     11       7.0977     -0.00000
     12       7.7012     -0.00000
     13       8.1828     -0.00000
     14       8.8931      0.00000
     15       9.5849      0.00000
     16      10.2088      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00114
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9783     -0.00000
     14       8.6696      0.00000
     15       9.1067      0.00000
     16       9.1693      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00112
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9793     -0.00000
     14       8.6710      0.00000
     15       9.1033      0.00000
     16       9.1283      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00113
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9821     -0.00000
     14       8.6616      0.00000
     15       9.1078      0.00000
     16       9.1342      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00113
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9784     -0.00000
     14       8.6593      0.00000
     15       9.1065      0.00000
     16       9.1220      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00113
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9801     -0.00000
     14       8.6597      0.00000
     15       9.1020      0.00000
     16       9.1170      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5118      1.00000
      2      -5.6070      1.00000
      3      -4.2114      1.00000
      4      -2.3231      1.00000
      5       0.0221      1.00000
      6       0.9923      1.00000
      7       1.9611      1.00000
      8       2.9832      1.00112
      9       3.5120     -0.01450
     10       5.1987     -0.00000
     11       5.9134     -0.00000
     12       7.3312     -0.00000
     13       7.9780     -0.00000
     14       8.6654      0.00000
     15       9.1040      0.00000
     16       9.1209      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6349      1.00000
      8       2.2948      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0260     -0.00000
     13       7.4899     -0.00000
     14       8.0157     -0.00000
     15       8.8408      0.00000
     16       9.7217      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3622      1.00000
      7       0.6349      1.00000
      8       2.2948      1.00000
      9       2.6708      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0260     -0.00000
     13       7.4899     -0.00000
     14       8.0155     -0.00000
     15       8.8256      0.00000
     16       9.7223      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6349      1.00000
      8       2.2948      1.00000
      9       2.6708      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0260     -0.00000
     13       7.4899     -0.00000
     14       8.0155     -0.00000
     15       8.8253      0.00000
     16       9.7802      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6349      1.00000
      8       2.2948      1.00000
      9       2.6709      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0260     -0.00000
     13       7.4898     -0.00000
     14       8.0155     -0.00000
     15       8.8254      0.00000
     16       9.7164      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4130      1.00000
      2      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3621      1.00000
      7       0.6349      1.00000
      8       2.2948      1.00000
      9       2.6708      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0260     -0.00000
     13       7.4900     -0.00000
     14       8.0165     -0.00000
     15       8.8324      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      -3.5057      1.00000
      3      -2.1287      1.00000
      4      -1.9015      1.00000
      5      -1.0609      1.00000
      6      -0.3622      1.00000
      7       0.6349      1.00000
      8       2.2948      1.00000
      9       2.6708      1.00173
     10       4.7360     -0.00000
     11       4.9114     -0.00000
     12       7.0260     -0.00000
     13       7.4899     -0.00000
     14       8.0164     -0.00000
     15       8.8259      0.00000
     16       9.7794      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4970      1.00000
      3      -6.1079      1.00000
      4      -4.2132      1.00000
      5      -1.7545      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0160     -0.00000
      9       6.4877     -0.00000
     10       7.2145     -0.00000
     11       7.3219     -0.00000
     12       7.4692     -0.00000
     13       7.6036     -0.00000
     14       8.3708     -0.00000
     15       8.7340      0.00000
     16      10.0721      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4970      1.00000
      3      -6.1079      1.00000
      4      -4.2132      1.00000
      5      -1.7545      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0160     -0.00000
      9       6.4877     -0.00000
     10       7.2145     -0.00000
     11       7.3219     -0.00000
     12       7.4692     -0.00000
     13       7.6036     -0.00000
     14       8.3698     -0.00000
     15       8.7326      0.00000
     16      10.0768      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3950      1.00000
      2      -7.4970      1.00000
      3      -6.1079      1.00000
      4      -4.2132      1.00000
      5      -1.7545      1.00000
      6       0.9025      1.00000
      7       3.9661     -0.00000
      8       6.0160     -0.00000
      9       6.4877     -0.00000
     10       7.2145     -0.00000
     11       7.3219     -0.00000
     12       7.4692     -0.00000
     13       7.6036     -0.00000
     14       8.3649     -0.00000
     15       8.7348      0.00000
     16      10.0863      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59674
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3444     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7588     -0.00000
     15       8.4303     -0.00000
     16       8.7611      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59674
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3444     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7586     -0.00000
     15       8.4353     -0.00000
     16       8.7628      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59672
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3444     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0126     -0.00000
     14       7.7657     -0.00000
     15       8.4351     -0.00000
     16       8.7655      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59674
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3444     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7591     -0.00000
     15       8.4267     -0.00000
     16       8.7638      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59670
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3444     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0124     -0.00000
     14       7.7588     -0.00000
     15       8.4320     -0.00000
     16       8.7609      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9314      1.00000
      2      -6.0281      1.00000
      3      -4.6328      1.00000
      4      -2.7377      1.00000
      5      -0.3069      1.00000
      6       2.1601      1.00000
      7       3.1294      0.59674
      8       4.0816     -0.00000
      9       5.0859     -0.00000
     10       5.3444     -0.00000
     11       5.9019     -0.00000
     12       6.4702     -0.00000
     13       7.0123     -0.00000
     14       7.7585     -0.00000
     15       8.4271     -0.00000
     16       8.7661      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2737     -0.00000
     11       4.8624     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3914     -0.00000
     15       7.5342     -0.00000
     16       8.8657      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2737     -0.00000
     11       4.8624     -0.00000
     12       5.7142     -0.00000
     13       6.6233     -0.00000
     14       7.3914     -0.00000
     15       7.5349     -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      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2737     -0.00000
     11       4.8624     -0.00000
     12       5.7142     -0.00000
     13       6.6233     -0.00000
     14       7.3913     -0.00000
     15       7.5327     -0.00000
     16       8.8644      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2737     -0.00000
     11       4.8624     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3914     -0.00000
     15       7.5332     -0.00000
     16       8.8773      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2737     -0.00000
     11       4.8624     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3914     -0.00000
     15       7.5333     -0.00000
     16       8.8874      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0444      1.00000
      2      -4.1365      1.00000
      3      -2.7434      1.00000
      4      -0.9000      1.00000
      5      -0.0578      1.00000
      6       0.7023      1.00000
      7       1.7028      1.00000
      8       2.5801      1.00020
      9       4.0689     -0.00000
     10       4.2737     -0.00000
     11       4.8624     -0.00000
     12       5.7142     -0.00000
     13       6.6232     -0.00000
     14       7.3920     -0.00000
     15       7.5335     -0.00000
     16       8.8817      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7485      1.00000
      2      -2.7262      1.00000
      3      -1.8414      1.00000
      4      -1.8374      1.00000
      5      -0.6966      1.00000
      6      -0.3004      1.00000
      7       1.2435      1.00000
      8       1.9784      1.00000
      9       3.7768     -0.00005
     10       3.9077     -0.00000
     11       4.7117     -0.00000
     12       5.7432     -0.00000
     13       6.3950     -0.00000
     14       6.7518     -0.00000
     15       7.1158     -0.00000
     16       8.7434      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7485      1.00000
      2      -2.7262      1.00000
      3      -1.8414      1.00000
      4      -1.8374      1.00000
      5      -0.6967      1.00000
      6      -0.3004      1.00000
      7       1.2435      1.00000
      8       1.9784      1.00000
      9       3.7768     -0.00005
     10       3.9077     -0.00000
     11       4.7118     -0.00000
     12       5.7432     -0.00000
     13       6.3950     -0.00000
     14       6.7518     -0.00000
     15       7.1158     -0.00000
     16       8.7105      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7485      1.00000
      2      -2.7262      1.00000
      3      -1.8414      1.00000
      4      -1.8374      1.00000
      5      -0.6967      1.00000
      6      -0.3004      1.00000
      7       1.2435      1.00000
      8       1.9784      1.00000
      9       3.7768     -0.00005
     10       3.9077     -0.00000
     11       4.7117     -0.00000
     12       5.7432     -0.00000
     13       6.3950     -0.00000
     14       6.7518     -0.00000
     15       7.1158     -0.00000
     16       8.7718      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3473      1.00000
      3      -2.9514      1.00000
      4      -1.0811      1.00000
      5       1.1547      1.00000
      6       2.0925      1.00000
      7       2.2525      1.00000
      8       2.9693      1.01390
      9       3.4222     -0.03347
     10       4.2155     -0.00000
     11       4.4826     -0.00000
     12       4.8449     -0.00000
     13       6.2139     -0.00000
     14       6.8562     -0.00000
     15       7.2639     -0.00000
     16       8.7047      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3473      1.00000
      3      -2.9514      1.00000
      4      -1.0811      1.00000
      5       1.1547      1.00000
      6       2.0925      1.00000
      7       2.2525      1.00000
      8       2.9693      1.01390
      9       3.4222     -0.03346
     10       4.2155     -0.00000
     11       4.4826     -0.00000
     12       4.8449     -0.00000
     13       6.2139     -0.00000
     14       6.8564     -0.00000
     15       7.2639     -0.00000
     16       8.6987      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2550      1.00000
      2      -4.3473      1.00000
      3      -2.9514      1.00000
      4      -1.0811      1.00000
      5       1.1547      1.00000
      6       2.0925      1.00000
      7       2.2525      1.00000
      8       2.9693      1.01390
      9       3.4222     -0.03347
     10       4.2155     -0.00000
     11       4.4826     -0.00000
     12       4.8449     -0.00000
     13       6.2138     -0.00000
     14       6.8562     -0.00000
     15       7.2638     -0.00000
     16       8.7044      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7481      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39186
     11       4.1368     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2550     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39172
     11       4.1367     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.3074     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7481      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39187
     11       4.1367     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2962     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7481      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39189
     11       4.1367     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.3916     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7481      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39177
     11       4.1367     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.2841     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1569      1.00000
      2      -2.2535      1.00000
      3      -0.8915      1.00000
      4      -0.6563      1.00000
      5       0.1624      1.00000
      6       0.8178      1.00000
      7       1.7482      1.00000
      8       1.8243      1.00000
      9       2.5368      1.00006
     10       3.1782      0.39177
     11       4.1367     -0.00000
     12       4.6541     -0.00000
     13       6.0505     -0.00000
     14       6.1563     -0.00000
     15       6.3757     -0.00000
     16       8.3456     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8845      1.00000
      2      -0.8692      1.00000
      3      -0.8430      1.00000
      4      -0.0389      1.00000
      5       0.0298      1.00000
      6       0.0352      1.00000
      7       1.0664      1.00000
      8       1.0884      1.00000
      9       1.7838      1.00000
     10       2.6843      1.00228
     11       4.0826     -0.00000
     12       4.1207     -0.00000
     13       5.9870     -0.00000
     14       6.0043     -0.00000
     15       6.0642     -0.00000
     16       8.0225     -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
115.813 -61.858   0.000  -0.084  -0.000  -0.000  -0.022   0.000
-61.858  33.041  -0.000   0.035   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   0.035  -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      0.0018
    FORHF :  cpu time    416.6723: real time    419.4717
    FORNL :  cpu time      0.4964: real time      0.5014
    FORCOR:  cpu time      1.9535: real time      1.9643
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.679E-05 0.256E-04 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.728E-05 -.287E-04 -.125E+01
   -.118E-06 0.837E-05 0.913E+02   -.329E-14 0.213E-14 -.913E+02   -.111E-05 -.706E-05 0.204E+00
   -.121E-04 -.823E-05 -.162E-02   -.141E-12 -.840E-13 0.489E-01   0.165E-04 0.520E-05 -.873E-01
   0.108E-04 -.287E-04 -.924E+02   0.139E-12 0.852E-13 0.923E+02   -.585E-05 0.317E-04 0.888E-01
   0.212E-05 -.272E-04 -.182E+03   -.476E-13 -.278E-13 0.181E+03   -.216E-06 0.293E-04 0.106E+01
 -----------------------------------------------------------------------------------------------
   0.654E-05 -.324E-04 -.918E-02   -.971E-14 0.313E-14 -.568E-13   0.208E-05 0.304E-04 0.211E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000002     -0.000003     -0.127259
      0.00000      0.00000      2.33311        -0.000004      0.000001      0.139876
      1.42873      0.82488      4.66621         0.000002     -0.000003     -0.040109
      2.85746      1.64976      6.98091         0.000003      0.000003     -0.005369
      0.00000      0.00000      9.35139         0.000000      0.000002      0.032861
 -----------------------------------------------------------------------------------
    total drift:                                0.000009     -0.000001      0.012874


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90159527 eV

  energy  without entropy=      -13.89623120  energy(sigma->0) =      -13.89980725
 
 d Force = 0.1304243E-02[ 0.465E-03, 0.214E-02]  d Energy = 0.1449596E-02-0.145E-03
 d Force = 0.1178966E+01[ 0.117E+01, 0.119E+01]  d Ewald  = 0.1178970E+01-0.402E-05


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


    POTLOK:  cpu time      1.9570: real time      1.9675


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.535E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.3422
 eigenvalue spectrum of G is  3.3422


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


    WAVPRE:  cpu time      0.0061: real time      0.0684
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9540: real time      1.9653
    EDDIAG:  cpu time    571.4228: real time    576.1316
    CHARGE:  cpu time      0.2647: real time      0.2666
 writing wavefunctions
     LOOP+:  cpu time   9055.2671: real time   9129.0438


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


    POTLOK:  cpu time      0.7228: real time      0.7282
    SETDIJ:  cpu time      1.2331: real time      1.2386
    TRIAL :  cpu time    573.5316: real time    578.1504
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.7664: real time    580.3988

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9826358E-03  (-0.3142721E-02)
 number of electron      15.0000000 magnetization      -0.0000289
 augmentation part       -0.0008435 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.38004560
  -exchange      EXHF   =        33.27944920
  -V(xc)+E(xc)   XCENC  =       -83.54377665
  PAW double counting   =    100906.65108797  -100805.69303216
  entropy T*S    EENTRO =        -0.00549484
  eigenvalues    EBANDS =       -35.16348989
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90060912 eV

  energy without entropy =      -13.89511427  energy(sigma->0) =      -13.89877750
  exchange ACFDT corr.  =        -0.00540699  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7209: real time      0.7274
    SETDIJ:  cpu time      1.2330: real time      1.2381
    TRIAL :  cpu time    574.2660: real time    578.8879
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    576.4898: real time    581.1253

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8414744E-04  (-0.2573799E-02)
 number of electron      15.0000000 magnetization      -0.0000288
 augmentation part       -0.0008412 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.24429473
  -exchange      EXHF   =        33.27834105
  -V(xc)+E(xc)   XCENC  =       -83.54416447
  PAW double counting   =    100907.34959693  -100806.39154492
  entropy T*S    EENTRO =        -0.00548935
  eigenvalues    EBANDS =       -35.29763905
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90052497 eV

  energy without entropy =      -13.89503562  energy(sigma->0) =      -13.89869519
  exchange ACFDT corr.  =        -0.00541199  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7222: real time      0.7276
    SETDIJ:  cpu time      1.2331: real time      1.2385
    TRIAL :  cpu time    573.8101: real time    578.4382
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    576.0348: real time    580.6758

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1019964E-02  (-0.2973132E-04)
 number of electron      15.0000000 magnetization      -0.0000285
 augmentation part       -0.0008413 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.16675667
  -exchange      EXHF   =        33.27748762
  -V(xc)+E(xc)   XCENC  =       -83.54448272
  PAW double counting   =    100911.00807557  -100810.05002745
  entropy T*S    EENTRO =        -0.00549166
  eigenvalues    EBANDS =       -35.37502699
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90154493 eV

  energy without entropy =      -13.89605328  energy(sigma->0) =      -13.89971438
  exchange ACFDT corr.  =        -0.00540320  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7227: real time      0.7286
    SETDIJ:  cpu time      1.2320: real time      1.2371
    TRIAL :  cpu time    572.8950: real time    577.4942
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    575.1190: real time    579.7315

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4027694E-05  (-0.5004302E-03)
 number of electron      15.0000000 magnetization      -0.0000278
 augmentation part       -0.0008424 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.14500805
  -exchange      EXHF   =        33.27712817
  -V(xc)+E(xc)   XCENC  =       -83.54462432
  PAW double counting   =    100914.49197704  -100813.53394911
  entropy T*S    EENTRO =        -0.00549768
  eigenvalues    EBANDS =       -35.39624805
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90154090 eV

  energy without entropy =      -13.89604322  energy(sigma->0) =      -13.89970834
  exchange ACFDT corr.  =        -0.00540108  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7277
    SETDIJ:  cpu time      1.2321: real time      1.2370
    TRIAL :  cpu time    573.2378: real time    577.8399
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.4612: real time    580.0757

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1139997E-04  (-0.3299812E-03)
 number of electron      15.0000000 magnetization      -0.0000271
 augmentation part       -0.0008430 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.14892416
  -exchange      EXHF   =        33.27715897
  -V(xc)+E(xc)   XCENC  =       -83.54462650
  PAW double counting   =    100918.14568952  -100817.18765540
  entropy T*S    EENTRO =        -0.00549161
  eigenvalues    EBANDS =       -35.39237212
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90155230 eV

  energy without entropy =      -13.89606070  energy(sigma->0) =      -13.89972177
  exchange ACFDT corr.  =        -0.00540572  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2306: real time      1.2361
    TRIAL :  cpu time    571.9885: real time    576.5704
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2653: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    574.2113: real time    578.8061

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1431429E-03  (-0.4570393E-05)
 number of electron      15.0000000 magnetization      -0.0000262
 augmentation part       -0.0008423 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.17122931
  -exchange      EXHF   =        33.27743170
  -V(xc)+E(xc)   XCENC  =       -83.54454388
  PAW double counting   =    100923.48227396  -100822.52427100
  entropy T*S    EENTRO =        -0.00548850
  eigenvalues    EBANDS =       -35.37054037
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90169545 eV

  energy without entropy =      -13.89620694  energy(sigma->0) =      -13.89986595
  exchange ACFDT corr.  =        -0.00540443  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7277
    SETDIJ:  cpu time      1.2308: real time      1.2359
    TRIAL :  cpu time    573.3040: real time    577.9239
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2655: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    575.5265: real time    580.1593

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4691276E-05  (-0.8315293E-04)
 number of electron      15.0000000 magnetization      -0.0000253
 augmentation part       -0.0008406 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.18739930
  -exchange      EXHF   =        33.27766707
  -V(xc)+E(xc)   XCENC  =       -83.54446528
  PAW double counting   =    100929.48576870  -100828.52778704
  entropy T*S    EENTRO =        -0.00548972
  eigenvalues    EBANDS =       -35.35466146
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90169076 eV

  energy without entropy =      -13.89620104  energy(sigma->0) =      -13.89986085
  exchange ACFDT corr.  =        -0.00540458  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7229: real time      0.7284
    SETDIJ:  cpu time      1.2308: real time      1.2363
    TRIAL :  cpu time    572.8763: real time    577.5194
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    575.1002: real time    579.7563

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8363422E-05  (-0.4154296E-04)
 number of electron      15.0000000 magnetization      -0.0000243
 augmentation part       -0.0008383 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.19632023
  -exchange      EXHF   =        33.27778860
  -V(xc)+E(xc)   XCENC  =       -83.54442059
  PAW double counting   =    100935.59780778  -100834.63985532
  entropy T*S    EENTRO =        -0.00548795
  eigenvalues    EBANDS =       -35.34588471
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90169912 eV

  energy without entropy =      -13.89621117  energy(sigma->0) =      -13.89986980
  exchange ACFDT corr.  =        -0.00540659  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7275
    SETDIJ:  cpu time      1.2282: real time      1.2338
    TRIAL :  cpu time    573.5354: real time    578.1822
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.7551: real time    580.4149

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1995308E-04  (-0.1518553E-05)
 number of electron      15.0000000 magnetization      -0.0000235
 augmentation part       -0.0008358 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.20287229
  -exchange      EXHF   =        33.27782865
  -V(xc)+E(xc)   XCENC  =       -83.54440582
  PAW double counting   =    100941.55191819  -100840.59396920
  entropy T*S    EENTRO =        -0.00548717
  eigenvalues    EBANDS =       -35.33940572
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90171907 eV

  energy without entropy =      -13.89623191  energy(sigma->0) =      -13.89989002
  exchange ACFDT corr.  =        -0.00540579  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7277
    SETDIJ:  cpu time      1.2307: real time      1.2357
    TRIAL :  cpu time    574.6499: real time    579.2677
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    576.8719: real time    581.5025

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8929346E-06  (-0.1367182E-04)
 number of electron      15.0000000 magnetization      -0.0000226
 augmentation part       -0.0008333 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.19996256
  -exchange      EXHF   =        33.27778419
  -V(xc)+E(xc)   XCENC  =       -83.54441988
  PAW double counting   =    100946.77911254  -100845.82115393
  entropy T*S    EENTRO =        -0.00548761
  eigenvalues    EBANDS =       -35.34226643
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90171818 eV

  energy without entropy =      -13.89623057  energy(sigma->0) =      -13.89988898
  exchange ACFDT corr.  =        -0.00540514  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7222: real time      0.7277
    SETDIJ:  cpu time      1.2312: real time      1.2363
    TRIAL :  cpu time    573.2914: real time    577.9110
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    571.0598: real time    575.7934
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time   1146.5740: real time   1155.9398

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2441186E-05  (-0.5498752E-05)
 number of electron      15.0000000 magnetization      -0.0000218
 augmentation part       -0.0008312 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.37329082
  -Hartree energ DENC   =      -702.19240301
  -exchange      EXHF   =        33.27767906
  -V(xc)+E(xc)   XCENC  =       -83.54444314
  PAW double counting   =    100951.34206095  -100850.38409631
  entropy T*S    EENTRO =        -0.00548667
  eigenvalues    EBANDS =       -35.34973922
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90172062 eV

  energy without entropy =      -13.89623396  energy(sigma->0) =      -13.89989173
  exchange ACFDT corr.  =        -0.00540516  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0453


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8960       2 -69.7843       3 -69.7786       4 -69.7744       5 -69.8980
 
 
 
 E-fermi :   3.1533     XC(G=0):  -5.1183     alpha+bet : -8.9779

 Fermi energy:         3.1533431690

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8968      1.00000
      2     -10.0015      1.00000
      3      -8.6270      1.00000
      4      -6.7568      1.00000
      5      -4.3273      1.00000
      6      -1.5883      1.00000
      7       1.6312      1.00000
      8       4.6394     -0.00000
      9       5.4141     -0.00000
     10       7.9293     -0.00000
     11       7.9955     -0.00000
     12      11.8938      0.00000
     13      12.1889      0.00000
     14      16.0643      0.00000
     15      16.2798      0.00000
     16      16.5119      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6883      1.00000
      2      -9.7924      1.00000
      3      -8.4169      1.00000
      4      -6.5450      1.00000
      5      -4.1113      1.00000
      6      -1.3782      1.00000
      7       1.8447      1.00000
      8       4.8221     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1604     -0.00000
     12      12.0213      0.00000
     13      12.2848      0.00000
     14      13.1157      0.00000
     15      13.8635      0.00000
     16      14.3802      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6883      1.00000
      2      -9.7924      1.00000
      3      -8.4169      1.00000
      4      -6.5450      1.00000
      5      -4.1113      1.00000
      6      -1.3782      1.00000
      7       1.8447      1.00000
      8       4.8221     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1604     -0.00000
     12      12.0214      0.00000
     13      12.2847      0.00000
     14      13.1157      0.00000
     15      13.8435      0.00000
     16      14.5666      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6883      1.00000
      2      -9.7924      1.00000
      3      -8.4169      1.00000
      4      -6.5450      1.00000
      5      -4.1113      1.00000
      6      -1.3782      1.00000
      7       1.8447      1.00000
      8       4.8221     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1604     -0.00000
     12      12.0213      0.00000
     13      12.2848      0.00000
     14      13.1157      0.00000
     15      13.8450      0.00000
     16      14.3766      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0629      1.00000
      2      -9.1651      1.00000
      3      -7.7864      1.00000
      4      -5.9094      1.00000
      5      -3.4646      1.00000
      6      -0.7491      1.00000
      7       2.4707      1.00001
      8       5.3533     -0.00000
      9       6.1063     -0.00000
     10       8.4812     -0.00000
     11       8.6308      0.00000
     12       9.7263      0.00000
     13      10.2607      0.00000
     14      11.3695      0.00000
     15      12.5081      0.00000
     16      12.7774      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0629      1.00000
      2      -9.1651      1.00000
      3      -7.7864      1.00000
      4      -5.9094      1.00000
      5      -3.4646      1.00000
      6      -0.7491      1.00000
      7       2.4707      1.00001
      8       5.3533     -0.00000
      9       6.1063     -0.00000
     10       8.4812     -0.00000
     11       8.6308      0.00000
     12       9.7263      0.00000
     13      10.2607      0.00000
     14      11.3695      0.00000
     15      12.5134      0.00000
     16      12.8230      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0629      1.00000
      2      -9.1651      1.00000
      3      -7.7864      1.00000
      4      -5.9094      1.00000
      5      -3.4646      1.00000
      6      -0.7491      1.00000
      7       2.4707      1.00001
      8       5.3533     -0.00000
      9       6.1063     -0.00000
     10       8.4812     -0.00000
     11       8.6308      0.00000
     12       9.7263      0.00000
     13      10.2609      0.00000
     14      11.3695      0.00000
     15      12.5133      0.00000
     16      12.8993      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0198      1.00000
      2      -8.1185      1.00000
      3      -6.7343      1.00000
      4      -4.8503      1.00000
      5      -2.3929      1.00000
      6       0.2883      1.00000
      7       3.4265     -0.03295
      8       5.6436     -0.00000
      9       6.5462     -0.00000
     10       6.8563     -0.00000
     11       7.0526     -0.00000
     12       8.0575     -0.00000
     13       9.4060      0.00000
     14       9.5848      0.00000
     15       9.8082      0.00000
     16      11.5955      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0198      1.00000
      2      -8.1185      1.00000
      3      -6.7343      1.00000
      4      -4.8503      1.00000
      5      -2.3929      1.00000
      6       0.2883      1.00000
      7       3.4265     -0.03295
      8       5.6436     -0.00000
      9       6.5462     -0.00000
     10       6.8563     -0.00000
     11       7.0526     -0.00000
     12       8.0575     -0.00000
     13       9.4059      0.00000
     14       9.5848      0.00000
     15       9.8082      0.00000
     16      11.6093      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0198      1.00000
      2      -8.1185      1.00000
      3      -6.7343      1.00000
      4      -4.8503      1.00000
      5      -2.3929      1.00000
      6       0.2883      1.00000
      7       3.4265     -0.03295
      8       5.6436     -0.00000
      9       6.5462     -0.00000
     10       6.8563     -0.00000
     11       7.0526     -0.00000
     12       8.0575     -0.00000
     13       9.4059      0.00000
     14       9.5848      0.00000
     15       9.8083      0.00000
     16      11.6597      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5572      1.00000
      2      -6.6504      1.00000
      3      -5.2592      1.00000
      4      -3.3714      1.00000
      5      -0.9275      1.00000
      6       1.5760      1.00000
      7       2.5419      1.00007
      8       3.5128     -0.01447
      9       4.7942     -0.00000
     10       5.1413     -0.00000
     11       6.5263     -0.00000
     12       7.6603     -0.00000
     13       8.2150     -0.00000
     14       8.7172      0.00000
     15      10.5210      0.00000
     16      10.8375      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5572      1.00000
      2      -6.6504      1.00000
      3      -5.2592      1.00000
      4      -3.3714      1.00000
      5      -0.9275      1.00000
      6       1.5760      1.00000
      7       2.5419      1.00007
      8       3.5128     -0.01448
      9       4.7942     -0.00000
     10       5.1413     -0.00000
     11       6.5263     -0.00000
     12       7.6603     -0.00000
     13       8.2150     -0.00000
     14       8.7172      0.00000
     15      10.5225      0.00000
     16      10.8367      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5572      1.00000
      2      -6.6504      1.00000
      3      -5.2592      1.00000
      4      -3.3714      1.00000
      5      -0.9275      1.00000
      6       1.5760      1.00000
      7       2.5419      1.00007
      8       3.5128     -0.01447
      9       4.7942     -0.00000
     10       5.1413     -0.00000
     11       6.5263     -0.00000
     12       7.6603     -0.00000
     13       8.2150     -0.00000
     14       8.7172      0.00000
     15      10.5213      0.00000
     16      10.8356      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6710      1.00000
      2      -4.7582      1.00000
      3      -3.3660      1.00000
      4      -1.5194      1.00000
      5      -0.6735      1.00000
      6       0.1064      1.00000
      7       1.1143      1.00000
      8       2.0126      1.00000
      9       3.6498     -0.00126
     10       3.7460     -0.00011
     11       5.9401     -0.00000
     12       6.7175     -0.00000
     13       8.2367     -0.00000
     14       9.2052      0.00000
     15       9.7550      0.00000
     16      10.6467      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6710      1.00000
      2      -4.7582      1.00000
      3      -3.3660      1.00000
      4      -1.5194      1.00000
      5      -0.6735      1.00000
      6       0.1064      1.00000
      7       1.1143      1.00000
      8       2.0126      1.00000
      9       3.6498     -0.00126
     10       3.7460     -0.00011
     11       5.9401     -0.00000
     12       6.7175     -0.00000
     13       8.2367     -0.00000
     14       9.2033      0.00000
     15       9.7548      0.00000
     16      10.4124      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6710      1.00000
      2      -4.7582      1.00000
      3      -3.3660      1.00000
      4      -1.5194      1.00000
      5      -0.6735      1.00000
      6       0.1064      1.00000
      7       1.1143      1.00000
      8       2.0126      1.00000
      9       3.6498     -0.00126
     10       3.7460     -0.00011
     11       5.9401     -0.00000
     12       6.7175     -0.00000
     13       8.2367     -0.00000
     14       9.2037      0.00000
     15       9.7546      0.00000
     16      10.5100      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3735      1.00000
      2      -3.3504      1.00000
      3      -2.4632      1.00000
      4      -2.4470      1.00000
      5      -1.3039      1.00000
      6      -0.9088      1.00000
      7       0.6415      1.00000
      8       1.3852      1.00000
      9       3.3924     -0.03532
     10       3.5315     -0.01116
     11       5.6768     -0.00000
     12       6.0190     -0.00000
     13       8.4161     -0.00000
     14       8.8683      0.00000
     15      10.2984      0.00000
     16      10.5544      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3735      1.00000
      2      -3.3504      1.00000
      3      -2.4632      1.00000
      4      -2.4470      1.00000
      5      -1.3039      1.00000
      6      -0.9088      1.00000
      7       0.6415      1.00000
      8       1.3852      1.00000
      9       3.3924     -0.03532
     10       3.5315     -0.01116
     11       5.6768     -0.00000
     12       6.0190     -0.00000
     13       8.4161     -0.00000
     14       8.8682      0.00000
     15      10.2870      0.00000
     16      10.6737      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3735      1.00000
      2      -3.3504      1.00000
      3      -2.4632      1.00000
      4      -2.4470      1.00000
      5      -1.3039      1.00000
      6      -0.9088      1.00000
      7       0.6415      1.00000
      8       1.3852      1.00000
      9       3.3924     -0.03532
     10       3.5315     -0.01116
     11       5.6768     -0.00000
     12       6.0190     -0.00000
     13       8.4160     -0.00000
     14       8.8682      0.00000
     15      10.2460      0.00000
     16      10.5595      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2714      1.00000
      2      -9.3742      1.00000
      3      -7.9966      1.00000
      4      -6.1213      1.00000
      5      -3.6799      1.00000
      6      -0.9585      1.00000
      7       2.2649      1.00000
      8       5.1809     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4266      0.00000
     13      11.4467      0.00000
     14      11.8831      0.00000
     15      12.0070      0.00000
     16      12.6776      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2714      1.00000
      2      -9.3742      1.00000
      3      -7.9966      1.00000
      4      -6.1213      1.00000
      5      -3.6799      1.00000
      6      -0.9585      1.00000
      7       2.2649      1.00000
      8       5.1809     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4254      0.00000
     13      11.4645      0.00000
     14      11.8868      0.00000
     15      12.0035      0.00000
     16      12.7124      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2714      1.00000
      2      -9.3742      1.00000
      3      -7.9966      1.00000
      4      -6.1213      1.00000
      5      -3.6799      1.00000
      6      -0.9585      1.00000
      7       2.2649      1.00000
      8       5.1809     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4261      0.00000
     13      11.4410      0.00000
     14      11.8887      0.00000
     15      12.0157      0.00000
     16      12.6723      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82218
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4229      0.00000
     14       9.8282      0.00000
     15      10.1788      0.00000
     16      10.7116      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82218
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4230      0.00000
     14       9.8282      0.00000
     15      10.1780      0.00000
     16      10.7096      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82219
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4229      0.00000
     14       9.8282      0.00000
     15      10.1786      0.00000
     16      10.7125      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82219
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4230      0.00000
     14       9.8283      0.00000
     15      10.1784      0.00000
     16      10.7092      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82218
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4230      0.00000
     14       9.8283      0.00000
     15      10.1796      0.00000
     16      10.7121      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82218
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4229      0.00000
     14       9.8283      0.00000
     15      10.1783      0.00000
     16      10.7076      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.8992      0.00000
     15       9.6135      0.00000
     16      10.2267      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9140      0.00000
     15       9.6867      0.00000
     16      10.1360      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9115      0.00000
     15       9.6497      0.00000
     16      10.2770      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9345      0.00000
     15       9.6094      0.00000
     16      10.2718      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9050      0.00000
     15       9.6033      0.00000
     16      10.1800      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9094      0.00000
     15      10.0174      0.00000
     16      10.2536      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00027
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9785     -0.00000
     14       8.6633      0.00000
     15       9.1026      0.00000
     16       9.1278      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9795     -0.00000
     14       8.6604      0.00000
     15       9.1031      0.00000
     16       9.1269      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00028
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9792     -0.00000
     14       8.6563      0.00000
     15       9.1028      0.00000
     16       9.1174      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00027
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9786     -0.00000
     14       8.6574      0.00000
     15       9.1034      0.00000
     16       9.1219      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00028
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9786     -0.00000
     14       8.6642      0.00000
     15       9.1039      0.00000
     16       9.1335      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9789     -0.00000
     14       8.6575      0.00000
     15       9.1052      0.00000
     16       9.1185      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8310      0.00000
     16       9.7127      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8308      0.00000
     16       9.7527      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8529      0.00000
     16       9.8200      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8309      0.00000
     16       9.7098      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0167     -0.00000
     15       8.8319      0.00000
     16       9.7044      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8373      0.00000
     16       9.8044      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4901      1.00000
      3      -6.1026      1.00000
      4      -4.2153      1.00000
      5      -1.7553      1.00000
      6       0.9024      1.00000
      7       3.9655     -0.00000
      8       6.0161     -0.00000
      9       6.4893     -0.00000
     10       7.2189     -0.00000
     11       7.3200     -0.00000
     12       7.4755     -0.00000
     13       7.6025     -0.00000
     14       8.3720     -0.00000
     15       8.7944      0.00000
     16      10.0745      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4901      1.00000
      3      -6.1026      1.00000
      4      -4.2153      1.00000
      5      -1.7553      1.00000
      6       0.9024      1.00000
      7       3.9655     -0.00000
      8       6.0161     -0.00000
      9       6.4893     -0.00000
     10       7.2189     -0.00000
     11       7.3200     -0.00000
     12       7.4755     -0.00000
     13       7.6024     -0.00000
     14       8.3705     -0.00000
     15       8.7376      0.00000
     16      10.0671      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4901      1.00000
      3      -6.1026      1.00000
      4      -4.2153      1.00000
      5      -1.7553      1.00000
      6       0.9024      1.00000
      7       3.9655     -0.00000
      8       6.0161     -0.00000
      9       6.4893     -0.00000
     10       7.2189     -0.00000
     11       7.3200     -0.00000
     12       7.4755     -0.00000
     13       7.6024     -0.00000
     14       8.3686     -0.00000
     15       8.7369      0.00000
     16      10.0566      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0210      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59480
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4233     -0.00000
     16       8.7594      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0210      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59479
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4243     -0.00000
     16       8.7634      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0210      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59480
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4255     -0.00000
     16       8.7607      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0210      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59480
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4272     -0.00000
     16       8.7604      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0210      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59480
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7603     -0.00000
     15       8.4229     -0.00000
     16       8.7636      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0210      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59479
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4242     -0.00000
     16       8.7589      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7048      1.00000
      8       2.5839      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3944     -0.00000
     15       7.5322     -0.00000
     16       8.8527      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7048      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5323     -0.00000
     16       8.8538      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7048      1.00000
      8       2.5839      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5322     -0.00000
     16       8.8538      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7048      1.00000
      8       2.5839      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5322     -0.00000
     16       8.8764      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7048      1.00000
      8       2.5839      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5324     -0.00000
     16       8.8847      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7048      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5325     -0.00000
     16       8.9024      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7477      1.00000
      2      -2.7245      1.00000
      3      -1.8351      1.00000
      4      -1.8296      1.00000
      5      -0.6899      1.00000
      6      -0.2958      1.00000
      7       1.2417      1.00000
      8       1.9764      1.00000
      9       3.7773     -0.00005
     10       3.9067     -0.00000
     11       4.7140     -0.00000
     12       5.7474     -0.00000
     13       6.3946     -0.00000
     14       6.7525     -0.00000
     15       7.1204     -0.00000
     16       8.8563      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7477      1.00000
      2      -2.7245      1.00000
      3      -1.8351      1.00000
      4      -1.8296      1.00000
      5      -0.6899      1.00000
      6      -0.2958      1.00000
      7       1.2417      1.00000
      8       1.9764      1.00000
      9       3.7773     -0.00005
     10       3.9067     -0.00000
     11       4.7140     -0.00000
     12       5.7474     -0.00000
     13       6.3946     -0.00000
     14       6.7525     -0.00000
     15       7.1204     -0.00000
     16       8.7871      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7477      1.00000
      2      -2.7245      1.00000
      3      -1.8351      1.00000
      4      -1.8296      1.00000
      5      -0.6899      1.00000
      6      -0.2958      1.00000
      7       1.2417      1.00000
      8       1.9764      1.00000
      9       3.7773     -0.00005
     10       3.9067     -0.00000
     11       4.7140     -0.00000
     12       5.7474     -0.00000
     13       6.3946     -0.00000
     14       6.7525     -0.00000
     15       7.1204     -0.00000
     16       8.7783      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2537      1.00000
      2      -4.3402      1.00000
      3      -2.9458      1.00000
      4      -1.0830      1.00000
      5       1.1546      1.00000
      6       2.0935      1.00000
      7       2.2553      1.00000
      8       2.9745      1.01023
      9       3.4284     -0.03257
     10       4.2204     -0.00000
     11       4.4845     -0.00000
     12       4.8489     -0.00000
     13       6.2122     -0.00000
     14       6.8544     -0.00000
     15       7.2623     -0.00000
     16       8.6960      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2537      1.00000
      2      -4.3402      1.00000
      3      -2.9458      1.00000
      4      -1.0830      1.00000
      5       1.1546      1.00000
      6       2.0935      1.00000
      7       2.2553      1.00000
      8       2.9745      1.01023
      9       3.4284     -0.03257
     10       4.2204     -0.00000
     11       4.4845     -0.00000
     12       4.8489     -0.00000
     13       6.2122     -0.00000
     14       6.8544     -0.00000
     15       7.2623     -0.00000
     16       8.7130      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2537      1.00000
      2      -4.3402      1.00000
      3      -2.9458      1.00000
      4      -1.0830      1.00000
      5       1.1546      1.00000
      6       2.0935      1.00000
      7       2.2553      1.00000
      8       2.9745      1.01023
      9       3.4284     -0.03257
     10       4.2204     -0.00000
     11       4.4845     -0.00000
     12       4.8489     -0.00000
     13       6.2122     -0.00000
     14       6.8544     -0.00000
     15       7.2624     -0.00000
     16       8.7126      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39137
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2322     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6548      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39145
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.3164     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39136
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2571     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39136
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2659     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39140
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2501     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6548      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39142
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.4359     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8859      1.00000
      2      -0.8651      1.00000
      3      -0.8418      1.00000
      4      -0.0338      1.00000
      5       0.0345      1.00000
      6       0.0460      1.00000
      7       1.0761      1.00000
      8       1.0924      1.00000
      9       1.7875      1.00000
     10       2.6824      1.00217
     11       4.0850     -0.00000
     12       4.1139     -0.00000
     13       5.9854     -0.00000
     14       6.0032     -0.00000
     15       6.0649     -0.00000
     16       8.0201     -0.00000
 Fermi energy:         3.1533431690

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8968      1.00000
      2     -10.0015      1.00000
      3      -8.6271      1.00000
      4      -6.7568      1.00000
      5      -4.3273      1.00000
      6      -1.5883      1.00000
      7       1.6312      1.00000
      8       4.6394     -0.00000
      9       5.4141     -0.00000
     10       7.9293     -0.00000
     11       7.9955     -0.00000
     12      11.8938      0.00000
     13      12.1889      0.00000
     14      16.0679      0.00000
     15      16.4042      0.00000
     16      16.7007      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6884      1.00000
      2      -9.7924      1.00000
      3      -8.4169      1.00000
      4      -6.5450      1.00000
      5      -4.1113      1.00000
      6      -1.3782      1.00000
      7       1.8447      1.00000
      8       4.8221     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1604     -0.00000
     12      12.0213      0.00000
     13      12.2847      0.00000
     14      13.1157      0.00000
     15      13.8446      0.00000
     16      14.3366      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6884      1.00000
      2      -9.7924      1.00000
      3      -8.4169      1.00000
      4      -6.5450      1.00000
      5      -4.1113      1.00000
      6      -1.3782      1.00000
      7       1.8447      1.00000
      8       4.8221     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1604     -0.00000
     12      12.0213      0.00000
     13      12.2847      0.00000
     14      13.1157      0.00000
     15      13.8441      0.00000
     16      14.3258      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6884      1.00000
      2      -9.7924      1.00000
      3      -8.4169      1.00000
      4      -6.5450      1.00000
      5      -4.1113      1.00000
      6      -1.3782      1.00000
      7       1.8447      1.00000
      8       4.8221     -0.00000
      9       5.5884     -0.00000
     10       8.0972     -0.00000
     11       8.1604     -0.00000
     12      12.0213      0.00000
     13      12.2847      0.00000
     14      13.1157      0.00000
     15      13.8521      0.00000
     16      14.3619      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0629      1.00000
      2      -9.1651      1.00000
      3      -7.7864      1.00000
      4      -5.9095      1.00000
      5      -3.4646      1.00000
      6      -0.7491      1.00000
      7       2.4707      1.00001
      8       5.3533     -0.00000
      9       6.1063     -0.00000
     10       8.4812     -0.00000
     11       8.6308      0.00000
     12       9.7263      0.00000
     13      10.2607      0.00000
     14      11.3695      0.00000
     15      12.5212      0.00000
     16      12.9117      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0629      1.00000
      2      -9.1651      1.00000
      3      -7.7864      1.00000
      4      -5.9095      1.00000
      5      -3.4646      1.00000
      6      -0.7491      1.00000
      7       2.4707      1.00001
      8       5.3533     -0.00000
      9       6.1063     -0.00000
     10       8.4812     -0.00000
     11       8.6308      0.00000
     12       9.7263      0.00000
     13      10.2607      0.00000
     14      11.3695      0.00000
     15      12.5085      0.00000
     16      12.7756      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0629      1.00000
      2      -9.1651      1.00000
      3      -7.7864      1.00000
      4      -5.9095      1.00000
      5      -3.4646      1.00000
      6      -0.7491      1.00000
      7       2.4707      1.00001
      8       5.3533     -0.00000
      9       6.1063     -0.00000
     10       8.4812     -0.00000
     11       8.6308      0.00000
     12       9.7263      0.00000
     13      10.2607      0.00000
     14      11.3695      0.00000
     15      12.5145      0.00000
     16      12.8458      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0198      1.00000
      2      -8.1186      1.00000
      3      -6.7343      1.00000
      4      -4.8503      1.00000
      5      -2.3929      1.00000
      6       0.2883      1.00000
      7       3.4265     -0.03295
      8       5.6436     -0.00000
      9       6.5461     -0.00000
     10       6.8563     -0.00000
     11       7.0526     -0.00000
     12       8.0575     -0.00000
     13       9.4059      0.00000
     14       9.5848      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      -9.0198      1.00000
      2      -8.1186      1.00000
      3      -6.7343      1.00000
      4      -4.8503      1.00000
      5      -2.3929      1.00000
      6       0.2883      1.00000
      7       3.4265     -0.03295
      8       5.6436     -0.00000
      9       6.5461     -0.00000
     10       6.8563     -0.00000
     11       7.0526     -0.00000
     12       8.0575     -0.00000
     13       9.4060      0.00000
     14       9.5848      0.00000
     15       9.8082      0.00000
     16      11.6310      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0198      1.00000
      2      -8.1186      1.00000
      3      -6.7343      1.00000
      4      -4.8503      1.00000
      5      -2.3929      1.00000
      6       0.2883      1.00000
      7       3.4265     -0.03295
      8       5.6436     -0.00000
      9       6.5461     -0.00000
     10       6.8563     -0.00000
     11       7.0526     -0.00000
     12       8.0575     -0.00000
     13       9.4059      0.00000
     14       9.5848      0.00000
     15       9.8082      0.00000
     16      11.6105      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5572      1.00000
      2      -6.6504      1.00000
      3      -5.2592      1.00000
      4      -3.3715      1.00000
      5      -0.9275      1.00000
      6       1.5760      1.00000
      7       2.5419      1.00007
      8       3.5128     -0.01448
      9       4.7942     -0.00000
     10       5.1413     -0.00000
     11       6.5263     -0.00000
     12       7.6603     -0.00000
     13       8.2150     -0.00000
     14       8.7172      0.00000
     15      10.5195      0.00000
     16      10.8372      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5572      1.00000
      2      -6.6504      1.00000
      3      -5.2592      1.00000
      4      -3.3715      1.00000
      5      -0.9275      1.00000
      6       1.5760      1.00000
      7       2.5419      1.00007
      8       3.5128     -0.01448
      9       4.7942     -0.00000
     10       5.1413     -0.00000
     11       6.5263     -0.00000
     12       7.6603     -0.00000
     13       8.2150     -0.00000
     14       8.7172      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      -7.5572      1.00000
      2      -6.6504      1.00000
      3      -5.2592      1.00000
      4      -3.3715      1.00000
      5      -0.9275      1.00000
      6       1.5760      1.00000
      7       2.5419      1.00007
      8       3.5128     -0.01448
      9       4.7942     -0.00000
     10       5.1413     -0.00000
     11       6.5263     -0.00000
     12       7.6603     -0.00000
     13       8.2150     -0.00000
     14       8.7172      0.00000
     15      10.5242      0.00000
     16      10.8449      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6710      1.00000
      2      -4.7582      1.00000
      3      -3.3660      1.00000
      4      -1.5194      1.00000
      5      -0.6735      1.00000
      6       0.1064      1.00000
      7       1.1143      1.00000
      8       2.0125      1.00000
      9       3.6498     -0.00126
     10       3.7460     -0.00011
     11       5.9401     -0.00000
     12       6.7175     -0.00000
     13       8.2367     -0.00000
     14       9.2034      0.00000
     15       9.7546      0.00000
     16      10.5284      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6710      1.00000
      2      -4.7582      1.00000
      3      -3.3660      1.00000
      4      -1.5194      1.00000
      5      -0.6735      1.00000
      6       0.1064      1.00000
      7       1.1143      1.00000
      8       2.0126      1.00000
      9       3.6498     -0.00126
     10       3.7460     -0.00011
     11       5.9401     -0.00000
     12       6.7175     -0.00000
     13       8.2367     -0.00000
     14       9.2036      0.00000
     15       9.7546      0.00000
     16      10.5784      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6710      1.00000
      2      -4.7582      1.00000
      3      -3.3660      1.00000
      4      -1.5194      1.00000
      5      -0.6735      1.00000
      6       0.1064      1.00000
      7       1.1143      1.00000
      8       2.0125      1.00000
      9       3.6498     -0.00126
     10       3.7460     -0.00011
     11       5.9401     -0.00000
     12       6.7175     -0.00000
     13       8.2367     -0.00000
     14       9.2034      0.00000
     15       9.7552      0.00000
     16      10.5815      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3735      1.00000
      2      -3.3504      1.00000
      3      -2.4632      1.00000
      4      -2.4470      1.00000
      5      -1.3039      1.00000
      6      -0.9089      1.00000
      7       0.6414      1.00000
      8       1.3852      1.00000
      9       3.3924     -0.03532
     10       3.5315     -0.01116
     11       5.6768     -0.00000
     12       6.0190     -0.00000
     13       8.4160     -0.00000
     14       8.8686      0.00000
     15      10.4667      0.00000
     16      10.9815      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3735      1.00000
      2      -3.3504      1.00000
      3      -2.4632      1.00000
      4      -2.4470      1.00000
      5      -1.3039      1.00000
      6      -0.9089      1.00000
      7       0.6414      1.00000
      8       1.3852      1.00000
      9       3.3924     -0.03532
     10       3.5315     -0.01116
     11       5.6768     -0.00000
     12       6.0190     -0.00000
     13       8.4160     -0.00000
     14       8.8682      0.00000
     15      10.3242      0.00000
     16      10.5926      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3735      1.00000
      2      -3.3504      1.00000
      3      -2.4632      1.00000
      4      -2.4470      1.00000
      5      -1.3039      1.00000
      6      -0.9089      1.00000
      7       0.6414      1.00000
      8       1.3852      1.00000
      9       3.3924     -0.03532
     10       3.5315     -0.01116
     11       5.6768     -0.00000
     12       6.0190     -0.00000
     13       8.4161     -0.00000
     14       8.8684      0.00000
     15      10.5456      0.00000
     16      11.3419      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2714      1.00000
      2      -9.3743      1.00000
      3      -7.9966      1.00000
      4      -6.1213      1.00000
      5      -3.6800      1.00000
      6      -0.9585      1.00000
      7       2.2649      1.00000
      8       5.1809     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4254      0.00000
     13      11.4417      0.00000
     14      11.8828      0.00000
     15      12.0159      0.00000
     16      12.6716      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2714      1.00000
      2      -9.3743      1.00000
      3      -7.9966      1.00000
      4      -6.1213      1.00000
      5      -3.6800      1.00000
      6      -0.9585      1.00000
      7       2.2649      1.00000
      8       5.1809     -0.00000
      9       5.9351     -0.00000
     10       8.4217     -0.00000
     11       8.4682     -0.00000
     12      11.4258      0.00000
     13      11.4398      0.00000
     14      11.8871      0.00000
     15      12.0157      0.00000
     16      12.6534      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2714      1.00000
      2      -9.3743      1.00000
      3      -7.9966      1.00000
      4      -6.1213      1.00000
      5      -3.6800      1.00000
      6      -0.9585      1.00000
      7       2.2649      1.00000
      8       5.1809     -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      11.8779      0.00000
     15      12.0616      0.00000
     16      12.7495      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82227
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4229      0.00000
     14       9.8282      0.00000
     15      10.1785      0.00000
     16      10.7077      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82227
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4229      0.00000
     14       9.8282      0.00000
     15      10.1807      0.00000
     16      10.7142      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82227
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4230      0.00000
     14       9.8283      0.00000
     15      10.1788      0.00000
     16      10.7074      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82227
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4231      0.00000
     14       9.8282      0.00000
     15      10.1781      0.00000
     16      10.7076      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82227
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4230      0.00000
     14       9.8282      0.00000
     15      10.1787      0.00000
     16      10.7081      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.5374      1.00000
      3      -7.1553      1.00000
      4      -5.2739      1.00000
      5      -2.8203      1.00000
      6      -0.1235      1.00000
      7       3.0696      0.82227
      8       5.8312     -0.00000
      9       6.6034     -0.00000
     10       7.8545     -0.00000
     11       8.5754     -0.00000
     12       9.0046      0.00000
     13       9.4229      0.00000
     14       9.8281      0.00000
     15      10.1785      0.00000
     16      10.7074      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9132      0.00000
     15       9.5919      0.00000
     16      10.1355      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9193      0.00000
     15       9.6161      0.00000
     16      10.2171      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9211      0.00000
     15       9.5885      0.00000
     16      10.2101      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.9248      0.00000
     15       9.6086      0.00000
     16      10.2127      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.8966      0.00000
     15       9.6217      0.00000
     16      10.2836      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2802      1.00000
      3      -5.8917      1.00000
      4      -4.0040      1.00000
      5      -1.5457      1.00000
      6       1.0939      1.00000
      7       3.8131     -0.00002
      8       4.6802     -0.00000
      9       5.3943     -0.00000
     10       6.5032     -0.00000
     11       7.0943     -0.00000
     12       7.6992     -0.00000
     13       8.1815     -0.00000
     14       8.8934      0.00000
     15       9.5882      0.00000
     16      10.1991      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9786     -0.00000
     14       8.6604      0.00000
     15       9.1053      0.00000
     16       9.1340      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9790     -0.00000
     14       8.6612      0.00000
     15       9.1025      0.00000
     16       9.1271      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9799     -0.00000
     14       8.6564      0.00000
     15       9.1048      0.00000
     16       9.1231      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9787     -0.00000
     14       8.6564      0.00000
     15       9.1045      0.00000
     16       9.1216      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9794     -0.00000
     14       8.6566      0.00000
     15       9.1023      0.00000
     16       9.1180      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5105      1.00000
      2      -5.6000      1.00000
      3      -4.2059      1.00000
      4      -2.3251      1.00000
      5       0.0217      1.00000
      6       0.9939      1.00000
      7       1.9666      1.00000
      8       2.9844      1.00029
      9       3.5168     -0.01389
     10       5.1969     -0.00000
     11       5.9126     -0.00000
     12       7.3309     -0.00000
     13       7.9786     -0.00000
     14       8.6590      0.00000
     15       9.1031      0.00000
     16       9.1210      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8374      0.00000
     16       9.7095      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8305      0.00000
     16       9.7150      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8305      0.00000
     16       9.7246      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0162     -0.00000
     15       8.8305      0.00000
     16       9.7082      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0163     -0.00000
     15       8.8313      0.00000
     16       9.7056      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4117      1.00000
      2      -3.4986      1.00000
      3      -2.1231      1.00000
      4      -1.9002      1.00000
      5      -1.0545      1.00000
      6      -0.3613      1.00000
      7       0.6381      1.00000
      8       2.2934      1.00000
      9       2.6696      1.00165
     10       4.7367     -0.00000
     11       4.9099     -0.00000
     12       7.0263     -0.00000
     13       7.4903     -0.00000
     14       8.0164     -0.00000
     15       8.8308      0.00000
     16       9.7514      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4901      1.00000
      3      -6.1026      1.00000
      4      -4.2153      1.00000
      5      -1.7553      1.00000
      6       0.9024      1.00000
      7       3.9655     -0.00000
      8       6.0161     -0.00000
      9       6.4893     -0.00000
     10       7.2189     -0.00000
     11       7.3200     -0.00000
     12       7.4755     -0.00000
     13       7.6024     -0.00000
     14       8.3712     -0.00000
     15       8.7371      0.00000
     16      10.0661      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4901      1.00000
      3      -6.1026      1.00000
      4      -4.2153      1.00000
      5      -1.7553      1.00000
      6       0.9024      1.00000
      7       3.9655     -0.00000
      8       6.0161     -0.00000
      9       6.4893     -0.00000
     10       7.2189     -0.00000
     11       7.3200     -0.00000
     12       7.4755     -0.00000
     13       7.6024     -0.00000
     14       8.3706     -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      -8.3936      1.00000
      2      -7.4901      1.00000
      3      -6.1026      1.00000
      4      -4.2153      1.00000
      5      -1.7553      1.00000
      6       0.9024      1.00000
      7       3.9655     -0.00000
      8       6.0161     -0.00000
      9       6.4893     -0.00000
     10       7.2189     -0.00000
     11       7.3200     -0.00000
     12       7.4755     -0.00000
     13       7.6024     -0.00000
     14       8.3689     -0.00000
     15       8.7375      0.00000
     16      10.0795      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0211      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59486
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4245     -0.00000
     16       8.7592      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0211      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59486
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4265     -0.00000
     16       8.7604      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0211      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59485
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7611     -0.00000
     15       8.4244     -0.00000
     16       8.7629      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0211      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59486
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4744     -0.00000
     13       7.0130     -0.00000
     14       7.7602     -0.00000
     15       8.4226     -0.00000
     16       8.7611      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0211      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59485
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4255     -0.00000
     16       8.7590      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9301      1.00000
      2      -6.0211      1.00000
      3      -4.6274      1.00000
      4      -2.7398      1.00000
      5      -0.3076      1.00000
      6       2.1607      1.00000
      7       3.1305      0.59486
      8       4.0875     -0.00000
      9       5.0869     -0.00000
     10       5.3496     -0.00000
     11       5.9039     -0.00000
     12       6.4745     -0.00000
     13       7.0130     -0.00000
     14       7.7600     -0.00000
     15       8.4230     -0.00000
     16       8.7629      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7047      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7190     -0.00000
     13       6.6249     -0.00000
     14       7.3942     -0.00000
     15       7.5326     -0.00000
     16       8.8587      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7047      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7189     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5331     -0.00000
     16       8.8504      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7047      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7189     -0.00000
     13       6.6249     -0.00000
     14       7.3942     -0.00000
     15       7.5323     -0.00000
     16       8.8569      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7047      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7189     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5323     -0.00000
     16       8.8657      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7047      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7189     -0.00000
     13       6.6249     -0.00000
     14       7.3943     -0.00000
     15       7.5323     -0.00000
     16       8.8745      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0431      1.00000
      2      -4.1294      1.00000
      3      -2.7378      1.00000
      4      -0.9016      1.00000
      5      -0.0570      1.00000
      6       0.7083      1.00000
      7       1.7047      1.00000
      8       2.5838      1.00021
      9       4.0695     -0.00000
     10       4.2722     -0.00000
     11       4.8634     -0.00000
     12       5.7189     -0.00000
     13       6.6249     -0.00000
     14       7.3944     -0.00000
     15       7.5323     -0.00000
     16       8.8802      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7477      1.00000
      2      -2.7245      1.00000
      3      -1.8351      1.00000
      4      -1.8296      1.00000
      5      -0.6899      1.00000
      6      -0.2958      1.00000
      7       1.2417      1.00000
      8       1.9764      1.00000
      9       3.7773     -0.00005
     10       3.9067     -0.00000
     11       4.7140     -0.00000
     12       5.7473     -0.00000
     13       6.3946     -0.00000
     14       6.7525     -0.00000
     15       7.1204     -0.00000
     16       8.7196      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7477      1.00000
      2      -2.7245      1.00000
      3      -1.8351      1.00000
      4      -1.8296      1.00000
      5      -0.6899      1.00000
      6      -0.2958      1.00000
      7       1.2417      1.00000
      8       1.9764      1.00000
      9       3.7773     -0.00005
     10       3.9067     -0.00000
     11       4.7140     -0.00000
     12       5.7473     -0.00000
     13       6.3946     -0.00000
     14       6.7525     -0.00000
     15       7.1204     -0.00000
     16       8.6956      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7477      1.00000
      2      -2.7245      1.00000
      3      -1.8351      1.00000
      4      -1.8296      1.00000
      5      -0.6899      1.00000
      6      -0.2958      1.00000
      7       1.2417      1.00000
      8       1.9764      1.00000
      9       3.7773     -0.00005
     10       3.9067     -0.00000
     11       4.7140     -0.00000
     12       5.7473     -0.00000
     13       6.3946     -0.00000
     14       6.7525     -0.00000
     15       7.1204     -0.00000
     16       8.7448      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2537      1.00000
      2      -4.3402      1.00000
      3      -2.9458      1.00000
      4      -1.0830      1.00000
      5       1.1546      1.00000
      6       2.0935      1.00000
      7       2.2553      1.00000
      8       2.9745      1.01025
      9       3.4284     -0.03257
     10       4.2204     -0.00000
     11       4.4845     -0.00000
     12       4.8489     -0.00000
     13       6.2122     -0.00000
     14       6.8544     -0.00000
     15       7.2623     -0.00000
     16       8.7008      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2537      1.00000
      2      -4.3402      1.00000
      3      -2.9458      1.00000
      4      -1.0830      1.00000
      5       1.1546      1.00000
      6       2.0935      1.00000
      7       2.2553      1.00000
      8       2.9745      1.01024
      9       3.4284     -0.03257
     10       4.2204     -0.00000
     11       4.4845     -0.00000
     12       4.8489     -0.00000
     13       6.2122     -0.00000
     14       6.8545     -0.00000
     15       7.2624     -0.00000
     16       8.6961      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2537      1.00000
      2      -4.3402      1.00000
      3      -2.9458      1.00000
      4      -1.0830      1.00000
      5       1.1546      1.00000
      6       2.0935      1.00000
      7       2.2553      1.00000
      8       2.9745      1.01024
      9       3.4284     -0.03257
     10       4.2204     -0.00000
     11       4.4845     -0.00000
     12       4.8489     -0.00000
     13       6.2122     -0.00000
     14       6.8544     -0.00000
     15       7.2623     -0.00000
     16       8.7004      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39151
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2474     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39146
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2915     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39153
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2803     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39153
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.3457     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39149
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.2719     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1556      1.00000
      2      -2.2463      1.00000
      3      -0.8859      1.00000
      4      -0.6549      1.00000
      5       0.1687      1.00000
      6       0.8190      1.00000
      7       1.7500      1.00000
      8       1.8268      1.00000
      9       2.5428      1.00007
     10       3.1795      0.39147
     11       4.1364     -0.00000
     12       4.6563     -0.00000
     13       6.0502     -0.00000
     14       6.1551     -0.00000
     15       6.3740     -0.00000
     16       8.3267     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8859      1.00000
      2      -0.8651      1.00000
      3      -0.8418      1.00000
      4      -0.0338      1.00000
      5       0.0345      1.00000
      6       0.0460      1.00000
      7       1.0761      1.00000
      8       1.0924      1.00000
      9       1.7875      1.00000
     10       2.6823      1.00217
     11       4.0850     -0.00000
     12       4.1139     -0.00000
     13       5.9854     -0.00000
     14       6.0032     -0.00000
     15       6.0649     -0.00000
     16       8.0209     -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
115.814 -61.859  -0.000  -0.086  -0.000   0.000  -0.022   0.000
-61.859  33.041   0.000   0.037   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   0.037  -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      0.0018
    FORHF :  cpu time    416.8757: real time    419.7757
    FORNL :  cpu time      0.4959: real time      0.5011
    FORCOR:  cpu time      1.9596: real time      1.9705
    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
 -----------------------------------------------------------------------------------------------
   0.682E-06 0.504E-05 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.423E-06 -.573E-05 -.124E+01
   0.341E-05 0.525E-05 0.912E+02   -.323E-14 0.222E-14 -.913E+02   -.411E-05 -.515E-05 0.203E+00
   0.100E-05 -.127E-06 -.326E-01   -.142E-12 -.815E-13 0.748E-01   -.728E-06 -.237E-05 -.962E-01
   0.595E-05 -.120E-04 -.925E+02   0.134E-12 0.777E-13 0.924E+02   -.458E-05 0.139E-04 0.123E+00
   0.424E-05 -.270E-05 -.181E+03   -.422E-13 -.229E-13 0.181E+03   -.210E-05 0.181E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.138E-04 -.584E-05 -.285E-01   -.971E-14 0.313E-14 -.114E-12   -.119E-04 0.251E-05 0.247E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000000     -0.123337
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.135868
      1.42873      0.82488      4.66621        -0.000000     -0.000002     -0.050771
      2.85746      1.64976      6.97891         0.000001      0.000002      0.012888
      0.00000      0.00000      9.35517         0.000001     -0.000001      0.025353
 -----------------------------------------------------------------------------------
    total drift:                                0.000002     -0.000003     -0.002689


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90172062 eV

  energy  without entropy=      -13.89623396  energy(sigma->0) =      -13.89989173
 
 d Force = 0.1024922E-03[ 0.700E-04, 0.135E-03]  d Energy = 0.1253519E-03-0.229E-04
 d Force = 0.4976491E+00[ 0.497E+00, 0.498E+00]  d Ewald  = 0.4976492E+00-0.775E-07


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


    POTLOK:  cpu time      1.9621: real time      1.9727


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.390E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.4564
 eigenvalue spectrum of G is  3.4564


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


    WAVPRE:  cpu time      0.0063: real time      0.0711
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0847
    POTLOK:  cpu time      1.9595: real time      1.9707
    EDDIAG:  cpu time    570.3795: real time    574.9615
    CHARGE:  cpu time      0.2647: real time      0.2666
 writing wavefunctions
     LOOP+:  cpu time   7897.8322: real time   7962.0269


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


    POTLOK:  cpu time      0.7222: real time      0.7280
    SETDIJ:  cpu time      1.2351: real time      1.2402
    TRIAL :  cpu time    573.7545: real time    578.4010
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.9908: real time    580.6510

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1404107E-04  (-0.1543619E-04)
 number of electron      15.0000000 magnetization      -0.0000171
 augmentation part       -0.0008354 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.15420692
  -Hartree energ DENC   =      -702.01447783
  -exchange      EXHF   =        33.27695765
  -V(xc)+E(xc)   XCENC  =       -83.54467851
  PAW double counting   =    100951.06676338  -100850.10872637
  entropy T*S    EENTRO =        -0.00545404
  eigenvalues    EBANDS =       -35.30770369
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90173222 eV

  energy without entropy =      -13.89627818  energy(sigma->0) =      -13.89991421
  exchange ACFDT corr.  =        -0.00537894  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7219: real time      0.7274
    SETDIJ:  cpu time      1.2316: real time      1.2371
    TRIAL :  cpu time    572.4141: real time    577.0234
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    574.6372: real time    579.2596

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6642658E-05  (-0.1301913E-04)
 number of electron      15.0000000 magnetization      -0.0000167
 augmentation part       -0.0008352 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.15420692
  -Hartree energ DENC   =      -701.97766481
  -exchange      EXHF   =        33.27675339
  -V(xc)+E(xc)   XCENC  =       -83.54474936
  PAW double counting   =    100951.38722149  -100850.42917080
  entropy T*S    EENTRO =        -0.00545243
  eigenvalues    EBANDS =       -35.34426590
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90173886 eV

  energy without entropy =      -13.89628643  energy(sigma->0) =      -13.89992139
  exchange ACFDT corr.  =        -0.00537518  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7278
    SETDIJ:  cpu time      1.2336: real time      1.2387
    TRIAL :  cpu time    572.6470: real time    577.2575
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    571.6239: real time    576.2172
    CHARGE:  cpu time      0.2655: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time   1146.4971: real time   1155.7134

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8075542E-05  (-0.4938666E-05)
 number of electron      15.0000000 magnetization      -0.0000163
 augmentation part       -0.0008350 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.15420692
  -Hartree energ DENC   =      -701.96082925
  -exchange      EXHF   =        33.27652174
  -V(xc)+E(xc)   XCENC  =       -83.54480768
  PAW double counting   =    100952.62639039  -100851.66834792
  entropy T*S    EENTRO =        -0.00545168
  eigenvalues    EBANDS =       -35.36087165
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90174694 eV

  energy without entropy =      -13.89629526  energy(sigma->0) =      -13.89992971
  exchange ACFDT corr.  =        -0.00537296  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1600


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8876       2 -69.7798       3 -69.7825       4 -69.7828       5 -69.9045
 
 
 
 E-fermi :   3.1536     XC(G=0):  -5.1185     alpha+bet : -8.9779

 Fermi energy:         3.1535973845

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8977      1.00000
      2     -10.0018      1.00000
      3      -8.6280      1.00000
      4      -6.7573      1.00000
      5      -4.3287      1.00000
      6      -1.5891      1.00000
      7       1.6293      1.00000
      8       4.6387     -0.00000
      9       5.4150     -0.00000
     10       7.9299     -0.00000
     11       7.9952     -0.00000
     12      11.8939      0.00000
     13      12.1887      0.00000
     14      16.0626      0.00000
     15      16.2676      0.00000
     16      16.4942      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7928      1.00000
      3      -8.4179      1.00000
      4      -6.5454      1.00000
      5      -4.1127      1.00000
      6      -1.3790      1.00000
      7       1.8428      1.00000
      8       4.8214     -0.00000
      9       5.5893     -0.00000
     10       8.0978     -0.00000
     11       8.1601     -0.00000
     12      12.0214      0.00000
     13      12.2846      0.00000
     14      13.1147      0.00000
     15      13.8613      0.00000
     16      14.3768      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7928      1.00000
      3      -8.4179      1.00000
      4      -6.5454      1.00000
      5      -4.1127      1.00000
      6      -1.3790      1.00000
      7       1.8428      1.00000
      8       4.8214     -0.00000
      9       5.5893     -0.00000
     10       8.0978     -0.00000
     11       8.1601     -0.00000
     12      12.0214      0.00000
     13      12.2845      0.00000
     14      13.1146      0.00000
     15      13.8432      0.00000
     16      14.5608      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7928      1.00000
      3      -8.4179      1.00000
      4      -6.5454      1.00000
      5      -4.1127      1.00000
      6      -1.3790      1.00000
      7       1.8428      1.00000
      8       4.8214     -0.00000
      9       5.5893     -0.00000
     10       8.0978     -0.00000
     11       8.1601     -0.00000
     12      12.0214      0.00000
     13      12.2846      0.00000
     14      13.1146      0.00000
     15      13.8447      0.00000
     16      14.3721      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0638      1.00000
      2      -9.1655      1.00000
      3      -7.7873      1.00000
      4      -5.9099      1.00000
      5      -3.4659      1.00000
      6      -0.7499      1.00000
      7       2.4688      1.00001
      8       5.3526     -0.00000
      9       6.1071     -0.00000
     10       8.4814     -0.00000
     11       8.6309      0.00000
     12       9.7253      0.00000
     13      10.2606      0.00000
     14      11.3685      0.00000
     15      12.5079      0.00000
     16      12.7768      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0638      1.00000
      2      -9.1655      1.00000
      3      -7.7873      1.00000
      4      -5.9099      1.00000
      5      -3.4659      1.00000
      6      -0.7499      1.00000
      7       2.4688      1.00001
      8       5.3526     -0.00000
      9       6.1071     -0.00000
     10       8.4814     -0.00000
     11       8.6309      0.00000
     12       9.7253      0.00000
     13      10.2606      0.00000
     14      11.3685      0.00000
     15      12.5129      0.00000
     16      12.8212      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0638      1.00000
      2      -9.1655      1.00000
      3      -7.7873      1.00000
      4      -5.9099      1.00000
      5      -3.4659      1.00000
      6      -0.7499      1.00000
      7       2.4688      1.00001
      8       5.3526     -0.00000
      9       6.1071     -0.00000
     10       8.4814     -0.00000
     11       8.6309      0.00000
     12       9.7253      0.00000
     13      10.2607      0.00000
     14      11.3686      0.00000
     15      12.5130      0.00000
     16      12.8964      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0207      1.00000
      2      -8.1189      1.00000
      3      -6.7352      1.00000
      4      -4.8508      1.00000
      5      -2.3942      1.00000
      6       0.2875      1.00000
      7       3.4248     -0.03309
      8       5.6430     -0.00000
      9       6.5457     -0.00000
     10       6.8557     -0.00000
     11       7.0532     -0.00000
     12       8.0566     -0.00000
     13       9.4062      0.00000
     14       9.5846      0.00000
     15       9.8079      0.00000
     16      11.5942      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0207      1.00000
      2      -8.1189      1.00000
      3      -6.7352      1.00000
      4      -4.8508      1.00000
      5      -2.3942      1.00000
      6       0.2875      1.00000
      7       3.4248     -0.03309
      8       5.6430     -0.00000
      9       6.5457     -0.00000
     10       6.8557     -0.00000
     11       7.0532     -0.00000
     12       8.0566     -0.00000
     13       9.4062      0.00000
     14       9.5846      0.00000
     15       9.8079      0.00000
     16      11.6073      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0207      1.00000
      2      -8.1189      1.00000
      3      -6.7352      1.00000
      4      -4.8508      1.00000
      5      -2.3942      1.00000
      6       0.2875      1.00000
      7       3.4248     -0.03309
      8       5.6430     -0.00000
      9       6.5457     -0.00000
     10       6.8557     -0.00000
     11       7.0532     -0.00000
     12       8.0566     -0.00000
     13       9.4062      0.00000
     14       9.5846      0.00000
     15       9.8079      0.00000
     16      11.6543      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5580      1.00000
      2      -6.6508      1.00000
      3      -5.2601      1.00000
      4      -3.3719      1.00000
      5      -0.9288      1.00000
      6       1.5752      1.00000
      7       2.5413      1.00007
      8       3.5126     -0.01444
      9       4.7934     -0.00000
     10       5.1394     -0.00000
     11       6.5259     -0.00000
     12       7.6597     -0.00000
     13       8.2158     -0.00000
     14       8.7160      0.00000
     15      10.5210      0.00000
     16      10.8370      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5580      1.00000
      2      -6.6508      1.00000
      3      -5.2601      1.00000
      4      -3.3719      1.00000
      5      -0.9288      1.00000
      6       1.5752      1.00000
      7       2.5413      1.00007
      8       3.5126     -0.01444
      9       4.7934     -0.00000
     10       5.1394     -0.00000
     11       6.5259     -0.00000
     12       7.6597     -0.00000
     13       8.2158     -0.00000
     14       8.7160      0.00000
     15      10.5224      0.00000
     16      10.8363      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5580      1.00000
      2      -6.6508      1.00000
      3      -5.2601      1.00000
      4      -3.3719      1.00000
      5      -0.9288      1.00000
      6       1.5752      1.00000
      7       2.5413      1.00007
      8       3.5126     -0.01444
      9       4.7934     -0.00000
     10       5.1394     -0.00000
     11       6.5259     -0.00000
     12       7.6597     -0.00000
     13       8.2158     -0.00000
     14       8.7160      0.00000
     15      10.5212      0.00000
     16      10.8353      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6718      1.00000
      2      -4.7585      1.00000
      3      -3.3669      1.00000
      4      -1.5198      1.00000
      5      -0.6743      1.00000
      6       0.1058      1.00000
      7       1.1134      1.00000
      8       2.0117      1.00000
      9       3.6494     -0.00126
     10       3.7451     -0.00011
     11       5.9389     -0.00000
     12       6.7159     -0.00000
     13       8.2359     -0.00000
     14       9.2044      0.00000
     15       9.7558      0.00000
     16      10.6430      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6718      1.00000
      2      -4.7585      1.00000
      3      -3.3669      1.00000
      4      -1.5198      1.00000
      5      -0.6743      1.00000
      6       0.1058      1.00000
      7       1.1134      1.00000
      8       2.0117      1.00000
      9       3.6494     -0.00126
     10       3.7451     -0.00011
     11       5.9389     -0.00000
     12       6.7159     -0.00000
     13       8.2359     -0.00000
     14       9.2028      0.00000
     15       9.7557      0.00000
     16      10.4110      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6718      1.00000
      2      -4.7585      1.00000
      3      -3.3669      1.00000
      4      -1.5198      1.00000
      5      -0.6743      1.00000
      6       0.1058      1.00000
      7       1.1134      1.00000
      8       2.0117      1.00000
      9       3.6494     -0.00126
     10       3.7451     -0.00011
     11       5.9389     -0.00000
     12       6.7159     -0.00000
     13       8.2359     -0.00000
     14       9.2032      0.00000
     15       9.7555      0.00000
     16      10.5051      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3741      1.00000
      2      -3.3513      1.00000
      3      -2.4634      1.00000
      4      -2.4474      1.00000
      5      -1.3051      1.00000
      6      -0.9095      1.00000
      7       0.6411      1.00000
      8       1.3847      1.00000
      9       3.3914     -0.03529
     10       3.5299     -0.01126
     11       5.6763     -0.00000
     12       6.0181     -0.00000
     13       8.4145     -0.00000
     14       8.8670      0.00000
     15      10.2901      0.00000
     16      10.5524      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3741      1.00000
      2      -3.3513      1.00000
      3      -2.4634      1.00000
      4      -2.4474      1.00000
      5      -1.3051      1.00000
      6      -0.9095      1.00000
      7       0.6411      1.00000
      8       1.3847      1.00000
      9       3.3914     -0.03529
     10       3.5299     -0.01126
     11       5.6763     -0.00000
     12       6.0181     -0.00000
     13       8.4145     -0.00000
     14       8.8670      0.00000
     15      10.2760      0.00000
     16      10.6624      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3741      1.00000
      2      -3.3513      1.00000
      3      -2.4634      1.00000
      4      -2.4474      1.00000
      5      -1.3051      1.00000
      6      -0.9095      1.00000
      7       0.6411      1.00000
      8       1.3847      1.00000
      9       3.3914     -0.03529
     10       3.5299     -0.01126
     11       5.6763     -0.00000
     12       6.0181     -0.00000
     13       8.4145     -0.00000
     14       8.8669      0.00000
     15      10.2424      0.00000
     16      10.5564      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2723      1.00000
      2      -9.3746      1.00000
      3      -7.9975      1.00000
      4      -6.1218      1.00000
      5      -3.6813      1.00000
      6      -0.9593      1.00000
      7       2.2630      1.00000
      8       5.1802     -0.00000
      9       5.9360     -0.00000
     10       8.4223     -0.00000
     11       8.4679     -0.00000
     12      11.4255      0.00000
     13      11.4447      0.00000
     14      11.8818      0.00000
     15      12.0068      0.00000
     16      12.6764      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2723      1.00000
      2      -9.3746      1.00000
      3      -7.9975      1.00000
      4      -6.1218      1.00000
      5      -3.6813      1.00000
      6      -0.9593      1.00000
      7       2.2630      1.00000
      8       5.1802     -0.00000
      9       5.9360     -0.00000
     10       8.4223     -0.00000
     11       8.4679     -0.00000
     12      11.4247      0.00000
     13      11.4590      0.00000
     14      11.8856      0.00000
     15      12.0032      0.00000
     16      12.7071      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2723      1.00000
      2      -9.3746      1.00000
      3      -7.9975      1.00000
      4      -6.1218      1.00000
      5      -3.6813      1.00000
      6      -0.9593      1.00000
      7       2.2630      1.00000
      8       5.1802     -0.00000
      9       5.9360     -0.00000
     10       8.4223     -0.00000
     11       8.4679     -0.00000
     12      11.4252      0.00000
     13      11.4397      0.00000
     14      11.8870      0.00000
     15      12.0140      0.00000
     16      12.6705      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5377      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1243      1.00000
      7       3.0678      0.82523
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4229      0.00000
     14       9.8273      0.00000
     15      10.1778      0.00000
     16      10.7104      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5377      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1243      1.00000
      7       3.0678      0.82522
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4230      0.00000
     14       9.8272      0.00000
     15      10.1771      0.00000
     16      10.7092      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5377      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1243      1.00000
      7       3.0678      0.82523
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4229      0.00000
     14       9.8273      0.00000
     15      10.1776      0.00000
     16      10.7117      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5377      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1243      1.00000
      7       3.0678      0.82523
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4230      0.00000
     14       9.8273      0.00000
     15      10.1775      0.00000
     16      10.7087      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5377      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1243      1.00000
      7       3.0678      0.82523
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4230      0.00000
     14       9.8273      0.00000
     15      10.1785      0.00000
     16      10.7110      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5377      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1243      1.00000
      7       3.0678      0.82522
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4229      0.00000
     14       9.8274      0.00000
     15      10.1774      0.00000
     16      10.7072      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1854      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.8976      0.00000
     15       9.6097      0.00000
     16      10.2237      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1854      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9074      0.00000
     15       9.6739      0.00000
     16      10.1315      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1854      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9079      0.00000
     15       9.6438      0.00000
     16      10.2760      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1854      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9273      0.00000
     15       9.6069      0.00000
     16      10.2707      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1854      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9018      0.00000
     15       9.6009      0.00000
     16      10.1746      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1854      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9079      0.00000
     15      10.0118      0.00000
     16      10.2512      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9841      1.00050
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9780     -0.00000
     14       8.6615      0.00000
     15       9.1029      0.00000
     16       9.1264      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00050
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9787     -0.00000
     14       8.6591      0.00000
     15       9.1034      0.00000
     16       9.1257      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9841      1.00050
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9784     -0.00000
     14       8.6556      0.00000
     15       9.1029      0.00000
     16       9.1172      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9841      1.00050
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9780     -0.00000
     14       8.6565      0.00000
     15       9.1036      0.00000
     16       9.1210      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9841      1.00050
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9780     -0.00000
     14       8.6622      0.00000
     15       9.1041      0.00000
     16       9.1319      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00050
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9782     -0.00000
     14       8.6566      0.00000
     15       9.1052      0.00000
     16       9.1184      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9009      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8303      0.00000
     16       9.7110      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9009      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8300      0.00000
     16       9.7478      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9009      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0154     -0.00000
     15       8.8484      0.00000
     16       9.8124      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9009      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8301      0.00000
     16       9.7077      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9009      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0158     -0.00000
     15       8.8310      0.00000
     16       9.7028      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9009      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8350      0.00000
     16       9.7913      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3945      1.00000
      2      -7.4904      1.00000
      3      -6.1035      1.00000
      4      -4.2158      1.00000
      5      -1.7566      1.00000
      6       0.9016      1.00000
      7       3.9639     -0.00000
      8       6.0155     -0.00000
      9       6.4888     -0.00000
     10       7.2187     -0.00000
     11       7.3188     -0.00000
     12       7.4756     -0.00000
     13       7.6031     -0.00000
     14       8.3700     -0.00000
     15       8.7826      0.00000
     16      10.0729      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3945      1.00000
      2      -7.4904      1.00000
      3      -6.1035      1.00000
      4      -4.2158      1.00000
      5      -1.7566      1.00000
      6       0.9016      1.00000
      7       3.9639     -0.00000
      8       6.0155     -0.00000
      9       6.4888     -0.00000
     10       7.2187     -0.00000
     11       7.3188     -0.00000
     12       7.4756     -0.00000
     13       7.6030     -0.00000
     14       8.3690     -0.00000
     15       8.7367      0.00000
     16      10.0673      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3945      1.00000
      2      -7.4904      1.00000
      3      -6.1035      1.00000
      4      -4.2158      1.00000
      5      -1.7566      1.00000
      6       0.9016      1.00000
      7       3.9639     -0.00000
      8       6.0155     -0.00000
      9       6.4888     -0.00000
     10       7.2187     -0.00000
     11       7.3188     -0.00000
     12       7.4756     -0.00000
     13       7.6030     -0.00000
     14       8.3675     -0.00000
     15       8.7361      0.00000
     16      10.0570      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59183
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3487     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7591     -0.00000
     15       8.4227     -0.00000
     16       8.7601      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59182
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3487     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7592     -0.00000
     15       8.4233     -0.00000
     16       8.7638      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59183
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3487     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7591     -0.00000
     15       8.4245     -0.00000
     16       8.7613      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59183
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3487     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7592     -0.00000
     15       8.4261     -0.00000
     16       8.7611      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59183
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3487     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7594     -0.00000
     15       8.4222     -0.00000
     16       8.7640      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59182
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3487     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7592     -0.00000
     15       8.4232     -0.00000
     16       8.7596      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3935     -0.00000
     15       7.5303     -0.00000
     16       8.8519      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5304     -0.00000
     16       8.8525      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5303     -0.00000
     16       8.8531      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3934     -0.00000
     15       7.5303     -0.00000
     16       8.8754      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3934     -0.00000
     15       7.5304     -0.00000
     16       8.8844      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5305     -0.00000
     16       8.8984      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7254      1.00000
      3      -1.8355      1.00000
      4      -1.8297      1.00000
      5      -0.6911      1.00000
      6      -0.2964      1.00000
      7       1.2414      1.00000
      8       1.9760      1.00000
      9       3.7764     -0.00005
     10       3.9052     -0.00000
     11       4.7131     -0.00000
     12       5.7471     -0.00000
     13       6.3944     -0.00000
     14       6.7518     -0.00000
     15       7.1191     -0.00000
     16       8.8465      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7254      1.00000
      3      -1.8355      1.00000
      4      -1.8297      1.00000
      5      -0.6911      1.00000
      6      -0.2964      1.00000
      7       1.2414      1.00000
      8       1.9760      1.00000
      9       3.7764     -0.00005
     10       3.9052     -0.00000
     11       4.7131     -0.00000
     12       5.7471     -0.00000
     13       6.3944     -0.00000
     14       6.7518     -0.00000
     15       7.1191     -0.00000
     16       8.7811      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7254      1.00000
      3      -1.8355      1.00000
      4      -1.8297      1.00000
      5      -0.6911      1.00000
      6      -0.2964      1.00000
      7       1.2414      1.00000
      8       1.9760      1.00000
      9       3.7764     -0.00005
     10       3.9052     -0.00000
     11       4.7131     -0.00000
     12       5.7471     -0.00000
     13       6.3944     -0.00000
     14       6.7518     -0.00000
     15       7.1191     -0.00000
     16       8.7726      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2545      1.00000
      2      -4.3405      1.00000
      3      -2.9467      1.00000
      4      -1.0834      1.00000
      5       1.1534      1.00000
      6       2.0928      1.00000
      7       2.2544      1.00000
      8       2.9742      1.00993
      9       3.4285     -0.03256
     10       4.2197     -0.00000
     11       4.4835     -0.00000
     12       4.8481     -0.00000
     13       6.2119     -0.00000
     14       6.8539     -0.00000
     15       7.2607     -0.00000
     16       8.6951      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2545      1.00000
      2      -4.3405      1.00000
      3      -2.9467      1.00000
      4      -1.0834      1.00000
      5       1.1534      1.00000
      6       2.0928      1.00000
      7       2.2544      1.00000
      8       2.9742      1.00993
      9       3.4285     -0.03256
     10       4.2197     -0.00000
     11       4.4835     -0.00000
     12       4.8481     -0.00000
     13       6.2119     -0.00000
     14       6.8539     -0.00000
     15       7.2607     -0.00000
     16       8.7110      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2545      1.00000
      2      -4.3405      1.00000
      3      -2.9467      1.00000
      4      -1.0834      1.00000
      5       1.1534      1.00000
      6       2.0928      1.00000
      7       2.2544      1.00000
      8       2.9742      1.00993
      9       3.4285     -0.03256
     10       4.2197     -0.00000
     11       4.4835     -0.00000
     12       4.8481     -0.00000
     13       6.2119     -0.00000
     14       6.8539     -0.00000
     15       7.2607     -0.00000
     16       8.7114      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39134
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2311     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39138
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.3133     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39133
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2541     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39133
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2636     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39135
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2484     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39136
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.4346     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8859      1.00000
      2      -0.8667      1.00000
      3      -0.8425      1.00000
      4      -0.0343      1.00000
      5       0.0354      1.00000
      6       0.0450      1.00000
      7       1.0737      1.00000
      8       1.0922      1.00000
      9       1.7871      1.00000
     10       2.6825      1.00217
     11       4.0818     -0.00000
     12       4.1161     -0.00000
     13       5.9837     -0.00000
     14       6.0030     -0.00000
     15       6.0629     -0.00000
     16       8.0195     -0.00000
 Fermi energy:         3.1535973845

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8977      1.00000
      2     -10.0018      1.00000
      3      -8.6280      1.00000
      4      -6.7573      1.00000
      5      -4.3287      1.00000
      6      -1.5891      1.00000
      7       1.6292      1.00000
      8       4.6386     -0.00000
      9       5.4150     -0.00000
     10       7.9299     -0.00000
     11       7.9952     -0.00000
     12      11.8939      0.00000
     13      12.1887      0.00000
     14      16.0667      0.00000
     15      16.3928      0.00000
     16      16.6810      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7928      1.00000
      3      -8.4179      1.00000
      4      -6.5454      1.00000
      5      -4.1127      1.00000
      6      -1.3790      1.00000
      7       1.8428      1.00000
      8       4.8214     -0.00000
      9       5.5893     -0.00000
     10       8.0978     -0.00000
     11       8.1600     -0.00000
     12      12.0214      0.00000
     13      12.2846      0.00000
     14      13.1146      0.00000
     15      13.8438      0.00000
     16      14.3335      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7928      1.00000
      3      -8.4179      1.00000
      4      -6.5454      1.00000
      5      -4.1127      1.00000
      6      -1.3790      1.00000
      7       1.8428      1.00000
      8       4.8214     -0.00000
      9       5.5893     -0.00000
     10       8.0978     -0.00000
     11       8.1600     -0.00000
     12      12.0214      0.00000
     13      12.2846      0.00000
     14      13.1146      0.00000
     15      13.8434      0.00000
     16      14.3239      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7928      1.00000
      3      -8.4179      1.00000
      4      -6.5454      1.00000
      5      -4.1127      1.00000
      6      -1.3790      1.00000
      7       1.8428      1.00000
      8       4.8214     -0.00000
      9       5.5893     -0.00000
     10       8.0978     -0.00000
     11       8.1600     -0.00000
     12      12.0214      0.00000
     13      12.2845      0.00000
     14      13.1147      0.00000
     15      13.8502      0.00000
     16      14.3579      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0638      1.00000
      2      -9.1655      1.00000
      3      -7.7873      1.00000
      4      -5.9099      1.00000
      5      -3.4659      1.00000
      6      -0.7499      1.00000
      7       2.4688      1.00001
      8       5.3526     -0.00000
      9       6.1071     -0.00000
     10       8.4814     -0.00000
     11       8.6309      0.00000
     12       9.7253      0.00000
     13      10.2606      0.00000
     14      11.3686      0.00000
     15      12.5205      0.00000
     16      12.9085      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0638      1.00000
      2      -9.1655      1.00000
      3      -7.7873      1.00000
      4      -5.9099      1.00000
      5      -3.4659      1.00000
      6      -0.7499      1.00000
      7       2.4688      1.00001
      8       5.3526     -0.00000
      9       6.1071     -0.00000
     10       8.4814     -0.00000
     11       8.6309      0.00000
     12       9.7253      0.00000
     13      10.2606      0.00000
     14      11.3685      0.00000
     15      12.5082      0.00000
     16      12.7751      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0638      1.00000
      2      -9.1655      1.00000
      3      -7.7873      1.00000
      4      -5.9099      1.00000
      5      -3.4659      1.00000
      6      -0.7499      1.00000
      7       2.4688      1.00001
      8       5.3526     -0.00000
      9       6.1071     -0.00000
     10       8.4814     -0.00000
     11       8.6309      0.00000
     12       9.7253      0.00000
     13      10.2606      0.00000
     14      11.3685      0.00000
     15      12.5141      0.00000
     16      12.8437      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0207      1.00000
      2      -8.1189      1.00000
      3      -6.7352      1.00000
      4      -4.8508      1.00000
      5      -2.3942      1.00000
      6       0.2875      1.00000
      7       3.4248     -0.03309
      8       5.6430     -0.00000
      9       6.5457     -0.00000
     10       6.8557     -0.00000
     11       7.0532     -0.00000
     12       8.0566     -0.00000
     13       9.4062      0.00000
     14       9.5845      0.00000
     15       9.8079      0.00000
     16      11.5972      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0207      1.00000
      2      -8.1189      1.00000
      3      -6.7352      1.00000
      4      -4.8508      1.00000
      5      -2.3942      1.00000
      6       0.2875      1.00000
      7       3.4248     -0.03309
      8       5.6430     -0.00000
      9       6.5457     -0.00000
     10       6.8557     -0.00000
     11       7.0532     -0.00000
     12       8.0566     -0.00000
     13       9.4062      0.00000
     14       9.5846      0.00000
     15       9.8079      0.00000
     16      11.6290      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0207      1.00000
      2      -8.1189      1.00000
      3      -6.7352      1.00000
      4      -4.8508      1.00000
      5      -2.3942      1.00000
      6       0.2875      1.00000
      7       3.4248     -0.03309
      8       5.6430     -0.00000
      9       6.5457     -0.00000
     10       6.8557     -0.00000
     11       7.0532     -0.00000
     12       8.0566     -0.00000
     13       9.4062      0.00000
     14       9.5846      0.00000
     15       9.8079      0.00000
     16      11.6089      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5580      1.00000
      2      -6.6508      1.00000
      3      -5.2601      1.00000
      4      -3.3719      1.00000
      5      -0.9288      1.00000
      6       1.5752      1.00000
      7       2.5412      1.00007
      8       3.5126     -0.01444
      9       4.7934     -0.00000
     10       5.1394     -0.00000
     11       6.5259     -0.00000
     12       7.6597     -0.00000
     13       8.2158     -0.00000
     14       8.7160      0.00000
     15      10.5195      0.00000
     16      10.8368      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5580      1.00000
      2      -6.6508      1.00000
      3      -5.2601      1.00000
      4      -3.3719      1.00000
      5      -0.9288      1.00000
      6       1.5752      1.00000
      7       2.5412      1.00007
      8       3.5126     -0.01444
      9       4.7934     -0.00000
     10       5.1394     -0.00000
     11       6.5259     -0.00000
     12       7.6597     -0.00000
     13       8.2158     -0.00000
     14       8.7160      0.00000
     15      10.5245      0.00000
     16      10.8399      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5580      1.00000
      2      -6.6508      1.00000
      3      -5.2601      1.00000
      4      -3.3719      1.00000
      5      -0.9288      1.00000
      6       1.5752      1.00000
      7       2.5412      1.00007
      8       3.5126     -0.01444
      9       4.7934     -0.00000
     10       5.1394     -0.00000
     11       6.5259     -0.00000
     12       7.6597     -0.00000
     13       8.2158     -0.00000
     14       8.7160      0.00000
     15      10.5240      0.00000
     16      10.8445      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6718      1.00000
      2      -4.7585      1.00000
      3      -3.3669      1.00000
      4      -1.5198      1.00000
      5      -0.6744      1.00000
      6       0.1058      1.00000
      7       1.1134      1.00000
      8       2.0117      1.00000
      9       3.6494     -0.00126
     10       3.7451     -0.00011
     11       5.9389     -0.00000
     12       6.7159     -0.00000
     13       8.2359     -0.00000
     14       9.2029      0.00000
     15       9.7554      0.00000
     16      10.5235      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6718      1.00000
      2      -4.7585      1.00000
      3      -3.3669      1.00000
      4      -1.5198      1.00000
      5      -0.6744      1.00000
      6       0.1058      1.00000
      7       1.1134      1.00000
      8       2.0117      1.00000
      9       3.6494     -0.00126
     10       3.7451     -0.00011
     11       5.9389     -0.00000
     12       6.7159     -0.00000
     13       8.2359     -0.00000
     14       9.2031      0.00000
     15       9.7555      0.00000
     16      10.5736      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6718      1.00000
      2      -4.7585      1.00000
      3      -3.3669      1.00000
      4      -1.5198      1.00000
      5      -0.6744      1.00000
      6       0.1058      1.00000
      7       1.1134      1.00000
      8       2.0117      1.00000
      9       3.6494     -0.00126
     10       3.7451     -0.00011
     11       5.9389     -0.00000
     12       6.7159     -0.00000
     13       8.2359     -0.00000
     14       9.2029      0.00000
     15       9.7560      0.00000
     16      10.5770      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3741      1.00000
      2      -3.3513      1.00000
      3      -2.4634      1.00000
      4      -2.4474      1.00000
      5      -1.3051      1.00000
      6      -0.9095      1.00000
      7       0.6411      1.00000
      8       1.3847      1.00000
      9       3.3914     -0.03529
     10       3.5299     -0.01126
     11       5.6763     -0.00000
     12       6.0181     -0.00000
     13       8.4145     -0.00000
     14       8.8672      0.00000
     15      10.4525      0.00000
     16      10.9469      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3741      1.00000
      2      -3.3513      1.00000
      3      -2.4634      1.00000
      4      -2.4474      1.00000
      5      -1.3051      1.00000
      6      -0.9095      1.00000
      7       0.6411      1.00000
      8       1.3847      1.00000
      9       3.3914     -0.03529
     10       3.5299     -0.01126
     11       5.6763     -0.00000
     12       6.0181     -0.00000
     13       8.4145     -0.00000
     14       8.8669      0.00000
     15      10.3027      0.00000
     16      10.5895      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3741      1.00000
      2      -3.3513      1.00000
      3      -2.4634      1.00000
      4      -2.4474      1.00000
      5      -1.3051      1.00000
      6      -0.9095      1.00000
      7       0.6411      1.00000
      8       1.3847      1.00000
      9       3.3914     -0.03529
     10       3.5299     -0.01126
     11       5.6763     -0.00000
     12       6.0181     -0.00000
     13       8.4145     -0.00000
     14       8.8671      0.00000
     15      10.5440      0.00000
     16      11.2983      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2723      1.00000
      2      -9.3746      1.00000
      3      -7.9976      1.00000
      4      -6.1218      1.00000
      5      -3.6813      1.00000
      6      -0.9593      1.00000
      7       2.2630      1.00000
      8       5.1802     -0.00000
      9       5.9360     -0.00000
     10       8.4223     -0.00000
     11       8.4679     -0.00000
     12      11.4247      0.00000
     13      11.4404      0.00000
     14      11.8816      0.00000
     15      12.0143      0.00000
     16      12.6699      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2723      1.00000
      2      -9.3746      1.00000
      3      -7.9976      1.00000
      4      -6.1218      1.00000
      5      -3.6813      1.00000
      6      -0.9593      1.00000
      7       2.2630      1.00000
      8       5.1802     -0.00000
      9       5.9360     -0.00000
     10       8.4223     -0.00000
     11       8.4679     -0.00000
     12      11.4250      0.00000
     13      11.4387      0.00000
     14      11.8856      0.00000
     15      12.0151      0.00000
     16      12.6526      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2723      1.00000
      2      -9.3746      1.00000
      3      -7.9976      1.00000
      4      -6.1218      1.00000
      5      -3.6813      1.00000
      6      -0.9593      1.00000
      7       2.2630      1.00000
      8       5.1802     -0.00000
      9       5.9360     -0.00000
     10       8.4223     -0.00000
     11       8.4679     -0.00000
     12      11.4246      0.00000
     13      11.4393      0.00000
     14      11.8774      0.00000
     15      12.0572      0.00000
     16      12.7469      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5378      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1244      1.00000
      7       3.0678      0.82529
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4229      0.00000
     14       9.8273      0.00000
     15      10.1776      0.00000
     16      10.7073      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5378      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1244      1.00000
      7       3.0678      0.82529
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4229      0.00000
     14       9.8273      0.00000
     15      10.1794      0.00000
     16      10.7128      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5378      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1244      1.00000
      7       3.0678      0.82529
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4230      0.00000
     14       9.8274      0.00000
     15      10.1778      0.00000
     16      10.7072      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5378      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1244      1.00000
      7       3.0678      0.82529
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4230      0.00000
     14       9.8273      0.00000
     15      10.1771      0.00000
     16      10.7073      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5378      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1244      1.00000
      7       3.0678      0.82529
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4230      0.00000
     14       9.8272      0.00000
     15      10.1777      0.00000
     16      10.7075      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4381      1.00000
      2      -8.5378      1.00000
      3      -7.1563      1.00000
      4      -5.2744      1.00000
      5      -2.8216      1.00000
      6      -0.1244      1.00000
      7       3.0678      0.82529
      8       5.8305     -0.00000
      9       6.6042     -0.00000
     10       7.8541     -0.00000
     11       8.5747     -0.00000
     12       9.0048      0.00000
     13       9.4229      0.00000
     14       9.8272      0.00000
     15      10.1775      0.00000
     16      10.7069      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1855      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9067      0.00000
     15       9.5907      0.00000
     16      10.1306      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1855      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9139      0.00000
     15       9.6123      0.00000
     16      10.2138      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1855      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9153      0.00000
     15       9.5877      0.00000
     16      10.2048      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1855      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.9184      0.00000
     15       9.6055      0.00000
     16      10.2073      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1855      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.8956      0.00000
     15       9.6180      0.00000
     16      10.2834      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1855      1.00000
      2      -7.2806      1.00000
      3      -5.8926      1.00000
      4      -4.0045      1.00000
      5      -1.5470      1.00000
      6       1.0931      1.00000
      7       3.8119     -0.00002
      8       4.6795     -0.00000
      9       5.3936     -0.00000
     10       6.5022     -0.00000
     11       7.0938     -0.00000
     12       7.7000     -0.00000
     13       8.1811     -0.00000
     14       8.8928      0.00000
     15       9.5877      0.00000
     16      10.1963      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00051
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9780     -0.00000
     14       8.6589      0.00000
     15       9.1051      0.00000
     16       9.1329      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00051
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9783     -0.00000
     14       8.6596      0.00000
     15       9.1028      0.00000
     16       9.1254      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00051
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9790     -0.00000
     14       8.6556      0.00000
     15       9.1050      0.00000
     16       9.1218      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00051
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9780     -0.00000
     14       8.6556      0.00000
     15       9.1043      0.00000
     16       9.1211      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00051
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9786     -0.00000
     14       8.6558      0.00000
     15       9.1026      0.00000
     16       9.1178      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.6003      1.00000
      3      -4.2068      1.00000
      4      -2.3256      1.00000
      5       0.0204      1.00000
      6       0.9932      1.00000
      7       1.9663      1.00000
      8       2.9840      1.00051
      9       3.5157     -0.01388
     10       5.1964     -0.00000
     11       5.9111     -0.00000
     12       7.3298     -0.00000
     13       7.9780     -0.00000
     14       8.6580      0.00000
     15       9.1034      0.00000
     16       9.1203      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9010      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8356      0.00000
     16       9.7071      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9010      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8298      0.00000
     16       9.7128      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9010      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8298      0.00000
     16       9.7207      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9010      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8298      0.00000
     16       9.7063      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9010      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0155     -0.00000
     15       8.8304      0.00000
     16       9.7037      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4125      1.00000
      2      -3.4989      1.00000
      3      -2.1240      1.00000
      4      -1.9010      1.00000
      5      -1.0549      1.00000
      6      -0.3619      1.00000
      7       0.6374      1.00000
      8       2.2929      1.00000
      9       2.6684      1.00164
     10       4.7355     -0.00000
     11       4.9091     -0.00000
     12       7.0255     -0.00000
     13       7.4893     -0.00000
     14       8.0156     -0.00000
     15       8.8299      0.00000
     16       9.7465      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3945      1.00000
      2      -7.4904      1.00000
      3      -6.1035      1.00000
      4      -4.2158      1.00000
      5      -1.7566      1.00000
      6       0.9016      1.00000
      7       3.9639     -0.00000
      8       6.0155     -0.00000
      9       6.4887     -0.00000
     10       7.2187     -0.00000
     11       7.3188     -0.00000
     12       7.4756     -0.00000
     13       7.6030     -0.00000
     14       8.3695     -0.00000
     15       8.7362      0.00000
     16      10.0660      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3945      1.00000
      2      -7.4904      1.00000
      3      -6.1035      1.00000
      4      -4.2158      1.00000
      5      -1.7566      1.00000
      6       0.9016      1.00000
      7       3.9639     -0.00000
      8       6.0155     -0.00000
      9       6.4887     -0.00000
     10       7.2187     -0.00000
     11       7.3188     -0.00000
     12       7.4756     -0.00000
     13       7.6030     -0.00000
     14       8.3691     -0.00000
     15       8.7362      0.00000
     16      10.0655      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3945      1.00000
      2      -7.4904      1.00000
      3      -6.1035      1.00000
      4      -4.2158      1.00000
      5      -1.7566      1.00000
      6       0.9016      1.00000
      7       3.9639     -0.00000
      8       6.0155     -0.00000
      9       6.4887     -0.00000
     10       7.2187     -0.00000
     11       7.3188     -0.00000
     12       7.4755     -0.00000
     13       7.6030     -0.00000
     14       8.3677     -0.00000
     15       8.7364      0.00000
     16      10.0782      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59188
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3486     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7591     -0.00000
     15       8.4237     -0.00000
     16       8.7599      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59187
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3486     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7591     -0.00000
     15       8.4254     -0.00000
     16       8.7611      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59187
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3486     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7600     -0.00000
     15       8.4235     -0.00000
     16       8.7634      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59188
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3486     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7593     -0.00000
     15       8.4220     -0.00000
     16       8.7617      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59187
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3486     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7591     -0.00000
     15       8.4245     -0.00000
     16       8.7598      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9309      1.00000
      2      -6.0214      1.00000
      3      -4.6283      1.00000
      4      -2.7402      1.00000
      5      -0.3089      1.00000
      6       2.1599      1.00000
      7       3.1299      0.59187
      8       4.0874     -0.00000
      9       5.0859     -0.00000
     10       5.3486     -0.00000
     11       5.9032     -0.00000
     12       6.4736     -0.00000
     13       7.0123     -0.00000
     14       7.7591     -0.00000
     15       8.4223     -0.00000
     16       8.7633      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5306     -0.00000
     16       8.8568      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6243     -0.00000
     14       7.3933     -0.00000
     15       7.5310     -0.00000
     16       8.8467      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5303     -0.00000
     16       8.8551      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5304     -0.00000
     16       8.8634      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3933     -0.00000
     15       7.5304     -0.00000
     16       8.8724      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.1297      1.00000
      3      -2.7387      1.00000
      4      -0.9020      1.00000
      5      -0.0578      1.00000
      6       0.7078      1.00000
      7       1.7039      1.00000
      8       2.5830      1.00021
      9       4.0691     -0.00000
     10       4.2713     -0.00000
     11       4.8627     -0.00000
     12       5.7186     -0.00000
     13       6.6242     -0.00000
     14       7.3935     -0.00000
     15       7.5304     -0.00000
     16       8.8796      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7254      1.00000
      3      -1.8355      1.00000
      4      -1.8297      1.00000
      5      -0.6911      1.00000
      6      -0.2964      1.00000
      7       1.2414      1.00000
      8       1.9760      1.00000
      9       3.7764     -0.00005
     10       3.9052     -0.00000
     11       4.7131     -0.00000
     12       5.7470     -0.00000
     13       6.3944     -0.00000
     14       6.7518     -0.00000
     15       7.1191     -0.00000
     16       8.7169      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7254      1.00000
      3      -1.8355      1.00000
      4      -1.8297      1.00000
      5      -0.6911      1.00000
      6      -0.2964      1.00000
      7       1.2414      1.00000
      8       1.9760      1.00000
      9       3.7764     -0.00005
     10       3.9052     -0.00000
     11       4.7131     -0.00000
     12       5.7470     -0.00000
     13       6.3944     -0.00000
     14       6.7518     -0.00000
     15       7.1191     -0.00000
     16       8.6938      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7254      1.00000
      3      -1.8355      1.00000
      4      -1.8297      1.00000
      5      -0.6911      1.00000
      6      -0.2964      1.00000
      7       1.2414      1.00000
      8       1.9760      1.00000
      9       3.7764     -0.00005
     10       3.9052     -0.00000
     11       4.7131     -0.00000
     12       5.7470     -0.00000
     13       6.3944     -0.00000
     14       6.7518     -0.00000
     15       7.1191     -0.00000
     16       8.7407      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2545      1.00000
      2      -4.3405      1.00000
      3      -2.9467      1.00000
      4      -1.0834      1.00000
      5       1.1534      1.00000
      6       2.0928      1.00000
      7       2.2544      1.00000
      8       2.9742      1.00994
      9       3.4285     -0.03256
     10       4.2197     -0.00000
     11       4.4835     -0.00000
     12       4.8481     -0.00000
     13       6.2119     -0.00000
     14       6.8538     -0.00000
     15       7.2607     -0.00000
     16       8.6998      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2545      1.00000
      2      -4.3405      1.00000
      3      -2.9467      1.00000
      4      -1.0834      1.00000
      5       1.1534      1.00000
      6       2.0928      1.00000
      7       2.2544      1.00000
      8       2.9742      1.00994
      9       3.4285     -0.03256
     10       4.2197     -0.00000
     11       4.4835     -0.00000
     12       4.8481     -0.00000
     13       6.2119     -0.00000
     14       6.8539     -0.00000
     15       7.2607     -0.00000
     16       8.6952      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2545      1.00000
      2      -4.3405      1.00000
      3      -2.9467      1.00000
      4      -1.0834      1.00000
      5       1.1534      1.00000
      6       2.0928      1.00000
      7       2.2544      1.00000
      8       2.9742      1.00994
      9       3.4285     -0.03256
     10       4.2197     -0.00000
     11       4.4835     -0.00000
     12       4.8480     -0.00000
     13       6.2119     -0.00000
     14       6.8539     -0.00000
     15       7.2607     -0.00000
     16       8.6993      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39143
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2458     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39139
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2888     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39143
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2777     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39143
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.3407     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39141
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.2696     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1564      1.00000
      2      -2.2466      1.00000
      3      -0.8868      1.00000
      4      -0.6556      1.00000
      5       0.1683      1.00000
      6       0.8184      1.00000
      7       1.7491      1.00000
      8       1.8260      1.00000
      9       2.5426      1.00007
     10       3.1790      0.39140
     11       4.1354     -0.00000
     12       4.6556     -0.00000
     13       6.0498     -0.00000
     14       6.1542     -0.00000
     15       6.3729     -0.00000
     16       8.3236     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8859      1.00000
      2      -0.8667      1.00000
      3      -0.8425      1.00000
      4      -0.0343      1.00000
      5       0.0354      1.00000
      6       0.0450      1.00000
      7       1.0737      1.00000
      8       1.0922      1.00000
      9       1.7871      1.00000
     10       2.6825      1.00217
     11       4.0818     -0.00000
     12       4.1161     -0.00000
     13       5.9837     -0.00000
     14       6.0030     -0.00000
     15       6.0629     -0.00000
     16       8.0204     -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
115.810 -61.857  -0.000  -0.085  -0.000   0.000  -0.022   0.000
-61.857  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
 -0.085   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      0.0018
    FORHF :  cpu time    416.6114: real time    419.4817
    FORNL :  cpu time      0.4965: real time      0.5016
    FORCOR:  cpu time      1.9626: real time      1.9732
    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
 -----------------------------------------------------------------------------------------------
   -.352E-05 -.196E-05 0.183E+03   0.436E-13 0.276E-13 -.182E+03   0.401E-05 0.697E-06 -.125E+01
   0.289E-06 0.491E-05 0.912E+02   -.337E-14 0.203E-14 -.913E+02   -.621E-06 -.499E-05 0.202E+00
   0.172E-05 0.251E-05 -.492E-01   -.148E-12 -.881E-13 0.918E-01   -.255E-05 -.467E-05 -.915E-01
   -.149E-05 -.366E-05 -.925E+02   0.139E-12 0.865E-13 0.924E+02   0.332E-05 0.410E-05 0.108E+00
   0.115E-05 -.237E-05 -.181E+03   -.416E-13 -.250E-13 0.181E+03   -.935E-06 0.172E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   -.229E-05 -.578E-06 -.509E-02   -.971E-14 0.313E-14 0.000E+00   0.322E-05 -.314E-05 0.490E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000001     -0.122084
      0.00000      0.00000      2.33311        -0.000001      0.000001      0.139462
      1.42873      0.82488      4.66621        -0.000001     -0.000002     -0.045275
      2.85746      1.64976      6.97966         0.000002      0.000001      0.006959
      0.00000      0.00000      9.35599         0.000000      0.000000      0.020937
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000004     -0.005057


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90174694 eV

  energy  without entropy=      -13.89629526  energy(sigma->0) =      -13.89992971
 
 d Force = 0.2664138E-04[ 0.226E-04, 0.307E-04]  d Energy = 0.2631808E-04 0.323E-06
 d Force = 0.2190839E+00[ 0.219E+00, 0.219E+00]  d Ewald  = 0.2190839E+00-0.206E-09


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


    POTLOK:  cpu time      1.9590: real time      1.9697


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.235E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.6949
 eigenvalue spectrum of G is  1.9371  7.4526


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


    WAVPRE:  cpu time      0.0059: real time      0.0664
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0846: real time      0.0851
    POTLOK:  cpu time      1.9637: real time      1.9749
    EDDIAG:  cpu time    570.8049: real time    575.3731
    CHARGE:  cpu time      0.2641: real time      0.2665
 writing wavefunctions
     LOOP+:  cpu time   3292.2123: real time   3319.0587


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


    POTLOK:  cpu time      0.7214: real time      0.7268
    SETDIJ:  cpu time      1.2350: real time      1.2409
    TRIAL :  cpu time    574.2946: real time    578.9043
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    576.5299: real time    581.1540

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9010847E-03  (-0.1867454E-02)
 number of electron      15.0000000 magnetization      -0.0000133
 augmentation part       -0.0008721 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -701.20483953
  -exchange      EXHF   =        33.27222883
  -V(xc)+E(xc)   XCENC  =       -83.54619948
  PAW double counting   =    100920.48876077  -100819.53025068
  entropy T*S    EENTRO =        -0.00542248
  eigenvalues    EBANDS =       -34.97971678
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90083778 eV

  energy without entropy =      -13.89541529  energy(sigma->0) =      -13.89903028
  exchange ACFDT corr.  =        -0.00530730  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2340: real time      1.2394
    TRIAL :  cpu time    573.5302: real time    578.1657
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    575.7566: real time    580.4051

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1684357E-03  (-0.1489938E-02)
 number of electron      15.0000000 magnetization      -0.0000135
 augmentation part       -0.0008722 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.89495344
  -exchange      EXHF   =        33.27044736
  -V(xc)+E(xc)   XCENC  =       -83.54681981
  PAW double counting   =    100916.41122478  -100815.45267056
  entropy T*S    EENTRO =        -0.00540873
  eigenvalues    EBANDS =       -35.28742093
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90100621 eV

  energy without entropy =      -13.89559749  energy(sigma->0) =      -13.89920331
  exchange ACFDT corr.  =        -0.00530732  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7219: real time      0.7277
    SETDIJ:  cpu time      1.2368: real time      1.2419
    TRIAL :  cpu time    573.1081: real time    577.7382
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    575.3360: real time    579.9790

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6456470E-03  (-0.1207388E-03)
 number of electron      15.0000000 magnetization      -0.0000134
 augmentation part       -0.0008748 magnetization       0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.76252037
  -exchange      EXHF   =        33.26914887
  -V(xc)+E(xc)   XCENC  =       -83.54727833
  PAW double counting   =    100916.24657774  -100815.28801188
  entropy T*S    EENTRO =        -0.00540964
  eigenvalues    EBANDS =       -35.41876804
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90165186 eV

  energy without entropy =      -13.89624223  energy(sigma->0) =      -13.89984865
  exchange ACFDT corr.  =        -0.00527559  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7217: real time      0.7275
    SETDIJ:  cpu time      1.2335: real time      1.2386
    TRIAL :  cpu time    573.3648: real time    578.0089
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.5899: real time    580.2468

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7215168E-04  (-0.2992985E-03)
 number of electron      15.0000000 magnetization      -0.0000132
 augmentation part       -0.0008789 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.81047802
  -exchange      EXHF   =        33.26874769
  -V(xc)+E(xc)   XCENC  =       -83.54741987
  PAW double counting   =    100918.68409296  -100817.72557031
  entropy T*S    EENTRO =        -0.00540908
  eigenvalues    EBANDS =       -35.37029569
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90172401 eV

  energy without entropy =      -13.89631493  energy(sigma->0) =      -13.89992099
  exchange ACFDT corr.  =        -0.00527373  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7274
    SETDIJ:  cpu time      1.2325: real time      1.2379
    TRIAL :  cpu time    574.7641: real time    579.4072
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2646: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    576.9877: real time    581.6437

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4060367E-04  (-0.2007583E-03)
 number of electron      15.0000000 magnetization      -0.0000129
 augmentation part       -0.0008826 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.85618783
  -exchange      EXHF   =        33.26879853
  -V(xc)+E(xc)   XCENC  =       -83.54740750
  PAW double counting   =    100921.63555698  -100820.67713256
  entropy T*S    EENTRO =        -0.00539486
  eigenvalues    EBANDS =       -35.32459201
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90176462 eV

  energy without entropy =      -13.89636975  energy(sigma->0) =      -13.89996633
  exchange ACFDT corr.  =        -0.00527194  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7220: real time      0.7275
    SETDIJ:  cpu time      1.2313: real time      1.2367
    TRIAL :  cpu time    573.3678: real time    578.0074
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    575.5912: real time    580.2437

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9464868E-04  (-0.1575488E-04)
 number of electron      15.0000000 magnetization      -0.0000124
 augmentation part       -0.0008839 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.85178401
  -exchange      EXHF   =        33.26898429
  -V(xc)+E(xc)   XCENC  =       -83.54735233
  PAW double counting   =    100925.24808394  -100824.28964139
  entropy T*S    EENTRO =        -0.00538360
  eigenvalues    EBANDS =       -35.32936376
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90185927 eV

  energy without entropy =      -13.89647566  energy(sigma->0) =      -13.90006473
  exchange ACFDT corr.  =        -0.00526232  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7276
    SETDIJ:  cpu time      1.2330: real time      1.2395
    TRIAL :  cpu time    574.4434: real time    579.0806
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    576.6676: real time    581.3189

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7229362E-05  (-0.4756527E-04)
 number of electron      15.0000000 magnetization      -0.0000120
 augmentation part       -0.0008832 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.84095586
  -exchange      EXHF   =        33.26915119
  -V(xc)+E(xc)   XCENC  =       -83.54729593
  PAW double counting   =    100930.29905559  -100829.34065180
  entropy T*S    EENTRO =        -0.00537931
  eigenvalues    EBANDS =       -35.34039494
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90186650 eV

  energy without entropy =      -13.89648719  energy(sigma->0) =      -13.90007339
  exchange ACFDT corr.  =        -0.00525488  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7284
    SETDIJ:  cpu time      1.2397: real time      1.2453
    TRIAL :  cpu time    573.1296: real time    577.7557
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.3617: real time    580.0009

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8803152E-05  (-0.2671325E-04)
 number of electron      15.0000000 magnetization      -0.0000116
 augmentation part       -0.0008813 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.85744780
  -exchange      EXHF   =        33.26928569
  -V(xc)+E(xc)   XCENC  =       -83.54724500
  PAW double counting   =    100936.28438825  -100835.32599264
  entropy T*S    EENTRO =        -0.00537451
  eigenvalues    EBANDS =       -35.32409335
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90187530 eV

  energy without entropy =      -13.89650079  energy(sigma->0) =      -13.90008379
  exchange ACFDT corr.  =        -0.00525120  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2326: real time      1.2378
    TRIAL :  cpu time    573.8577: real time    578.4672
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    576.0817: real time    580.7038

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1388270E-04  (-0.3440955E-05)
 number of electron      15.0000000 magnetization      -0.0000112
 augmentation part       -0.0008787 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.87889311
  -exchange      EXHF   =        33.26934045
  -V(xc)+E(xc)   XCENC  =       -83.54722198
  PAW double counting   =    100942.42304546  -100841.46466834
  entropy T*S    EENTRO =        -0.00536934
  eigenvalues    EBANDS =       -35.30272601
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90188918 eV

  energy without entropy =      -13.89651984  energy(sigma->0) =      -13.90009940
  exchange ACFDT corr.  =        -0.00524734  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      6(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7276
    SETDIJ:  cpu time      1.2329: real time      1.2380
    TRIAL :  cpu time    573.4398: real time    578.0430
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    571.7258: real time    576.4308
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time   1147.3907: real time   1156.7115

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1831635E-05  (-0.8221051E-05)
 number of electron      15.0000000 magnetization      -0.0000108
 augmentation part       -0.0008763 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.02322461
  -Hartree energ DENC   =      -700.87443449
  -exchange      EXHF   =        33.26915692
  -V(xc)+E(xc)   XCENC  =       -83.54724390
  PAW double counting   =    100947.69112787  -100846.73274510
  entropy T*S    EENTRO =        -0.00536445
  eigenvalues    EBANDS =       -35.30710233
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90189101 eV

  energy without entropy =      -13.89652656  energy(sigma->0) =      -13.90010286
  exchange ACFDT corr.  =        -0.00524257  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0316


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8762       2 -69.7684       3 -69.7780       4 -69.7891       5 -69.9187
 
 
 
 E-fermi :   3.1536     XC(G=0):  -5.1195     alpha+bet : -8.9779

 Fermi energy:         3.1535871557

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8908      1.00000
      2      -9.9949      1.00000
      3      -8.6243      1.00000
      4      -6.7580      1.00000
      5      -4.3314      1.00000
      6      -1.5897      1.00000
      7       1.6233      1.00000
      8       4.6324     -0.00000
      9       5.4116     -0.00000
     10       7.9274     -0.00000
     11       7.9913     -0.00000
     12      11.8922      0.00000
     13      12.1855      0.00000
     14      16.0668      0.00000
     15      16.2425      0.00000
     16      16.4133      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7858      1.00000
      3      -8.4142      1.00000
      4      -6.5461      1.00000
      5      -4.1153      1.00000
      6      -1.3796      1.00000
      7       1.8369      1.00000
      8       4.8152     -0.00000
      9       5.5859     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0203      0.00000
     13      12.2817      0.00000
     14      13.1211      0.00000
     15      13.8585      0.00000
     16      14.3651      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7858      1.00000
      3      -8.4142      1.00000
      4      -6.5461      1.00000
      5      -4.1153      1.00000
      6      -1.3796      1.00000
      7       1.8369      1.00000
      8       4.8152     -0.00000
      9       5.5859     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0203      0.00000
     13      12.2817      0.00000
     14      13.1211      0.00000
     15      13.8491      0.00000
     16      14.5301      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7858      1.00000
      3      -8.4142      1.00000
      4      -6.5461      1.00000
      5      -4.1153      1.00000
      6      -1.3796      1.00000
      7       1.8369      1.00000
      8       4.8152     -0.00000
      9       5.5859     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0203      0.00000
     13      12.2817      0.00000
     14      13.1211      0.00000
     15      13.8500      0.00000
     16      14.3615      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1584      1.00000
      3      -7.7835      1.00000
      4      -5.9106      1.00000
      5      -3.4685      1.00000
      6      -0.7504      1.00000
      7       2.4631      1.00001
      8       5.3467     -0.00000
      9       6.1038     -0.00000
     10       8.4801     -0.00000
     11       8.6279      0.00000
     12       9.7305      0.00000
     13      10.2671      0.00000
     14      11.3721      0.00000
     15      12.5055      0.00000
     16      12.7758      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1584      1.00000
      3      -7.7835      1.00000
      4      -5.9106      1.00000
      5      -3.4685      1.00000
      6      -0.7504      1.00000
      7       2.4631      1.00001
      8       5.3467     -0.00000
      9       6.1038     -0.00000
     10       8.4801     -0.00000
     11       8.6279      0.00000
     12       9.7305      0.00000
     13      10.2671      0.00000
     14      11.3721      0.00000
     15      12.5099      0.00000
     16      12.8150      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1584      1.00000
      3      -7.7835      1.00000
      4      -5.9106      1.00000
      5      -3.4685      1.00000
      6      -0.7504      1.00000
      7       2.4631      1.00001
      8       5.3467     -0.00000
      9       6.1038     -0.00000
     10       8.4801     -0.00000
     11       8.6279      0.00000
     12       9.7305      0.00000
     13      10.2672      0.00000
     14      11.3721      0.00000
     15      12.5105      0.00000
     16      12.8840      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0136      1.00000
      2      -8.1118      1.00000
      3      -6.7313      1.00000
      4      -4.8513      1.00000
      5      -2.3967      1.00000
      6       0.2872      1.00000
      7       3.4202     -0.03385
      8       5.6459     -0.00000
      9       6.5444     -0.00000
     10       6.8614     -0.00000
     11       7.0506     -0.00000
     12       8.0603     -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      -9.0136      1.00000
      2      -8.1118      1.00000
      3      -6.7313      1.00000
      4      -4.8513      1.00000
      5      -2.3967      1.00000
      6       0.2872      1.00000
      7       3.4202     -0.03385
      8       5.6460     -0.00000
      9       6.5444     -0.00000
     10       6.8614     -0.00000
     11       7.0506     -0.00000
     12       8.0603     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6035      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0136      1.00000
      2      -8.1118      1.00000
      3      -6.7313      1.00000
      4      -4.8513      1.00000
      5      -2.3967      1.00000
      6       0.2872      1.00000
      7       3.4202     -0.03385
      8       5.6460     -0.00000
      9       6.5444     -0.00000
     10       6.8614     -0.00000
     11       7.0506     -0.00000
     12       8.0603     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6396      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5508      1.00000
      2      -6.6435      1.00000
      3      -5.2561      1.00000
      4      -3.3722      1.00000
      5      -0.9309      1.00000
      6       1.5766      1.00000
      7       2.5473      1.00008
      8       3.5193     -0.01350
      9       4.7967     -0.00000
     10       5.1361     -0.00000
     11       6.5257     -0.00000
     12       7.6543     -0.00000
     13       8.2127     -0.00000
     14       8.7143      0.00000
     15      10.5183      0.00000
     16      10.8337      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5508      1.00000
      2      -6.6435      1.00000
      3      -5.2561      1.00000
      4      -3.3722      1.00000
      5      -0.9309      1.00000
      6       1.5766      1.00000
      7       2.5473      1.00008
      8       3.5193     -0.01350
      9       4.7967     -0.00000
     10       5.1361     -0.00000
     11       6.5257     -0.00000
     12       7.6543     -0.00000
     13       8.2127     -0.00000
     14       8.7144      0.00000
     15      10.5192      0.00000
     16      10.8326      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5508      1.00000
      2      -6.6435      1.00000
      3      -5.2561      1.00000
      4      -3.3722      1.00000
      5      -0.9309      1.00000
      6       1.5766      1.00000
      7       2.5473      1.00008
      8       3.5193     -0.01350
      9       4.7967     -0.00000
     10       5.1361     -0.00000
     11       6.5257     -0.00000
     12       7.6543     -0.00000
     13       8.2127     -0.00000
     14       8.7143      0.00000
     15      10.5185      0.00000
     16      10.8312      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6645      1.00000
      2      -4.7511      1.00000
      3      -3.3627      1.00000
      4      -1.5196      1.00000
      5      -0.6669      1.00000
      6       0.1119      1.00000
      7       1.1142      1.00000
      8       2.0143      1.00000
      9       3.6488     -0.00129
     10       3.7456     -0.00012
     11       5.9370     -0.00000
     12       6.7118     -0.00000
     13       8.2356     -0.00000
     14       9.1991      0.00000
     15       9.7526      0.00000
     16      10.6338      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6645      1.00000
      2      -4.7511      1.00000
      3      -3.3627      1.00000
      4      -1.5196      1.00000
      5      -0.6669      1.00000
      6       0.1119      1.00000
      7       1.1142      1.00000
      8       2.0142      1.00000
      9       3.6488     -0.00129
     10       3.7456     -0.00012
     11       5.9370     -0.00000
     12       6.7118     -0.00000
     13       8.2356     -0.00000
     14       9.1984      0.00000
     15       9.7525      0.00000
     16      10.4139      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6645      1.00000
      2      -4.7511      1.00000
      3      -3.3627      1.00000
      4      -1.5196      1.00000
      5      -0.6669      1.00000
      6       0.1119      1.00000
      7       1.1142      1.00000
      8       2.0143      1.00000
      9       3.6488     -0.00129
     10       3.7456     -0.00012
     11       5.9370     -0.00000
     12       6.7118     -0.00000
     13       8.2356     -0.00000
     14       9.1985      0.00000
     15       9.7523      0.00000
     16      10.4883      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3440      1.00000
      3      -2.4554      1.00000
      4      -2.4401      1.00000
      5      -1.3001      1.00000
      6      -0.9058      1.00000
      7       0.6410      1.00000
      8       1.3843      1.00000
      9       3.3889     -0.03507
     10       3.5285     -0.01180
     11       5.6762     -0.00000
     12       6.0181     -0.00000
     13       8.4105     -0.00000
     14       8.8644      0.00000
     15      10.2568      0.00000
     16      10.5465      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3440      1.00000
      3      -2.4554      1.00000
      4      -2.4401      1.00000
      5      -1.3001      1.00000
      6      -0.9058      1.00000
      7       0.6410      1.00000
      8       1.3843      1.00000
      9       3.3889     -0.03507
     10       3.5285     -0.01180
     11       5.6762     -0.00000
     12       6.0181     -0.00000
     13       8.4105     -0.00000
     14       8.8644      0.00000
     15      10.2656      0.00000
     16      10.6236      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3440      1.00000
      3      -2.4554      1.00000
      4      -2.4401      1.00000
      5      -1.3001      1.00000
      6      -0.9058      1.00000
      7       0.6410      1.00000
      8       1.3843      1.00000
      9       3.3889     -0.03507
     10       3.5285     -0.01180
     11       5.6762     -0.00000
     12       6.0181     -0.00000
     13       8.4105     -0.00000
     14       8.8644      0.00000
     15      10.2393      0.00000
     16      10.5470      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3676      1.00000
      3      -7.9938      1.00000
      4      -6.1224      1.00000
      5      -3.6839      1.00000
      6      -0.9599      1.00000
      7       2.2572      1.00000
      8       5.1741     -0.00000
      9       5.9326     -0.00000
     10       8.4201     -0.00000
     11       8.4643     -0.00000
     12      11.4313      0.00000
     13      11.4482      0.00000
     14      11.8840      0.00000
     15      12.0114      0.00000
     16      12.6709      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3676      1.00000
      3      -7.9938      1.00000
      4      -6.1224      1.00000
      5      -3.6839      1.00000
      6      -0.9599      1.00000
      7       2.2572      1.00000
      8       5.1741     -0.00000
      9       5.9326     -0.00000
     10       8.4201     -0.00000
     11       8.4643     -0.00000
     12      11.4310      0.00000
     13      11.4559      0.00000
     14      11.8865      0.00000
     15      12.0088      0.00000
     16      12.6903      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3676      1.00000
      3      -7.9938      1.00000
      4      -6.1224      1.00000
      5      -3.6839      1.00000
      6      -0.9599      1.00000
      7       2.2572      1.00000
      8       5.1741     -0.00000
      9       5.9326     -0.00000
     10       8.4201     -0.00000
     11       8.4643     -0.00000
     12      11.4312      0.00000
     13      11.4451      0.00000
     14      11.8875      0.00000
     15      12.0158      0.00000
     16      12.6663      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84298
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1827      0.00000
     16      10.7152      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84298
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1823      0.00000
     16      10.7144      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84298
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1826      0.00000
     16      10.7156      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84298
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1824      0.00000
     16      10.7140      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84298
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4218      0.00000
     14       9.8308      0.00000
     15      10.1830      0.00000
     16      10.7157      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84298
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8309      0.00000
     15      10.1824      0.00000
     16      10.7133      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9008      0.00000
     15       9.6034      0.00000
     16      10.2123      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9024      0.00000
     15       9.6285      0.00000
     16      10.1054      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9066      0.00000
     15       9.6232      0.00000
     16      10.2689      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9178      0.00000
     15       9.6045      0.00000
     16      10.2629      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9012      0.00000
     15       9.5987      0.00000
     16      10.1513      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9092      0.00000
     15       9.9952      0.00000
     16      10.2397      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2026      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9808     -0.00000
     14       8.6564      0.00000
     15       9.1019      0.00000
     16       9.1257      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2026      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9810     -0.00000
     14       8.6552      0.00000
     15       9.1017      0.00000
     16       9.1260      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2026      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9809     -0.00000
     14       8.6535      0.00000
     15       9.1016      0.00000
     16       9.1203      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2026      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9808     -0.00000
     14       8.6539      0.00000
     15       9.1018      0.00000
     16       9.1229      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2026      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9808     -0.00000
     14       8.6570      0.00000
     15       9.1018      0.00000
     16       9.1300      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2026      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9808     -0.00000
     14       8.6539      0.00000
     15       9.1031      0.00000
     16       9.1211      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0171     -0.00000
     15       8.8349      0.00000
     16       9.7069      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0171     -0.00000
     15       8.8347      0.00000
     16       9.7335      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0170     -0.00000
     15       8.8442      0.00000
     16       9.7718      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0170     -0.00000
     15       8.8347      0.00000
     16       9.7030      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0171     -0.00000
     15       8.8352      0.00000
     16       9.6999      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0171     -0.00000
     15       8.8372      0.00000
     16       9.7647      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3874      1.00000
      2      -7.4832      1.00000
      3      -6.0995      1.00000
      4      -4.2162      1.00000
      5      -1.7590      1.00000
      6       0.9015      1.00000
      7       3.9600     -0.00000
      8       6.0188     -0.00000
      9       6.4945     -0.00000
     10       7.2244     -0.00000
     11       7.3185     -0.00000
     12       7.4824     -0.00000
     13       7.6006     -0.00000
     14       8.3725     -0.00000
     15       8.7625      0.00000
     16      10.0646      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3874      1.00000
      2      -7.4832      1.00000
      3      -6.0995      1.00000
      4      -4.2162      1.00000
      5      -1.7590      1.00000
      6       0.9015      1.00000
      7       3.9600     -0.00000
      8       6.0188     -0.00000
      9       6.4945     -0.00000
     10       7.2244     -0.00000
     11       7.3185     -0.00000
     12       7.4824     -0.00000
     13       7.6006     -0.00000
     14       8.3719     -0.00000
     15       8.7397      0.00000
     16      10.0640      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3874      1.00000
      2      -7.4832      1.00000
      3      -6.0995      1.00000
      4      -4.2162      1.00000
      5      -1.7590      1.00000
      6       0.9015      1.00000
      7       3.9600     -0.00000
      8       6.0188     -0.00000
      9       6.4945     -0.00000
     10       7.2244     -0.00000
     11       7.3185     -0.00000
     12       7.4824     -0.00000
     13       7.6006     -0.00000
     14       8.3713     -0.00000
     15       8.7394      0.00000
     16      10.0553      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1361      0.57846
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4178     -0.00000
     16       8.7569      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1361      0.57846
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4180     -0.00000
     16       8.7595      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1361      0.57846
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4189     -0.00000
     16       8.7577      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1361      0.57846
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7604     -0.00000
     15       8.4199     -0.00000
     16       8.7576      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1361      0.57846
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4175     -0.00000
     16       8.7597      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1361      0.57846
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4179     -0.00000
     16       8.7565      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3951     -0.00000
     15       7.5269     -0.00000
     16       8.8516      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5270     -0.00000
     16       8.8502      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5269     -0.00000
     16       8.8517      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5269     -0.00000
     16       8.8737      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5270     -0.00000
     16       8.8839      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5270     -0.00000
     16       8.8874      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7181      1.00000
      3      -1.8283      1.00000
      4      -1.8216      1.00000
      5      -0.6860      1.00000
      6      -0.2926      1.00000
      7       1.2413      1.00000
      8       1.9758      1.00000
      9       3.7759     -0.00005
     10       3.9058     -0.00000
     11       4.7184     -0.00000
     12       5.7511     -0.00000
     13       6.3944     -0.00000
     14       6.7529     -0.00000
     15       7.1223     -0.00000
     16       8.8045      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7181      1.00000
      3      -1.8283      1.00000
      4      -1.8216      1.00000
      5      -0.6860      1.00000
      6      -0.2926      1.00000
      7       1.2413      1.00000
      8       1.9758      1.00000
      9       3.7759     -0.00005
     10       3.9058     -0.00000
     11       4.7184     -0.00000
     12       5.7511     -0.00000
     13       6.3944     -0.00000
     14       6.7529     -0.00000
     15       7.1223     -0.00000
     16       8.7603      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7181      1.00000
      3      -1.8283      1.00000
      4      -1.8216      1.00000
      5      -0.6860      1.00000
      6      -0.2926      1.00000
      7       1.2413      1.00000
      8       1.9758      1.00000
      9       3.7759     -0.00005
     10       3.9058     -0.00000
     11       4.7184     -0.00000
     12       5.7511     -0.00000
     13       6.3944     -0.00000
     14       6.7529     -0.00000
     15       7.1223     -0.00000
     16       8.7538      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2472      1.00000
      2      -4.3330      1.00000
      3      -2.9424      1.00000
      4      -1.0833      1.00000
      5       1.1531      1.00000
      6       2.1002      1.00000
      7       2.2617      1.00000
      8       2.9809      1.00537
      9       3.4349     -0.03167
     10       4.2231     -0.00000
     11       4.4858     -0.00000
     12       4.8511     -0.00000
     13       6.2117     -0.00000
     14       6.8535     -0.00000
     15       7.2561     -0.00000
     16       8.6918      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2472      1.00000
      2      -4.3330      1.00000
      3      -2.9424      1.00000
      4      -1.0833      1.00000
      5       1.1531      1.00000
      6       2.1002      1.00000
      7       2.2617      1.00000
      8       2.9809      1.00537
      9       3.4349     -0.03167
     10       4.2231     -0.00000
     11       4.4858     -0.00000
     12       4.8511     -0.00000
     13       6.2117     -0.00000
     14       6.8535     -0.00000
     15       7.2561     -0.00000
     16       8.7045      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2472      1.00000
      2      -4.3330      1.00000
      3      -2.9424      1.00000
      4      -1.0833      1.00000
      5       1.1531      1.00000
      6       2.1002      1.00000
      7       2.2617      1.00000
      8       2.9809      1.00537
      9       3.4349     -0.03167
     10       4.2231     -0.00000
     11       4.4858     -0.00000
     12       4.8511     -0.00000
     13       6.2117     -0.00000
     14       6.8535     -0.00000
     15       7.2561     -0.00000
     16       8.7074      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38880
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2293     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38884
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2988     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38879
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2466     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38880
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2548     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38882
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2436     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38883
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.4300     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8779      1.00000
      2      -0.8593      1.00000
      3      -0.8353      1.00000
      4      -0.0271      1.00000
      5       0.0442      1.00000
      6       0.0523      1.00000
      7       1.0771      1.00000
      8       1.0996      1.00000
      9       1.7895      1.00000
     10       2.6827      1.00214
     11       4.0757     -0.00000
     12       4.1208     -0.00000
     13       5.9791     -0.00000
     14       6.0026     -0.00000
     15       6.0618     -0.00000
     16       8.0179     -0.00000
 Fermi energy:         3.1535871557

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8908      1.00000
      2      -9.9949      1.00000
      3      -8.6243      1.00000
      4      -6.7580      1.00000
      5      -4.3314      1.00000
      6      -1.5897      1.00000
      7       1.6233      1.00000
      8       4.6324     -0.00000
      9       5.4116     -0.00000
     10       7.9274     -0.00000
     11       7.9913     -0.00000
     12      11.8922      0.00000
     13      12.1855      0.00000
     14      16.0697      0.00000
     15      16.3691      0.00000
     16      16.5615      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7858      1.00000
      3      -8.4142      1.00000
      4      -6.5462      1.00000
      5      -4.1154      1.00000
      6      -1.3796      1.00000
      7       1.8368      1.00000
      8       4.8152     -0.00000
      9       5.5859     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0203      0.00000
     13      12.2817      0.00000
     14      13.1211      0.00000
     15      13.8492      0.00000
     16      14.3337      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7858      1.00000
      3      -8.4142      1.00000
      4      -6.5462      1.00000
      5      -4.1154      1.00000
      6      -1.3796      1.00000
      7       1.8368      1.00000
      8       4.8152     -0.00000
      9       5.5859     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0203      0.00000
     13      12.2817      0.00000
     14      13.1211      0.00000
     15      13.8490      0.00000
     16      14.3281      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7858      1.00000
      3      -8.4142      1.00000
      4      -6.5462      1.00000
      5      -4.1154      1.00000
      6      -1.3796      1.00000
      7       1.8368      1.00000
      8       4.8152     -0.00000
      9       5.5859     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0203      0.00000
     13      12.2816      0.00000
     14      13.1211      0.00000
     15      13.8521      0.00000
     16      14.3511      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1584      1.00000
      3      -7.7835      1.00000
      4      -5.9106      1.00000
      5      -3.4685      1.00000
      6      -0.7504      1.00000
      7       2.4631      1.00001
      8       5.3467     -0.00000
      9       6.1038     -0.00000
     10       8.4801     -0.00000
     11       8.6279      0.00000
     12       9.7305      0.00000
     13      10.2671      0.00000
     14      11.3721      0.00000
     15      12.5168      0.00000
     16      12.8879      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1584      1.00000
      3      -7.7835      1.00000
      4      -5.9106      1.00000
      5      -3.4685      1.00000
      6      -0.7504      1.00000
      7       2.4631      1.00001
      8       5.3467     -0.00000
      9       6.1038     -0.00000
     10       8.4801     -0.00000
     11       8.6279      0.00000
     12       9.7305      0.00000
     13      10.2671      0.00000
     14      11.3721      0.00000
     15      12.5059      0.00000
     16      12.7738      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1584      1.00000
      3      -7.7835      1.00000
      4      -5.9106      1.00000
      5      -3.4685      1.00000
      6      -0.7504      1.00000
      7       2.4631      1.00001
      8       5.3467     -0.00000
      9       6.1038     -0.00000
     10       8.4801     -0.00000
     11       8.6279      0.00000
     12       9.7305      0.00000
     13      10.2671      0.00000
     14      11.3721      0.00000
     15      12.5111      0.00000
     16      12.8351      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0136      1.00000
      2      -8.1118      1.00000
      3      -6.7313      1.00000
      4      -4.8513      1.00000
      5      -2.3967      1.00000
      6       0.2872      1.00000
      7       3.4201     -0.03385
      8       5.6459     -0.00000
      9       6.5444     -0.00000
     10       6.8614     -0.00000
     11       7.0506     -0.00000
     12       8.0603     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.5958      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0136      1.00000
      2      -8.1118      1.00000
      3      -6.7313      1.00000
      4      -4.8513      1.00000
      5      -2.3967      1.00000
      6       0.2872      1.00000
      7       3.4201     -0.03385
      8       5.6459     -0.00000
      9       6.5444     -0.00000
     10       6.8614     -0.00000
     11       7.0506     -0.00000
     12       8.0603     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6256      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0136      1.00000
      2      -8.1118      1.00000
      3      -6.7313      1.00000
      4      -4.8513      1.00000
      5      -2.3967      1.00000
      6       0.2872      1.00000
      7       3.4201     -0.03385
      8       5.6459     -0.00000
      9       6.5444     -0.00000
     10       6.8614     -0.00000
     11       7.0506     -0.00000
     12       8.0603     -0.00000
     13       9.4041      0.00000
     14       9.5824      0.00000
     15       9.8065      0.00000
     16      11.6067      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5508      1.00000
      2      -6.6435      1.00000
      3      -5.2561      1.00000
      4      -3.3722      1.00000
      5      -0.9309      1.00000
      6       1.5766      1.00000
      7       2.5473      1.00008
      8       3.5193     -0.01350
      9       4.7967     -0.00000
     10       5.1361     -0.00000
     11       6.5257     -0.00000
     12       7.6543     -0.00000
     13       8.2127     -0.00000
     14       8.7144      0.00000
     15      10.5171      0.00000
     16      10.8327      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5508      1.00000
      2      -6.6435      1.00000
      3      -5.2561      1.00000
      4      -3.3722      1.00000
      5      -0.9309      1.00000
      6       1.5766      1.00000
      7       2.5473      1.00008
      8       3.5193     -0.01350
      9       4.7967     -0.00000
     10       5.1361     -0.00000
     11       6.5257     -0.00000
     12       7.6543     -0.00000
     13       8.2127     -0.00000
     14       8.7143      0.00000
     15      10.5213      0.00000
     16      10.8357      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5508      1.00000
      2      -6.6435      1.00000
      3      -5.2561      1.00000
      4      -3.3722      1.00000
      5      -0.9309      1.00000
      6       1.5766      1.00000
      7       2.5473      1.00008
      8       3.5193     -0.01350
      9       4.7967     -0.00000
     10       5.1361     -0.00000
     11       6.5257     -0.00000
     12       7.6543     -0.00000
     13       8.2127     -0.00000
     14       8.7143      0.00000
     15      10.5207      0.00000
     16      10.8397      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6645      1.00000
      2      -4.7511      1.00000
      3      -3.3627      1.00000
      4      -1.5196      1.00000
      5      -0.6669      1.00000
      6       0.1119      1.00000
      7       1.1142      1.00000
      8       2.0142      1.00000
      9       3.6488     -0.00129
     10       3.7456     -0.00012
     11       5.9370     -0.00000
     12       6.7118     -0.00000
     13       8.2356     -0.00000
     14       9.1984      0.00000
     15       9.7523      0.00000
     16      10.5050      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6645      1.00000
      2      -4.7511      1.00000
      3      -3.3627      1.00000
      4      -1.5196      1.00000
      5      -0.6669      1.00000
      6       0.1119      1.00000
      7       1.1142      1.00000
      8       2.0142      1.00000
      9       3.6488     -0.00129
     10       3.7456     -0.00012
     11       5.9370     -0.00000
     12       6.7118     -0.00000
     13       8.2356     -0.00000
     14       9.1985      0.00000
     15       9.7524      0.00000
     16      10.5617      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6645      1.00000
      2      -4.7511      1.00000
      3      -3.3627      1.00000
      4      -1.5196      1.00000
      5      -0.6669      1.00000
      6       0.1119      1.00000
      7       1.1142      1.00000
      8       2.0142      1.00000
      9       3.6488     -0.00129
     10       3.7456     -0.00012
     11       5.9370     -0.00000
     12       6.7118     -0.00000
     13       8.2356     -0.00000
     14       9.1984      0.00000
     15       9.7527      0.00000
     16      10.5656      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3440      1.00000
      3      -2.4554      1.00000
      4      -2.4401      1.00000
      5      -1.3001      1.00000
      6      -0.9058      1.00000
      7       0.6410      1.00000
      8       1.3843      1.00000
      9       3.3889     -0.03507
     10       3.5285     -0.01180
     11       5.6762     -0.00000
     12       6.0181     -0.00000
     13       8.4105     -0.00000
     14       8.8645      0.00000
     15      10.4217      0.00000
     16      10.7192      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3440      1.00000
      3      -2.4554      1.00000
      4      -2.4401      1.00000
      5      -1.3001      1.00000
      6      -0.9058      1.00000
      7       0.6410      1.00000
      8       1.3843      1.00000
      9       3.3889     -0.03507
     10       3.5285     -0.01180
     11       5.6762     -0.00000
     12       6.0181     -0.00000
     13       8.4105     -0.00000
     14       8.8644      0.00000
     15      10.2809      0.00000
     16      10.5606      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3664      1.00000
      2      -3.3440      1.00000
      3      -2.4554      1.00000
      4      -2.4401      1.00000
      5      -1.3001      1.00000
      6      -0.9058      1.00000
      7       0.6410      1.00000
      8       1.3843      1.00000
      9       3.3889     -0.03507
     10       3.5285     -0.01180
     11       5.6762     -0.00000
     12       6.0181     -0.00000
     13       8.4105     -0.00000
     14       8.8645      0.00000
     15      10.5393      0.00000
     16      10.9321      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3676      1.00000
      3      -7.9938      1.00000
      4      -6.1225      1.00000
      5      -3.6839      1.00000
      6      -0.9599      1.00000
      7       2.2572      1.00000
      8       5.1741     -0.00000
      9       5.9326     -0.00000
     10       8.4201     -0.00000
     11       8.4643     -0.00000
     12      11.4310      0.00000
     13      11.4457      0.00000
     14      11.8842      0.00000
     15      12.0154      0.00000
     16      12.6638      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3676      1.00000
      3      -7.9938      1.00000
      4      -6.1225      1.00000
      5      -3.6839      1.00000
      6      -0.9599      1.00000
      7       2.2572      1.00000
      8       5.1741     -0.00000
      9       5.9326     -0.00000
     10       8.4201     -0.00000
     11       8.4643     -0.00000
     12      11.4311      0.00000
     13      11.4445      0.00000
     14      11.8871      0.00000
     15      12.0171      0.00000
     16      12.6491      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3676      1.00000
      3      -7.9938      1.00000
      4      -6.1225      1.00000
      5      -3.6839      1.00000
      6      -0.9599      1.00000
      7       2.2572      1.00000
      8       5.1741     -0.00000
      9       5.9326     -0.00000
     10       8.4201     -0.00000
     11       8.4643     -0.00000
     12      11.4309      0.00000
     13      11.4450      0.00000
     14      11.8816      0.00000
     15      12.0494      0.00000
     16      12.7349      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84301
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8309      0.00000
     15      10.1825      0.00000
     16      10.7134      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84301
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1834      0.00000
     16      10.7160      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84301
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8309      0.00000
     15      10.1826      0.00000
     16      10.7133      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84301
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4218      0.00000
     14       9.8309      0.00000
     15      10.1823      0.00000
     16      10.7135      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84301
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1826      0.00000
     16      10.7134      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4311      1.00000
      2      -8.5307      1.00000
      3      -7.1524      1.00000
      4      -5.2750      1.00000
      5      -2.8241      1.00000
      6      -0.1247      1.00000
      7       3.0625      0.84301
      8       5.8255     -0.00000
      9       6.6011     -0.00000
     10       7.8594     -0.00000
     11       8.5811     -0.00000
     12       9.0035      0.00000
     13       9.4217      0.00000
     14       9.8308      0.00000
     15      10.1824      0.00000
     16      10.7131      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0894     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9012      0.00000
     15       9.5940      0.00000
     16      10.1111      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0894     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9091      0.00000
     15       9.6059      0.00000
     16      10.2000      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0894     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9063      0.00000
     15       9.5928      0.00000
     16      10.1876      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0894     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.9114      0.00000
     15       9.6006      0.00000
     16      10.1889      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.8998      0.00000
     15       9.6129      0.00000
     16      10.2791      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1783      1.00000
      2      -7.2734      1.00000
      3      -5.8887      1.00000
      4      -4.0049      1.00000
      5      -1.5494      1.00000
      6       1.0932      1.00000
      7       3.8134     -0.00002
      8       4.6822     -0.00000
      9       5.3990     -0.00000
     10       6.5057     -0.00000
     11       7.0895     -0.00000
     12       7.6968     -0.00000
     13       8.1816     -0.00000
     14       8.8983      0.00000
     15       9.5930      0.00000
     16      10.1856      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2027      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00010
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9807     -0.00000
     14       8.6550      0.00000
     15       9.1025      0.00000
     16       9.1301      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2027      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9809     -0.00000
     14       8.6551      0.00000
     15       9.1015      0.00000
     16       9.1250      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2027      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00010
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6534      0.00000
     15       9.1027      0.00000
     16       9.1220      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2027      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00010
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9808     -0.00000
     14       8.6534      0.00000
     15       9.1020      0.00000
     16       9.1232      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2027      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00010
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9810     -0.00000
     14       8.6535      0.00000
     15       9.1016      0.00000
     16       9.1206      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5930      1.00000
      3      -4.2027      1.00000
      4      -2.3257      1.00000
      5       0.0194      1.00000
      6       1.0003      1.00000
      7       1.9723      1.00000
      8       2.9854      1.00009
      9       3.5192     -0.01338
     10       5.1966     -0.00000
     11       5.9072     -0.00000
     12       7.3293     -0.00000
     13       7.9808     -0.00000
     14       8.6548      0.00000
     15       9.1020      0.00000
     16       9.1221      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0170     -0.00000
     15       8.8376      0.00000
     16       9.7028      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0170     -0.00000
     15       8.8346      0.00000
     16       9.7074      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0170     -0.00000
     15       8.8346      0.00000
     16       9.7119      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0170     -0.00000
     15       8.8346      0.00000
     16       9.7022      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0171     -0.00000
     15       8.8348      0.00000
     16       9.7001      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4051      1.00000
      2      -3.4914      1.00000
      3      -2.1195      1.00000
      4      -1.8934      1.00000
      5      -1.0476      1.00000
      6      -0.3603      1.00000
      7       0.6400      1.00000
      8       2.2919      1.00000
      9       2.6674      1.00156
     10       4.7351     -0.00000
     11       4.9079     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0171     -0.00000
     15       8.8346      0.00000
     16       9.7323      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3874      1.00000
      2      -7.4832      1.00000
      3      -6.0995      1.00000
      4      -4.2162      1.00000
      5      -1.7590      1.00000
      6       0.9015      1.00000
      7       3.9600     -0.00000
      8       6.0188     -0.00000
      9       6.4945     -0.00000
     10       7.2244     -0.00000
     11       7.3185     -0.00000
     12       7.4824     -0.00000
     13       7.6006     -0.00000
     14       8.3721     -0.00000
     15       8.7394      0.00000
     16      10.0617      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3874      1.00000
      2      -7.4832      1.00000
      3      -6.0995      1.00000
      4      -4.2162      1.00000
      5      -1.7590      1.00000
      6       0.9015      1.00000
      7       3.9600     -0.00000
      8       6.0188     -0.00000
      9       6.4945     -0.00000
     10       7.2244     -0.00000
     11       7.3185     -0.00000
     12       7.4824     -0.00000
     13       7.6006     -0.00000
     14       8.3719     -0.00000
     15       8.7394      0.00000
     16      10.0585      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3874      1.00000
      2      -7.4832      1.00000
      3      -6.0995      1.00000
      4      -4.2162      1.00000
      5      -1.7590      1.00000
      6       0.9015      1.00000
      7       3.9600     -0.00000
      8       6.0188     -0.00000
      9       6.4945     -0.00000
     10       7.2244     -0.00000
     11       7.3185     -0.00000
     12       7.4824     -0.00000
     13       7.6006     -0.00000
     14       8.3713     -0.00000
     15       8.7395      0.00000
     16      10.0719      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1360      0.57849
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4186     -0.00000
     16       8.7567      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1360      0.57849
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4195     -0.00000
     16       8.7576      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1360      0.57849
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7606     -0.00000
     15       8.4181     -0.00000
     16       8.7592      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1360      0.57849
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4174     -0.00000
     16       8.7581      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1360      0.57849
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4190     -0.00000
     16       8.7567      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9237      1.00000
      2      -6.0141      1.00000
      3      -4.6242      1.00000
      4      -2.7405      1.00000
      5      -0.3108      1.00000
      6       2.1615      1.00000
      7       3.1360      0.57849
      8       4.0941     -0.00000
      9       5.0892     -0.00000
     10       5.3529     -0.00000
     11       5.9061     -0.00000
     12       6.4769     -0.00000
     13       7.0137     -0.00000
     14       7.7603     -0.00000
     15       8.4175     -0.00000
     16       8.7592      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5271     -0.00000
     16       8.8536      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5272     -0.00000
     16       8.8387      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5269     -0.00000
     16       8.8513      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5269     -0.00000
     16       8.8581      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3950     -0.00000
     15       7.5270     -0.00000
     16       8.8671      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0366      1.00000
      2      -4.1222      1.00000
      3      -2.7344      1.00000
      4      -0.9017      1.00000
      5      -0.0504      1.00000
      6       0.7139      1.00000
      7       1.7049      1.00000
      8       2.5858      1.00022
      9       4.0704     -0.00000
     10       4.2721     -0.00000
     11       4.8683     -0.00000
     12       5.7236     -0.00000
     13       6.6245     -0.00000
     14       7.3951     -0.00000
     15       7.5270     -0.00000
     16       8.8786      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7181      1.00000
      3      -1.8283      1.00000
      4      -1.8216      1.00000
      5      -0.6860      1.00000
      6      -0.2926      1.00000
      7       1.2413      1.00000
      8       1.9758      1.00000
      9       3.7758     -0.00005
     10       3.9058     -0.00000
     11       4.7183     -0.00000
     12       5.7511     -0.00000
     13       6.3944     -0.00000
     14       6.7529     -0.00000
     15       7.1223     -0.00000
     16       8.7038      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7181      1.00000
      3      -1.8283      1.00000
      4      -1.8217      1.00000
      5      -0.6860      1.00000
      6      -0.2926      1.00000
      7       1.2413      1.00000
      8       1.9758      1.00000
      9       3.7758     -0.00005
     10       3.9058     -0.00000
     11       4.7183     -0.00000
     12       5.7511     -0.00000
     13       6.3944     -0.00000
     14       6.7529     -0.00000
     15       7.1223     -0.00000
     16       8.6876      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7181      1.00000
      3      -1.8283      1.00000
      4      -1.8217      1.00000
      5      -0.6860      1.00000
      6      -0.2926      1.00000
      7       1.2413      1.00000
      8       1.9758      1.00000
      9       3.7758     -0.00005
     10       3.9058     -0.00000
     11       4.7183     -0.00000
     12       5.7511     -0.00000
     13       6.3944     -0.00000
     14       6.7529     -0.00000
     15       7.1223     -0.00000
     16       8.7271      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2472      1.00000
      2      -4.3330      1.00000
      3      -2.9424      1.00000
      4      -1.0833      1.00000
      5       1.1531      1.00000
      6       2.1002      1.00000
      7       2.2617      1.00000
      8       2.9809      1.00537
      9       3.4349     -0.03167
     10       4.2231     -0.00000
     11       4.4858     -0.00000
     12       4.8511     -0.00000
     13       6.2117     -0.00000
     14       6.8535     -0.00000
     15       7.2561     -0.00000
     16       8.6965      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2472      1.00000
      2      -4.3330      1.00000
      3      -2.9424      1.00000
      4      -1.0833      1.00000
      5       1.1531      1.00000
      6       2.1002      1.00000
      7       2.2617      1.00000
      8       2.9809      1.00537
      9       3.4349     -0.03167
     10       4.2231     -0.00000
     11       4.4858     -0.00000
     12       4.8511     -0.00000
     13       6.2117     -0.00000
     14       6.8535     -0.00000
     15       7.2561     -0.00000
     16       8.6921      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2472      1.00000
      2      -4.3330      1.00000
      3      -2.9424      1.00000
      4      -1.0833      1.00000
      5       1.1531      1.00000
      6       2.1002      1.00000
      7       2.2617      1.00000
      8       2.9809      1.00537
      9       3.4348     -0.03167
     10       4.2231     -0.00000
     11       4.4858     -0.00000
     12       4.8511     -0.00000
     13       6.2117     -0.00000
     14       6.8535     -0.00000
     15       7.2561     -0.00000
     16       8.6958      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38887
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2411     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38885
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2772     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38889
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2674     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38889
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.3179     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38887
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.2610     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1489      1.00000
      2      -2.2389      1.00000
      3      -0.8822      1.00000
      4      -0.6480      1.00000
      5       0.1757      1.00000
      6       0.8205      1.00000
      7       1.7555      1.00000
      8       1.8300      1.00000
      9       2.5489      1.00008
     10       3.1803      0.38886
     11       4.1348     -0.00000
     12       4.6571     -0.00000
     13       6.0492     -0.00000
     14       6.1537     -0.00000
     15       6.3716     -0.00000
     16       8.3089     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8779      1.00000
      2      -0.8593      1.00000
      3      -0.8353      1.00000
      4      -0.0271      1.00000
      5       0.0442      1.00000
      6       0.0523      1.00000
      7       1.0771      1.00000
      8       1.0995      1.00000
      9       1.7895      1.00000
     10       2.6827      1.00214
     11       4.0757     -0.00000
     12       4.1208     -0.00000
     13       5.9791     -0.00000
     14       6.0026     -0.00000
     15       6.0618     -0.00000
     16       8.0192     -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
115.800 -61.852  -0.000  -0.084  -0.000   0.000  -0.022   0.000
-61.852  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    416.2254: real time    419.0968
    FORNL :  cpu time      0.4944: real time      0.4996
    FORCOR:  cpu time      1.9591: real time      1.9697
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.412E-05 0.312E-05 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.422E-05 -.292E-05 -.125E+01
   0.310E-05 -.515E-06 0.912E+02   -.379E-14 0.176E-14 -.912E+02   -.468E-05 -.450E-07 0.198E+00
   -.911E-06 0.301E-05 -.125E+00   -.143E-12 -.789E-13 0.170E+00   0.246E-05 -.374E-05 -.862E-01
   0.515E-05 -.136E-04 -.925E+02   0.132E-12 0.759E-13 0.924E+02   -.563E-05 0.163E-04 0.139E+00
   0.149E-04 -.498E-05 -.181E+03   -.383E-13 -.232E-13 0.180E+03   -.150E-04 0.574E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.278E-04 -.137E-04 -.117E-01   -.971E-14 0.313E-14 0.000E+00   -.271E-04 0.153E-04 0.258E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.127809
      0.00000      0.00000      2.33311        -0.000002     -0.000001      0.134544
      1.42873      0.82488      4.66621         0.000001     -0.000001     -0.041734
      2.85746      1.64976      6.98077         0.000000      0.000002      0.023674
      0.00000      0.00000      9.36169         0.000000      0.000000      0.011325
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000002      0.015044


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90189101 eV

  energy  without entropy=      -13.89652656  energy(sigma->0) =      -13.90010286
 
 d Force = 0.1089867E-03[ 0.909E-04, 0.127E-03]  d Energy = 0.1440733E-03-0.351E-04
 d Force = 0.1130982E+01[ 0.113E+01, 0.113E+01]  d Ewald  = 0.1130982E+01-0.409E-07


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


    POTLOK:  cpu time      1.9616: real time      1.9723


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.332E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.7557
 eigenvalue spectrum of G is  1.7557  1.7557


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


    WAVPRE:  cpu time      0.0060: real time      0.0811
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0849
    POTLOK:  cpu time      1.9620: real time      1.9731
    EDDIAG:  cpu time    569.2842: real time    573.8290
    CHARGE:  cpu time      0.2641: real time      0.2661
 writing wavefunctions
     LOOP+:  cpu time   7324.4690: real time   7383.6642


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


    POTLOK:  cpu time      0.7232: real time      0.7287
    SETDIJ:  cpu time      1.2322: real time      1.2374
    TRIAL :  cpu time    574.7713: real time    579.3768
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    577.0060: real time    581.6250

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7930434E-03  (-0.3397619E-02)
 number of electron      15.0000000 magnetization      -0.0000083
 augmentation part       -0.0008829 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.51539025
  -exchange      EXHF   =        33.26799789
  -V(xc)+E(xc)   XCENC  =       -83.54762880
  PAW double counting   =    100942.86379678  -100841.90527256
  entropy T*S    EENTRO =        -0.00525052
  eigenvalues    EBANDS =       -35.28968016
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90109614 eV

  energy without entropy =      -13.89584561  energy(sigma->0) =      -13.89934596
  exchange ACFDT corr.  =        -0.00514842  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2327: real time      1.2379
    TRIAL :  cpu time    572.7624: real time    577.3555
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    574.9870: real time    579.5928

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3027691E-03  (-0.2761845E-02)
 number of electron      15.0000000 magnetization      -0.0000081
 augmentation part       -0.0008846 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.46642076
  -exchange      EXHF   =        33.26770657
  -V(xc)+E(xc)   XCENC  =       -83.54771492
  PAW double counting   =    100941.34410126  -100840.38558759
  entropy T*S    EENTRO =        -0.00523775
  eigenvalues    EBANDS =       -35.33795050
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90079337 eV

  energy without entropy =      -13.89555562  energy(sigma->0) =      -13.89904745
  exchange ACFDT corr.  =        -0.00515392  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7278
    SETDIJ:  cpu time      1.2313: real time      1.2364
    TRIAL :  cpu time    572.8017: real time    577.3855
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    575.0249: real time    579.6212

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1058894E-02  ( 0.3949144E-04)
 number of electron      15.0000000 magnetization      -0.0000078
 augmentation part       -0.0008862 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48011562
  -exchange      EXHF   =        33.26768200
  -V(xc)+E(xc)   XCENC  =       -83.54772472
  PAW double counting   =    100941.87544015  -100840.91694090
  entropy T*S    EENTRO =        -0.00523304
  eigenvalues    EBANDS =       -35.32527852
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90185226 eV

  energy without entropy =      -13.89661922  energy(sigma->0) =      -13.90010791
  exchange ACFDT corr.  =        -0.00514191  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7226: real time      0.7280
    SETDIJ:  cpu time      1.2319: real time      1.2371
    TRIAL :  cpu time    573.3949: real time    578.0004
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    575.6194: real time    580.2375

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5749088E-04  (-0.5713380E-03)
 number of electron      15.0000000 magnetization      -0.0000075
 augmentation part       -0.0008866 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.49136454
  -exchange      EXHF   =        33.26762042
  -V(xc)+E(xc)   XCENC  =       -83.54774084
  PAW double counting   =    100942.41299016  -100841.45448873
  entropy T*S    EENTRO =        -0.00523420
  eigenvalues    EBANDS =       -35.31390130
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90179477 eV

  energy without entropy =      -13.89656057  energy(sigma->0) =      -13.90005004
  exchange ACFDT corr.  =        -0.00513879  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7284
    SETDIJ:  cpu time      1.2316: real time      1.2368
    TRIAL :  cpu time    573.2516: real time    577.8344
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.4757: real time    580.0711

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2667613E-05  (-0.3539195E-03)
 number of electron      15.0000000 magnetization      -0.0000072
 augmentation part       -0.0008863 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48367975
  -exchange      EXHF   =        33.26750471
  -V(xc)+E(xc)   XCENC  =       -83.54777385
  PAW double counting   =    100943.70889137  -100842.75040359
  entropy T*S    EENTRO =        -0.00522628
  eigenvalues    EBANDS =       -35.32141990
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90179210 eV

  energy without entropy =      -13.89656582  energy(sigma->0) =      -13.90005001
  exchange ACFDT corr.  =        -0.00513884  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7271
    SETDIJ:  cpu time      1.2343: real time      1.2394
    TRIAL :  cpu time    572.1111: real time    576.6786
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    574.3361: real time    578.9163

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1476896E-03  ( 0.8944594E-05)
 number of electron      15.0000000 magnetization      -0.0000069
 augmentation part       -0.0008854 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48535818
  -exchange      EXHF   =        33.26749106
  -V(xc)+E(xc)   XCENC  =       -83.54777671
  PAW double counting   =    100946.30782719  -100845.34935606
  entropy T*S    EENTRO =        -0.00522103
  eigenvalues    EBANDS =       -35.31986391
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90193979 eV

  energy without entropy =      -13.89671876  energy(sigma->0) =      -13.90019945
  exchange ACFDT corr.  =        -0.00513253  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7278
    SETDIJ:  cpu time      1.2352: real time      1.2403
    TRIAL :  cpu time    572.9495: real time    577.5161
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.1768: real time    579.7561

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1693494E-04  (-0.9207743E-04)
 number of electron      15.0000000 magnetization      -0.0000067
 augmentation part       -0.0008841 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48192663
  -exchange      EXHF   =        33.26746785
  -V(xc)+E(xc)   XCENC  =       -83.54778160
  PAW double counting   =    100948.89007253  -100847.93158404
  entropy T*S    EENTRO =        -0.00521930
  eigenvalues    EBANDS =       -35.32327302
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90192286 eV

  energy without entropy =      -13.89670356  energy(sigma->0) =      -13.90018309
  exchange ACFDT corr.  =        -0.00512743  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7275
    SETDIJ:  cpu time      1.2330: real time      1.2381
    TRIAL :  cpu time    572.6544: real time    577.2201
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    574.8784: real time    579.4567

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5806854E-05  (-0.4334459E-04)
 number of electron      15.0000000 magnetization      -0.0000064
 augmentation part       -0.0008828 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.47773207
  -exchange      EXHF   =        33.26743666
  -V(xc)+E(xc)   XCENC  =       -83.54778791
  PAW double counting   =    100951.31628239  -100850.35778278
  entropy T*S    EENTRO =        -0.00521466
  eigenvalues    EBANDS =       -35.32744874
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90192867 eV

  energy without entropy =      -13.89671401  energy(sigma->0) =      -13.90019045
  exchange ACFDT corr.  =        -0.00512560  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2333: real time      1.2382
    TRIAL :  cpu time    572.7127: real time    577.3181
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    574.9385: real time    579.5563

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2005872E-04  ( 0.6443131E-06)
 number of electron      15.0000000 magnetization      -0.0000061
 augmentation part       -0.0008815 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48213235
  -exchange      EXHF   =        33.26744980
  -V(xc)+E(xc)   XCENC  =       -83.54778145
  PAW double counting   =    100953.91899060  -100852.96048426
  entropy T*S    EENTRO =        -0.00521083
  eigenvalues    EBANDS =       -35.32309949
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90194872 eV

  energy without entropy =      -13.89673789  energy(sigma->0) =      -13.90021178
  exchange ACFDT corr.  =        -0.00512206  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7277
    SETDIJ:  cpu time      1.2358: real time      1.2409
    TRIAL :  cpu time    574.1234: real time    578.6382
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    576.3509: real time    580.8781

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3294219E-05  (-0.1473228E-04)
 number of electron      15.0000000 magnetization      -0.0000059
 augmentation part       -0.0008803 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48314859
  -exchange      EXHF   =        33.26744920
  -V(xc)+E(xc)   XCENC  =       -83.54777999
  PAW double counting   =    100956.19601734  -100855.23751344
  entropy T*S    EENTRO =        -0.00520842
  eigenvalues    EBANDS =       -35.32208220
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90194543 eV

  energy without entropy =      -13.89673701  energy(sigma->0) =      -13.90020929
  exchange ACFDT corr.  =        -0.00511883  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      7(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7282
    SETDIJ:  cpu time      1.2345: real time      1.2396
    TRIAL :  cpu time    572.5701: real time    577.0402
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    570.5470: real time    575.1091
    CHARGE:  cpu time      0.2645: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time   1145.3435: real time   1154.3883

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1984517E-05  (-0.5045138E-05)
 number of electron      15.0000000 magnetization      -0.0000056
 augmentation part       -0.0008792 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.64893884
  -Hartree energ DENC   =      -700.48034837
  -exchange      EXHF   =        33.26742484
  -V(xc)+E(xc)   XCENC  =       -83.54778457
  PAW double counting   =    100958.12950368  -100857.17101405
  entropy T*S    EENTRO =        -0.00520515
  eigenvalues    EBANDS =       -35.32484892
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90194741 eV

  energy without entropy =      -13.89674227  energy(sigma->0) =      -13.90021236
  exchange ACFDT corr.  =        -0.00511629  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9343


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8965       2 -69.7855       3 -69.7818       4 -69.7769       5 -69.8987
 
 
 
 E-fermi :   3.1531     XC(G=0):  -5.1198     alpha+bet : -8.9779

 Fermi energy:         3.1530659417

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8917      1.00000
      2      -9.9971      1.00000
      3      -8.6251      1.00000
      4      -6.7581      1.00000
      5      -4.3339      1.00000
      6      -1.5913      1.00000
      7       1.6194      1.00000
      8       4.6320     -0.00000
      9       5.4128     -0.00000
     10       7.9282     -0.00000
     11       7.9908     -0.00000
     12      11.8921      0.00000
     13      12.1853      0.00000
     14      16.0653      0.00000
     15      16.2058      0.00000
     16      16.3402      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7881      1.00000
      3      -8.4150      1.00000
      4      -6.5463      1.00000
      5      -4.1179      1.00000
      6      -1.3812      1.00000
      7       1.8330      1.00000
      8       4.8148     -0.00000
      9       5.5872     -0.00000
     10       8.0962     -0.00000
     11       8.1558     -0.00000
     12      12.0202      0.00000
     13      12.2816      0.00000
     14      13.1200      0.00000
     15      13.8498      0.00000
     16      14.3494      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7881      1.00000
      3      -8.4150      1.00000
      4      -6.5463      1.00000
      5      -4.1179      1.00000
      6      -1.3812      1.00000
      7       1.8330      1.00000
      8       4.8148     -0.00000
      9       5.5872     -0.00000
     10       8.0962     -0.00000
     11       8.1558     -0.00000
     12      12.0202      0.00000
     13      12.2816      0.00000
     14      13.1199      0.00000
     15      13.8467      0.00000
     16      14.4779      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7881      1.00000
      3      -8.4150      1.00000
      4      -6.5463      1.00000
      5      -4.1179      1.00000
      6      -1.3812      1.00000
      7       1.8330      1.00000
      8       4.8148     -0.00000
      9       5.5872     -0.00000
     10       8.0962     -0.00000
     11       8.1558     -0.00000
     12      12.0202      0.00000
     13      12.2816      0.00000
     14      13.1199      0.00000
     15      13.8469      0.00000
     16      14.3477      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1607      1.00000
      3      -7.7844      1.00000
      4      -5.9107      1.00000
      5      -3.4710      1.00000
      6      -0.7519      1.00000
      7       2.4593      1.00001
      8       5.3462     -0.00000
      9       6.1050     -0.00000
     10       8.4803     -0.00000
     11       8.6281      0.00000
     12       9.7295      0.00000
     13      10.2654      0.00000
     14      11.3715      0.00000
     15      12.5045      0.00000
     16      12.7744      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1607      1.00000
      3      -7.7844      1.00000
      4      -5.9107      1.00000
      5      -3.4710      1.00000
      6      -0.7519      1.00000
      7       2.4593      1.00001
      8       5.3462     -0.00000
      9       6.1050     -0.00000
     10       8.4803     -0.00000
     11       8.6281      0.00000
     12       9.7295      0.00000
     13      10.2654      0.00000
     14      11.3715      0.00000
     15      12.5085      0.00000
     16      12.8108      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1607      1.00000
      3      -7.7844      1.00000
      4      -5.9107      1.00000
      5      -3.4710      1.00000
      6      -0.7519      1.00000
      7       2.4593      1.00001
      8       5.3462     -0.00000
      9       6.1050     -0.00000
     10       8.4803     -0.00000
     11       8.6281      0.00000
     12       9.7295      0.00000
     13      10.2654      0.00000
     14      11.3715      0.00000
     15      12.5093      0.00000
     16      12.8680      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1140      1.00000
      3      -6.7321      1.00000
      4      -4.8514      1.00000
      5      -2.3991      1.00000
      6       0.2859      1.00000
      7       3.4169     -0.03421
      8       5.6451     -0.00000
      9       6.5445     -0.00000
     10       6.8591     -0.00000
     11       7.0516     -0.00000
     12       8.0597     -0.00000
     13       9.4047      0.00000
     14       9.5826      0.00000
     15       9.8059      0.00000
     16      11.5908      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1140      1.00000
      3      -6.7321      1.00000
      4      -4.8514      1.00000
      5      -2.3991      1.00000
      6       0.2859      1.00000
      7       3.4169     -0.03421
      8       5.6451     -0.00000
      9       6.5445     -0.00000
     10       6.8591     -0.00000
     11       7.0516     -0.00000
     12       8.0597     -0.00000
     13       9.4047      0.00000
     14       9.5826      0.00000
     15       9.8059      0.00000
     16      11.5993      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1140      1.00000
      3      -6.7321      1.00000
      4      -4.8514      1.00000
      5      -2.3991      1.00000
      6       0.2859      1.00000
      7       3.4169     -0.03421
      8       5.6451     -0.00000
      9       6.5445     -0.00000
     10       6.8591     -0.00000
     11       7.0516     -0.00000
     12       8.0597     -0.00000
     13       9.4047      0.00000
     14       9.5826      0.00000
     15       9.8059      0.00000
     16      11.6286      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6457      1.00000
      3      -5.2569      1.00000
      4      -3.3722      1.00000
      5      -0.9332      1.00000
      6       1.5754      1.00000
      7       2.5470      1.00008
      8       3.5171     -0.01360
      9       4.7959     -0.00000
     10       5.1331     -0.00000
     11       6.5259     -0.00000
     12       7.6541     -0.00000
     13       8.2138     -0.00000
     14       8.7122      0.00000
     15      10.5178      0.00000
     16      10.8325      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6457      1.00000
      3      -5.2569      1.00000
      4      -3.3722      1.00000
      5      -0.9332      1.00000
      6       1.5754      1.00000
      7       2.5470      1.00008
      8       3.5171     -0.01360
      9       4.7959     -0.00000
     10       5.1331     -0.00000
     11       6.5259     -0.00000
     12       7.6541     -0.00000
     13       8.2138     -0.00000
     14       8.7122      0.00000
     15      10.5181      0.00000
     16      10.8314      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6457      1.00000
      3      -5.2569      1.00000
      4      -3.3722      1.00000
      5      -0.9332      1.00000
      6       1.5754      1.00000
      7       2.5470      1.00008
      8       3.5171     -0.01360
      9       4.7959     -0.00000
     10       5.1331     -0.00000
     11       6.5259     -0.00000
     12       7.6541     -0.00000
     13       8.2138     -0.00000
     14       8.7122      0.00000
     15      10.5179      0.00000
     16      10.8307      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6652      1.00000
      2      -4.7533      1.00000
      3      -3.3634      1.00000
      4      -1.5195      1.00000
      5      -0.6674      1.00000
      6       0.1098      1.00000
      7       1.1128      1.00000
      8       2.0131      1.00000
      9       3.6493     -0.00126
     10       3.7440     -0.00012
     11       5.9350     -0.00000
     12       6.7091     -0.00000
     13       8.2343     -0.00000
     14       9.1985      0.00000
     15       9.7538      0.00000
     16      10.6226      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6652      1.00000
      2      -4.7533      1.00000
      3      -3.3634      1.00000
      4      -1.5195      1.00000
      5      -0.6674      1.00000
      6       0.1098      1.00000
      7       1.1128      1.00000
      8       2.0131      1.00000
      9       3.6493     -0.00126
     10       3.7440     -0.00012
     11       5.9350     -0.00000
     12       6.7091     -0.00000
     13       8.2343     -0.00000
     14       9.1982      0.00000
     15       9.7537      0.00000
     16      10.4092      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6652      1.00000
      2      -4.7533      1.00000
      3      -3.3634      1.00000
      4      -1.5195      1.00000
      5      -0.6674      1.00000
      6       0.1098      1.00000
      7       1.1128      1.00000
      8       2.0131      1.00000
      9       3.6493     -0.00126
     10       3.7440     -0.00012
     11       5.9350     -0.00000
     12       6.7091     -0.00000
     13       8.2343     -0.00000
     14       9.1982      0.00000
     15       9.7536      0.00000
     16      10.4713      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3674      1.00000
      2      -3.3442      1.00000
      3      -2.4579      1.00000
      4      -2.4420      1.00000
      5      -1.3007      1.00000
      6      -0.9065      1.00000
      7       0.6415      1.00000
      8       1.3842      1.00000
      9       3.3874     -0.03501
     10       3.5256     -0.01208
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4078     -0.00000
     14       8.8625      0.00000
     15      10.2400      0.00000
     16      10.5424      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3674      1.00000
      2      -3.3442      1.00000
      3      -2.4579      1.00000
      4      -2.4420      1.00000
      5      -1.3007      1.00000
      6      -0.9065      1.00000
      7       0.6415      1.00000
      8       1.3842      1.00000
      9       3.3874     -0.03501
     10       3.5256     -0.01208
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4078     -0.00000
     14       8.8625      0.00000
     15      10.2495      0.00000
     16      10.5929      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3674      1.00000
      2      -3.3442      1.00000
      3      -2.4579      1.00000
      4      -2.4420      1.00000
      5      -1.3007      1.00000
      6      -0.9065      1.00000
      7       0.6415      1.00000
      8       1.3842      1.00000
      9       3.3874     -0.03501
     10       3.5256     -0.01208
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4078     -0.00000
     14       8.8625      0.00000
     15      10.2356      0.00000
     16      10.5406      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3699      1.00000
      3      -7.9946      1.00000
      4      -6.1226      1.00000
      5      -3.6864      1.00000
      6      -0.9614      1.00000
      7       2.2534      1.00000
      8       5.1737     -0.00000
      9       5.9338     -0.00000
     10       8.4209     -0.00000
     11       8.4639     -0.00000
     12      11.4298      0.00000
     13      11.4460      0.00000
     14      11.8817      0.00000
     15      12.0074      0.00000
     16      12.6656      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3699      1.00000
      3      -7.9946      1.00000
      4      -6.1226      1.00000
      5      -3.6864      1.00000
      6      -0.9614      1.00000
      7       2.2534      1.00000
      8       5.1737     -0.00000
      9       5.9338     -0.00000
     10       8.4209     -0.00000
     11       8.4639     -0.00000
     12      11.4297      0.00000
     13      11.4507      0.00000
     14      11.8833      0.00000
     15      12.0064      0.00000
     16      12.6779      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3699      1.00000
      3      -7.9946      1.00000
      4      -6.1226      1.00000
      5      -3.6864      1.00000
      6      -0.9614      1.00000
      7       2.2534      1.00000
      8       5.1737     -0.00000
      9       5.9338     -0.00000
     10       8.4209     -0.00000
     11       8.4639     -0.00000
     12      11.4299      0.00000
     13      11.4440      0.00000
     14      11.8839      0.00000
     15      12.0118      0.00000
     16      12.6641      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85230
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1814      0.00000
     16      10.7129      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85230
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1812      0.00000
     16      10.7119      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85230
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1813      0.00000
     16      10.7127      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85230
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1813      0.00000
     16      10.7119      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85230
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1814      0.00000
     16      10.7133      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85230
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1813      0.00000
     16      10.7116      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8119     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.8993      0.00000
     15       9.5959      0.00000
     16      10.2020      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8119     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.8990      0.00000
     15       9.6017      0.00000
     16      10.0849      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8119     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.9023      0.00000
     15       9.6083      0.00000
     16      10.2652      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8119     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.9086      0.00000
     15       9.5969      0.00000
     16      10.2588      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8119     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.8991      0.00000
     15       9.5928      0.00000
     16      10.1287      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8119     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.9041      0.00000
     15       9.9721      0.00000
     16      10.2273      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6548      0.00000
     15       9.1012      0.00000
     16       9.1228      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9798     -0.00000
     14       8.6542      0.00000
     15       9.1012      0.00000
     16       9.1224      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9798     -0.00000
     14       8.6534      0.00000
     15       9.1012      0.00000
     16       9.1193      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6536      0.00000
     15       9.1013      0.00000
     16       9.1209      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6548      0.00000
     15       9.1015      0.00000
     16       9.1245      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6537      0.00000
     15       9.1021      0.00000
     16       9.1196      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2913      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8318      0.00000
     16       9.7029      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2913      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8318      0.00000
     16       9.7244      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2913      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8367      0.00000
     16       9.7419      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2913      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8319      0.00000
     16       9.6987      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2913      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8319      0.00000
     16       9.6969      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2913      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8329      0.00000
     16       9.7459      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3882      1.00000
      2      -7.4855      1.00000
      3      -6.1003      1.00000
      4      -4.2162      1.00000
      5      -1.7614      1.00000
      6       0.9002      1.00000
      7       3.9571     -0.00000
      8       6.0179     -0.00000
      9       6.4941     -0.00000
     10       7.2231     -0.00000
     11       7.3188     -0.00000
     12       7.4790     -0.00000
     13       7.6016     -0.00000
     14       8.3714     -0.00000
     15       8.7436      0.00000
     16      10.0614      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3882      1.00000
      2      -7.4855      1.00000
      3      -6.1003      1.00000
      4      -4.2162      1.00000
      5      -1.7614      1.00000
      6       0.9002      1.00000
      7       3.9571     -0.00000
      8       6.0179     -0.00000
      9       6.4941     -0.00000
     10       7.2231     -0.00000
     11       7.3188     -0.00000
     12       7.4790     -0.00000
     13       7.6016     -0.00000
     14       8.3712     -0.00000
     15       8.7386      0.00000
     16      10.0636      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3882      1.00000
      2      -7.4855      1.00000
      3      -6.1003      1.00000
      4      -4.2162      1.00000
      5      -1.7614      1.00000
      6       0.9002      1.00000
      7       3.9571     -0.00000
      8       6.0179     -0.00000
      9       6.4941     -0.00000
     10       7.2231     -0.00000
     11       7.3188     -0.00000
     12       7.4790     -0.00000
     13       7.6016     -0.00000
     14       8.3711     -0.00000
     15       8.7386      0.00000
     16      10.0559      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57137
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4175     -0.00000
     16       8.7578      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57137
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4176     -0.00000
     16       8.7598      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57137
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4181     -0.00000
     16       8.7584      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57137
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4185     -0.00000
     16       8.7582      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57137
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7600     -0.00000
     15       8.4173     -0.00000
     16       8.7600      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57137
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4175     -0.00000
     16       8.7576      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8484      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8499      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8504      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8712      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8819      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8829      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7182      1.00000
      3      -1.8301      1.00000
      4      -1.8243      1.00000
      5      -0.6865      1.00000
      6      -0.2933      1.00000
      7       1.2419      1.00000
      8       1.9757      1.00000
      9       3.7742     -0.00005
     10       3.9038     -0.00000
     11       4.7172     -0.00000
     12       5.7498     -0.00000
     13       6.3937     -0.00000
     14       6.7509     -0.00000
     15       7.1219     -0.00000
     16       8.7795      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7182      1.00000
      3      -1.8301      1.00000
      4      -1.8243      1.00000
      5      -0.6865      1.00000
      6      -0.2933      1.00000
      7       1.2419      1.00000
      8       1.9757      1.00000
      9       3.7742     -0.00005
     10       3.9038     -0.00000
     11       4.7172     -0.00000
     12       5.7498     -0.00000
     13       6.3937     -0.00000
     14       6.7509     -0.00000
     15       7.1219     -0.00000
     16       8.7416      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7182      1.00000
      3      -1.8301      1.00000
      4      -1.8243      1.00000
      5      -0.6865      1.00000
      6      -0.2933      1.00000
      7       1.2419      1.00000
      8       1.9757      1.00000
      9       3.7742     -0.00005
     10       3.9038     -0.00000
     11       4.7172     -0.00000
     12       5.7498     -0.00000
     13       6.3937     -0.00000
     14       6.7509     -0.00000
     15       7.1219     -0.00000
     16       8.7365      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3352      1.00000
      3      -2.9431      1.00000
      4      -1.0832      1.00000
      5       1.1510      1.00000
      6       2.0991      1.00000
      7       2.2617      1.00000
      8       2.9795      1.00518
      9       3.4324     -0.03180
     10       4.2226     -0.00000
     11       4.4844     -0.00000
     12       4.8505     -0.00000
     13       6.2121     -0.00000
     14       6.8532     -0.00000
     15       7.2535     -0.00000
     16       8.6896      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3352      1.00000
      3      -2.9431      1.00000
      4      -1.0832      1.00000
      5       1.1510      1.00000
      6       2.0991      1.00000
      7       2.2617      1.00000
      8       2.9795      1.00518
      9       3.4324     -0.03180
     10       4.2226     -0.00000
     11       4.4844     -0.00000
     12       4.8505     -0.00000
     13       6.2121     -0.00000
     14       6.8532     -0.00000
     15       7.2535     -0.00000
     16       8.7004      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3352      1.00000
      3      -2.9431      1.00000
      4      -1.0832      1.00000
      5       1.1510      1.00000
      6       2.0991      1.00000
      7       2.2617      1.00000
      8       2.9795      1.00518
      9       3.4324     -0.03180
     10       4.2226     -0.00000
     11       4.4844     -0.00000
     12       4.8505     -0.00000
     13       6.2121     -0.00000
     14       6.8532     -0.00000
     15       7.2535     -0.00000
     16       8.7035      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38679
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2273     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38681
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2821     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38680
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2407     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38680
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2457     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38680
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2379     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38680
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.4243     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8800      1.00000
      2      -0.8587      1.00000
      3      -0.8353      1.00000
      4      -0.0284      1.00000
      5       0.0386      1.00000
      6       0.0524      1.00000
      7       1.0819      1.00000
      8       1.0936      1.00000
      9       1.7896      1.00000
     10       2.6829      1.00221
     11       4.0846     -0.00000
     12       4.1123     -0.00000
     13       5.9788     -0.00000
     14       5.9999     -0.00000
     15       6.0584     -0.00000
     16       8.0172     -0.00000
 Fermi energy:         3.1530659417

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8917      1.00000
      2      -9.9971      1.00000
      3      -8.6251      1.00000
      4      -6.7582      1.00000
      5      -4.3339      1.00000
      6      -1.5913      1.00000
      7       1.6194      1.00000
      8       4.6320     -0.00000
      9       5.4128     -0.00000
     10       7.9282     -0.00000
     11       7.9908     -0.00000
     12      11.8921      0.00000
     13      12.1853      0.00000
     14      16.0653      0.00000
     15      16.3312      0.00000
     16      16.4623      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7881      1.00000
      3      -8.4150      1.00000
      4      -6.5463      1.00000
      5      -4.1179      1.00000
      6      -1.3812      1.00000
      7       1.8329      1.00000
      8       4.8148     -0.00000
      9       5.5872     -0.00000
     10       8.0962     -0.00000
     11       8.1558     -0.00000
     12      12.0202      0.00000
     13      12.2816      0.00000
     14      13.1199      0.00000
     15      13.8472      0.00000
     16      14.3299      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7881      1.00000
      3      -8.4150      1.00000
      4      -6.5463      1.00000
      5      -4.1179      1.00000
      6      -1.3812      1.00000
      7       1.8329      1.00000
      8       4.8148     -0.00000
      9       5.5872     -0.00000
     10       8.0962     -0.00000
     11       8.1558     -0.00000
     12      12.0202      0.00000
     13      12.2816      0.00000
     14      13.1199      0.00000
     15      13.8471      0.00000
     16      14.3261      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7881      1.00000
      3      -8.4150      1.00000
      4      -6.5463      1.00000
      5      -4.1179      1.00000
      6      -1.3812      1.00000
      7       1.8329      1.00000
      8       4.8148     -0.00000
      9       5.5872     -0.00000
     10       8.0962     -0.00000
     11       8.1558     -0.00000
     12      12.0202      0.00000
     13      12.2816      0.00000
     14      13.1199      0.00000
     15      13.8483      0.00000
     16      14.3411      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1607      1.00000
      3      -7.7844      1.00000
      4      -5.9107      1.00000
      5      -3.4710      1.00000
      6      -0.7519      1.00000
      7       2.4593      1.00001
      8       5.3462     -0.00000
      9       6.1050     -0.00000
     10       8.4803     -0.00000
     11       8.6281      0.00000
     12       9.7295      0.00000
     13      10.2654      0.00000
     14      11.3715      0.00000
     15      12.5146      0.00000
     16      12.8677      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1607      1.00000
      3      -7.7844      1.00000
      4      -5.9107      1.00000
      5      -3.4710      1.00000
      6      -0.7519      1.00000
      7       2.4593      1.00001
      8       5.3462     -0.00000
      9       6.1050     -0.00000
     10       8.4803     -0.00000
     11       8.6281      0.00000
     12       9.7295      0.00000
     13      10.2654      0.00000
     14      11.3715      0.00000
     15      12.5051      0.00000
     16      12.7728      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0577      1.00000
      2      -9.1607      1.00000
      3      -7.7844      1.00000
      4      -5.9107      1.00000
      5      -3.4710      1.00000
      6      -0.7519      1.00000
      7       2.4593      1.00001
      8       5.3462     -0.00000
      9       6.1050     -0.00000
     10       8.4803     -0.00000
     11       8.6281      0.00000
     12       9.7295      0.00000
     13      10.2654      0.00000
     14      11.3715      0.00000
     15      12.5095      0.00000
     16      12.8294      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1140      1.00000
      3      -6.7321      1.00000
      4      -4.8514      1.00000
      5      -2.3991      1.00000
      6       0.2859      1.00000
      7       3.4169     -0.03421
      8       5.6451     -0.00000
      9       6.5445     -0.00000
     10       6.8591     -0.00000
     11       7.0516     -0.00000
     12       8.0597     -0.00000
     13       9.4047      0.00000
     14       9.5826      0.00000
     15       9.8059      0.00000
     16      11.5932      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1140      1.00000
      3      -6.7321      1.00000
      4      -4.8514      1.00000
      5      -2.3991      1.00000
      6       0.2859      1.00000
      7       3.4169     -0.03421
      8       5.6451     -0.00000
      9       6.5445     -0.00000
     10       6.8591     -0.00000
     11       7.0516     -0.00000
     12       8.0597     -0.00000
     13       9.4047      0.00000
     14       9.5826      0.00000
     15       9.8059      0.00000
     16      11.6195      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0145      1.00000
      2      -8.1140      1.00000
      3      -6.7321      1.00000
      4      -4.8514      1.00000
      5      -2.3991      1.00000
      6       0.2859      1.00000
      7       3.4169     -0.03421
      8       5.6451     -0.00000
      9       6.5445     -0.00000
     10       6.8591     -0.00000
     11       7.0516     -0.00000
     12       8.0597     -0.00000
     13       9.4047      0.00000
     14       9.5826      0.00000
     15       9.8059      0.00000
     16      11.6027      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6457      1.00000
      3      -5.2569      1.00000
      4      -3.3722      1.00000
      5      -0.9332      1.00000
      6       1.5754      1.00000
      7       2.5470      1.00008
      8       3.5171     -0.01360
      9       4.7959     -0.00000
     10       5.1331     -0.00000
     11       6.5259     -0.00000
     12       7.6541     -0.00000
     13       8.2138     -0.00000
     14       8.7122      0.00000
     15      10.5168      0.00000
     16      10.8314      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6457      1.00000
      3      -5.2569      1.00000
      4      -3.3722      1.00000
      5      -0.9332      1.00000
      6       1.5754      1.00000
      7       2.5470      1.00008
      8       3.5171     -0.01360
      9       4.7959     -0.00000
     10       5.1331     -0.00000
     11       6.5259     -0.00000
     12       7.6541     -0.00000
     13       8.2138     -0.00000
     14       8.7122      0.00000
     15      10.5201      0.00000
     16      10.8346      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6457      1.00000
      3      -5.2569      1.00000
      4      -3.3722      1.00000
      5      -0.9332      1.00000
      6       1.5754      1.00000
      7       2.5470      1.00008
      8       3.5171     -0.01360
      9       4.7959     -0.00000
     10       5.1331     -0.00000
     11       6.5259     -0.00000
     12       7.6541     -0.00000
     13       8.2138     -0.00000
     14       8.7122      0.00000
     15      10.5194      0.00000
     16      10.8371      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6652      1.00000
      2      -4.7533      1.00000
      3      -3.3634      1.00000
      4      -1.5195      1.00000
      5      -0.6674      1.00000
      6       0.1098      1.00000
      7       1.1128      1.00000
      8       2.0131      1.00000
      9       3.6493     -0.00126
     10       3.7440     -0.00012
     11       5.9350     -0.00000
     12       6.7091     -0.00000
     13       8.2343     -0.00000
     14       9.1982      0.00000
     15       9.7536      0.00000
     16      10.4860      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6652      1.00000
      2      -4.7533      1.00000
      3      -3.3634      1.00000
      4      -1.5195      1.00000
      5      -0.6674      1.00000
      6       0.1098      1.00000
      7       1.1128      1.00000
      8       2.0131      1.00000
      9       3.6493     -0.00126
     10       3.7440     -0.00012
     11       5.9350     -0.00000
     12       6.7091     -0.00000
     13       8.2343     -0.00000
     14       9.1982      0.00000
     15       9.7536      0.00000
     16      10.5411      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6652      1.00000
      2      -4.7533      1.00000
      3      -3.3634      1.00000
      4      -1.5195      1.00000
      5      -0.6674      1.00000
      6       0.1098      1.00000
      7       1.1128      1.00000
      8       2.0131      1.00000
      9       3.6493     -0.00126
     10       3.7440     -0.00012
     11       5.9350     -0.00000
     12       6.7091     -0.00000
     13       8.2343     -0.00000
     14       9.1982      0.00000
     15       9.7538      0.00000
     16      10.5481      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3674      1.00000
      2      -3.3442      1.00000
      3      -2.4579      1.00000
      4      -2.4420      1.00000
      5      -1.3007      1.00000
      6      -0.9065      1.00000
      7       0.6415      1.00000
      8       1.3842      1.00000
      9       3.3874     -0.03501
     10       3.5256     -0.01208
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4078     -0.00000
     14       8.8625      0.00000
     15      10.3376      0.00000
     16      10.6690      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3674      1.00000
      2      -3.3442      1.00000
      3      -2.4579      1.00000
      4      -2.4420      1.00000
      5      -1.3007      1.00000
      6      -0.9065      1.00000
      7       0.6415      1.00000
      8       1.3842      1.00000
      9       3.3874     -0.03501
     10       3.5256     -0.01208
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4078     -0.00000
     14       8.8625      0.00000
     15      10.2541      0.00000
     16      10.5484      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3674      1.00000
      2      -3.3442      1.00000
      3      -2.4579      1.00000
      4      -2.4420      1.00000
      5      -1.3007      1.00000
      6      -0.9065      1.00000
      7       0.6415      1.00000
      8       1.3842      1.00000
      9       3.3874     -0.03501
     10       3.5256     -0.01208
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4078     -0.00000
     14       8.8625      0.00000
     15      10.3599      0.00000
     16      10.5245      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3699      1.00000
      3      -7.9946      1.00000
      4      -6.1226      1.00000
      5      -3.6864      1.00000
      6      -0.9614      1.00000
      7       2.2534      1.00000
      8       5.1737     -0.00000
      9       5.9338     -0.00000
     10       8.4209     -0.00000
     11       8.4639     -0.00000
     12      11.4296      0.00000
     13      11.4441      0.00000
     14      11.8818      0.00000
     15      12.0106      0.00000
     16      12.6578      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3699      1.00000
      3      -7.9946      1.00000
      4      -6.1226      1.00000
      5      -3.6864      1.00000
      6      -0.9614      1.00000
      7       2.2534      1.00000
      8       5.1737     -0.00000
      9       5.9338     -0.00000
     10       8.4209     -0.00000
     11       8.4639     -0.00000
     12      11.4297      0.00000
     13      11.4437      0.00000
     14      11.8840      0.00000
     15      12.0111      0.00000
     16      12.6432      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2662      1.00000
      2      -9.3699      1.00000
      3      -7.9946      1.00000
      4      -6.1226      1.00000
      5      -3.6864      1.00000
      6      -0.9614      1.00000
      7       2.2534      1.00000
      8       5.1737     -0.00000
      9       5.9338     -0.00000
     10       8.4209     -0.00000
     11       8.4639     -0.00000
     12      11.4296      0.00000
     13      11.4443      0.00000
     14      11.8802      0.00000
     15      12.0369      0.00000
     16      12.7215      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85232
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1813      0.00000
     16      10.7116      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85232
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1817      0.00000
     16      10.7132      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85232
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1814      0.00000
     16      10.7115      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85232
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1812      0.00000
     16      10.7115      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85232
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1814      0.00000
     16      10.7117      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4319      1.00000
      2      -8.5329      1.00000
      3      -7.1532      1.00000
      4      -5.2750      1.00000
      5      -2.8266      1.00000
      6      -0.1262      1.00000
      7       3.0590      0.85232
      8       5.8249     -0.00000
      9       6.6024     -0.00000
     10       7.8592     -0.00000
     11       8.5787     -0.00000
     12       9.0039      0.00000
     13       9.4217      0.00000
     14       9.8300      0.00000
     15      10.1813      0.00000
     16      10.7114      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8118     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.8988      0.00000
     15       9.5908      0.00000
     16      10.0929      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8118     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.9030      0.00000
     15       9.5962      0.00000
     16      10.1884      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8118     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.9002      0.00000
     15       9.5906      0.00000
     16      10.1723      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8118     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.9031      0.00000
     15       9.5936      0.00000
     16      10.1725      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8118     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.8988      0.00000
     15       9.6013      0.00000
     16      10.2781      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1792      1.00000
      2      -7.2756      1.00000
      3      -5.8895      1.00000
      4      -4.0049      1.00000
      5      -1.5517      1.00000
      6       1.0919      1.00000
      7       3.8118     -0.00002
      8       4.6802     -0.00000
      9       5.3967     -0.00000
     10       6.5051     -0.00000
     11       7.0893     -0.00000
     12       7.6980     -0.00000
     13       8.1815     -0.00000
     14       8.8980      0.00000
     15       9.5905      0.00000
     16      10.1765      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6542      0.00000
     15       9.1024      0.00000
     16       9.1234      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9798     -0.00000
     14       8.6542      0.00000
     15       9.1012      0.00000
     16       9.1225      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9798     -0.00000
     14       8.6534      0.00000
     15       9.1019      0.00000
     16       9.1198      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6534      0.00000
     15       9.1015      0.00000
     16       9.1206      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9798     -0.00000
     14       8.6534      0.00000
     15       9.1011      0.00000
     16       9.1194      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5952      1.00000
      3      -4.2034      1.00000
      4      -2.3256      1.00000
      5       0.0173      1.00000
      6       0.9998      1.00000
      7       1.9707      1.00000
      8       2.9839      1.00042
      9       3.5186     -0.01346
     10       5.1966     -0.00000
     11       5.9046     -0.00000
     12       7.3274     -0.00000
     13       7.9797     -0.00000
     14       8.6539      0.00000
     15       9.1013      0.00000
     16       9.1205      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2912      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8330      0.00000
     16       9.6975      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2912      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8318      0.00000
     16       9.7037      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2912      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8318      0.00000
     16       9.7059      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2912      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8318      0.00000
     16       9.6983      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2912      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8318      0.00000
     16       9.6969      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4057      1.00000
      2      -3.4936      1.00000
      3      -2.1203      1.00000
      4      -1.8939      1.00000
      5      -1.0495      1.00000
      6      -0.3604      1.00000
      7       0.6397      1.00000
      8       2.2912      1.00000
      9       2.6661      1.00155
     10       4.7329     -0.00000
     11       4.9069     -0.00000
     12       7.0259     -0.00000
     13       7.4886     -0.00000
     14       8.0156     -0.00000
     15       8.8319      0.00000
     16       9.7230      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3882      1.00000
      2      -7.4855      1.00000
      3      -6.1003      1.00000
      4      -4.2162      1.00000
      5      -1.7614      1.00000
      6       0.9002      1.00000
      7       3.9571     -0.00000
      8       6.0179     -0.00000
      9       6.4941     -0.00000
     10       7.2231     -0.00000
     11       7.3188     -0.00000
     12       7.4790     -0.00000
     13       7.6016     -0.00000
     14       8.3713     -0.00000
     15       8.7386      0.00000
     16      10.0601      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3882      1.00000
      2      -7.4855      1.00000
      3      -6.1003      1.00000
      4      -4.2162      1.00000
      5      -1.7614      1.00000
      6       0.9002      1.00000
      7       3.9571     -0.00000
      8       6.0179     -0.00000
      9       6.4941     -0.00000
     10       7.2231     -0.00000
     11       7.3188     -0.00000
     12       7.4790     -0.00000
     13       7.6016     -0.00000
     14       8.3712     -0.00000
     15       8.7386      0.00000
     16      10.0562      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3882      1.00000
      2      -7.4855      1.00000
      3      -6.1003      1.00000
      4      -4.2162      1.00000
      5      -1.7614      1.00000
      6       0.9002      1.00000
      7       3.9571     -0.00000
      8       6.0179     -0.00000
      9       6.4941     -0.00000
     10       7.2231     -0.00000
     11       7.3188     -0.00000
     12       7.4790     -0.00000
     13       7.6016     -0.00000
     14       8.3711     -0.00000
     15       8.7386      0.00000
     16      10.0699      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57139
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4178     -0.00000
     16       8.7576      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57139
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -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      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57139
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7600     -0.00000
     15       8.4173     -0.00000
     16       8.7593      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57139
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4172     -0.00000
     16       8.7587      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57139
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4181     -0.00000
     16       8.7576      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -6.0163      1.00000
      3      -4.6249      1.00000
      4      -2.7404      1.00000
      5      -0.3131      1.00000
      6       2.1603      1.00000
      7       3.1357      0.57139
      8       4.0919     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9039     -0.00000
     12       6.4752     -0.00000
     13       7.0132     -0.00000
     14       7.7599     -0.00000
     15       8.4174     -0.00000
     16       8.7596      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8506      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5242     -0.00000
     16       8.8352      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8503      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8557      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8650      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0372      1.00000
      2      -4.1244      1.00000
      3      -2.7351      1.00000
      4      -0.9017      1.00000
      5      -0.0508      1.00000
      6       0.7118      1.00000
      7       1.7035      1.00000
      8       2.5848      1.00022
      9       4.0701     -0.00000
     10       4.2713     -0.00000
     11       4.8678     -0.00000
     12       5.7216     -0.00000
     13       6.6231     -0.00000
     14       7.3939     -0.00000
     15       7.5241     -0.00000
     16       8.8761      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7182      1.00000
      3      -1.8301      1.00000
      4      -1.8243      1.00000
      5      -0.6866      1.00000
      6      -0.2933      1.00000
      7       1.2419      1.00000
      8       1.9757      1.00000
      9       3.7742     -0.00005
     10       3.9038     -0.00000
     11       4.7172     -0.00000
     12       5.7498     -0.00000
     13       6.3937     -0.00000
     14       6.7509     -0.00000
     15       7.1219     -0.00000
     16       8.6940      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7182      1.00000
      3      -1.8301      1.00000
      4      -1.8243      1.00000
      5      -0.6866      1.00000
      6      -0.2933      1.00000
      7       1.2419      1.00000
      8       1.9757      1.00000
      9       3.7742     -0.00005
     10       3.9038     -0.00000
     11       4.7172     -0.00000
     12       5.7498     -0.00000
     13       6.3937     -0.00000
     14       6.7509     -0.00000
     15       7.1219     -0.00000
     16       8.6835      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7416      1.00000
      2      -2.7182      1.00000
      3      -1.8301      1.00000
      4      -1.8243      1.00000
      5      -0.6866      1.00000
      6      -0.2933      1.00000
      7       1.2419      1.00000
      8       1.9757      1.00000
      9       3.7742     -0.00005
     10       3.9038     -0.00000
     11       4.7172     -0.00000
     12       5.7498     -0.00000
     13       6.3937     -0.00000
     14       6.7509     -0.00000
     15       7.1219     -0.00000
     16       8.7154      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3352      1.00000
      3      -2.9431      1.00000
      4      -1.0832      1.00000
      5       1.1510      1.00000
      6       2.0991      1.00000
      7       2.2617      1.00000
      8       2.9795      1.00518
      9       3.4324     -0.03180
     10       4.2226     -0.00000
     11       4.4844     -0.00000
     12       4.8505     -0.00000
     13       6.2121     -0.00000
     14       6.8532     -0.00000
     15       7.2535     -0.00000
     16       8.6936      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3352      1.00000
      3      -2.9431      1.00000
      4      -1.0832      1.00000
      5       1.1510      1.00000
      6       2.0991      1.00000
      7       2.2617      1.00000
      8       2.9795      1.00518
      9       3.4324     -0.03180
     10       4.2226     -0.00000
     11       4.4844     -0.00000
     12       4.8505     -0.00000
     13       6.2121     -0.00000
     14       6.8532     -0.00000
     15       7.2535     -0.00000
     16       8.6899      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2479      1.00000
      2      -4.3352      1.00000
      3      -2.9431      1.00000
      4      -1.0832      1.00000
      5       1.1510      1.00000
      6       2.0991      1.00000
      7       2.2617      1.00000
      8       2.9795      1.00518
      9       3.4324     -0.03180
     10       4.2226     -0.00000
     11       4.4844     -0.00000
     12       4.8505     -0.00000
     13       6.2121     -0.00000
     14       6.8532     -0.00000
     15       7.2535     -0.00000
     16       8.6931      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38683
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2364     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38682
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2639     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38683
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2558     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38683
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2977     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38683
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2513     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1495      1.00000
      2      -2.2411      1.00000
      3      -0.8829      1.00000
      4      -0.6486      1.00000
      5       0.1738      1.00000
      6       0.8203      1.00000
      7       1.7553      1.00000
      8       1.8294      1.00000
      9       2.5467      1.00008
     10       3.1803      0.38682
     11       4.1335     -0.00000
     12       4.6564     -0.00000
     13       6.0482     -0.00000
     14       6.1534     -0.00000
     15       6.3699     -0.00000
     16       8.2912     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8800      1.00000
      2      -0.8587      1.00000
      3      -0.8353      1.00000
      4      -0.0284      1.00000
      5       0.0386      1.00000
      6       0.0524      1.00000
      7       1.0819      1.00000
      8       1.0936      1.00000
      9       1.7896      1.00000
     10       2.6829      1.00221
     11       4.0846     -0.00000
     12       4.1123     -0.00000
     13       5.9788     -0.00000
     14       5.9999     -0.00000
     15       6.0584     -0.00000
     16       8.0186     -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
115.796 -61.849  -0.000  -0.083  -0.000   0.000  -0.023   0.000
-61.849  33.036   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    417.0090: real time    419.8810
    FORNL :  cpu time      0.4962: real time      0.5012
    FORCOR:  cpu time      1.9655: real time      1.9762
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.288E-05 -.983E-06 0.183E+03   0.436E-13 0.276E-13 -.182E+03   0.364E-05 0.109E-05 -.125E+01
   0.361E-05 -.468E-07 0.911E+02   -.326E-14 0.207E-14 -.912E+02   -.469E-05 -.349E-06 0.195E+00
   0.384E-05 0.317E-05 -.169E+00   -.142E-12 -.823E-13 0.202E+00   -.473E-05 -.296E-05 -.758E-01
   0.471E-05 0.163E-05 -.925E+02   0.135E-12 0.792E-13 0.923E+02   -.729E-05 -.727E-06 0.126E+00
   -.105E-05 -.299E-05 -.181E+03   -.432E-13 -.235E-13 0.180E+03   0.907E-06 0.396E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.955E-05 0.120E-05 -.258E-01   -.971E-14 0.313E-14 -.568E-13   -.122E-04 0.101E-05 0.228E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000002     -0.000000     -0.123454
      0.00000      0.00000      2.33311        -0.000001     -0.000001      0.130703
      1.42873      0.82488      4.66621        -0.000000     -0.000000     -0.040126
      2.85746      1.64976      6.98285        -0.000002      0.000001      0.012882
      0.00000      0.00000      9.36271         0.000001      0.000001      0.019995
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003      0.000002     -0.002122


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90194741 eV

  energy  without entropy=      -13.89674227  energy(sigma->0) =      -13.90021236
 
 d Force = 0.5380595E-04[ 0.470E-04, 0.606E-04]  d Energy = 0.5640158E-04-0.260E-05
 d Force = 0.3742858E+00[ 0.374E+00, 0.374E+00]  d Ewald  = 0.3742858E+00-0.386E-08


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


    POTLOK:  cpu time      1.9532: real time      1.9639


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.273E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.4746
 eigenvalue spectrum of G is  1.4746


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


    WAVPRE:  cpu time      0.0060: real time      0.0715
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9645: real time      1.9755
    EDDIAG:  cpu time    570.7380: real time    575.3070
    CHARGE:  cpu time      0.2649: real time      0.2669
 writing wavefunctions
     LOOP+:  cpu time   7894.5485: real time   7957.5615


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


    POTLOK:  cpu time      0.7227: real time      0.7283
    SETDIJ:  cpu time      1.2338: real time      1.2390
    TRIAL :  cpu time    575.9007: real time    580.5572
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    578.1360: real time    582.8066

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1125444E-04  (-0.8877356E-05)
 number of electron      15.0000000 magnetization      -0.0000043
 augmentation part       -0.0008825 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.48962267
  -Hartree energ DENC   =      -700.36193287
  -exchange      EXHF   =        33.26681233
  -V(xc)+E(xc)   XCENC  =       -83.54797480
  PAW double counting   =    100956.72264431  -100855.76409243
  entropy T*S    EENTRO =        -0.00517771
  eigenvalues    EBANDS =       -35.28323973
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90195668 eV

  energy without entropy =      -13.89677897  energy(sigma->0) =      -13.90023078
  exchange ACFDT corr.  =        -0.00509067  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7281
    SETDIJ:  cpu time      1.2352: real time      1.2404
    TRIAL :  cpu time    576.0199: real time    580.6779
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    571.8167: real time    576.5344
    CHARGE:  cpu time      0.2643: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time   1150.0631: real time   1159.4516

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4320013E-05  (-0.6898329E-05)
 number of electron      15.0000000 magnetization      -0.0000043
 augmentation part       -0.0008822 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.48962267
  -Hartree energ DENC   =      -700.32628457
  -exchange      EXHF   =        33.26645239
  -V(xc)+E(xc)   XCENC  =       -83.54804477
  PAW double counting   =    100956.74464248  -100855.78607925
  entropy T*S    EENTRO =        -0.00517542
  eigenvalues    EBANDS =       -35.31863383
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90196100 eV

  energy without entropy =      -13.89678558  energy(sigma->0) =      -13.90023586
  exchange ACFDT corr.  =        -0.00508790  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1405


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8908       2 -69.7831       3 -69.7833       4 -69.7799       5 -69.9018
 
 
 
 E-fermi :   3.1533     XC(G=0):  -5.1199     alpha+bet : -8.9779

 Fermi energy:         3.1532757877

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8913      1.00000
      2      -9.9960      1.00000
      3      -8.6247      1.00000
      4      -6.7581      1.00000
      5      -4.3343      1.00000
      6      -1.5914      1.00000
      7       1.6183      1.00000
      8       4.6312     -0.00000
      9       5.4125     -0.00000
     10       7.9280     -0.00000
     11       7.9903     -0.00000
     12      11.8919      0.00000
     13      12.1850      0.00000
     14      16.0654      0.00000
     15      16.1982      0.00000
     16      16.3352      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6828      1.00000
      2      -9.7870      1.00000
      3      -8.4145      1.00000
      4      -6.5462      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8319      1.00000
      8       4.8140     -0.00000
      9       5.5868     -0.00000
     10       8.0960     -0.00000
     11       8.1552     -0.00000
     12      12.0200      0.00000
     13      12.2813      0.00000
     14      13.1203      0.00000
     15      13.8508      0.00000
     16      14.3491      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6828      1.00000
      2      -9.7870      1.00000
      3      -8.4145      1.00000
      4      -6.5462      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8319      1.00000
      8       4.8140     -0.00000
      9       5.5868     -0.00000
     10       8.0960     -0.00000
     11       8.1552     -0.00000
     12      12.0200      0.00000
     13      12.2813      0.00000
     14      13.1203      0.00000
     15      13.8478      0.00000
     16      14.4749      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6828      1.00000
      2      -9.7870      1.00000
      3      -8.4145      1.00000
      4      -6.5462      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8319      1.00000
      8       4.8140     -0.00000
      9       5.5868     -0.00000
     10       8.0960     -0.00000
     11       8.1552     -0.00000
     12      12.0200      0.00000
     13      12.2813      0.00000
     14      13.1203      0.00000
     15      13.8480      0.00000
     16      14.3472      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1596      1.00000
      3      -7.7839      1.00000
      4      -5.9106      1.00000
      5      -3.4714      1.00000
      6      -0.7520      1.00000
      7       2.4583      1.00001
      8       5.3455     -0.00000
      9       6.1047     -0.00000
     10       8.4802     -0.00000
     11       8.6277      0.00000
     12       9.7297      0.00000
     13      10.2665      0.00000
     14      11.3720      0.00000
     15      12.5043      0.00000
     16      12.7743      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1596      1.00000
      3      -7.7839      1.00000
      4      -5.9106      1.00000
      5      -3.4714      1.00000
      6      -0.7520      1.00000
      7       2.4583      1.00001
      8       5.3455     -0.00000
      9       6.1047     -0.00000
     10       8.4802     -0.00000
     11       8.6277      0.00000
     12       9.7297      0.00000
     13      10.2665      0.00000
     14      11.3720      0.00000
     15      12.5081      0.00000
     16      12.8099      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1596      1.00000
      3      -7.7839      1.00000
      4      -5.9106      1.00000
      5      -3.4714      1.00000
      6      -0.7520      1.00000
      7       2.4583      1.00001
      8       5.3455     -0.00000
      9       6.1047     -0.00000
     10       8.4802     -0.00000
     11       8.6277      0.00000
     12       9.7297      0.00000
     13      10.2665      0.00000
     14      11.3720      0.00000
     15      12.5090      0.00000
     16      12.8667      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.1129      1.00000
      3      -6.7316      1.00000
      4      -4.8513      1.00000
      5      -2.3995      1.00000
      6       0.2858      1.00000
      7       3.4161     -0.03431
      8       5.6453     -0.00000
      9       6.5443     -0.00000
     10       6.8600     -0.00000
     11       7.0513     -0.00000
     12       8.0603     -0.00000
     13       9.4046      0.00000
     14       9.5823      0.00000
     15       9.8059      0.00000
     16      11.5906      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.1129      1.00000
      3      -6.7316      1.00000
      4      -4.8513      1.00000
      5      -2.3995      1.00000
      6       0.2858      1.00000
      7       3.4161     -0.03431
      8       5.6453     -0.00000
      9       6.5443     -0.00000
     10       6.8600     -0.00000
     11       7.0513     -0.00000
     12       8.0603     -0.00000
     13       9.4046      0.00000
     14       9.5823      0.00000
     15       9.8059      0.00000
     16      11.5990      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.1129      1.00000
      3      -6.7316      1.00000
      4      -4.8513      1.00000
      5      -2.3995      1.00000
      6       0.2858      1.00000
      7       3.4161     -0.03431
      8       5.6453     -0.00000
      9       6.5443     -0.00000
     10       6.8600     -0.00000
     11       7.0513     -0.00000
     12       8.0603     -0.00000
     13       9.4046      0.00000
     14       9.5823      0.00000
     15       9.8059      0.00000
     16      11.6279      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6446      1.00000
      3      -5.2563      1.00000
      4      -3.3721      1.00000
      5      -0.9335      1.00000
      6       1.5755      1.00000
      7       2.5475      1.00008
      8       3.5182     -0.01351
      9       4.7964     -0.00000
     10       5.1323     -0.00000
     11       6.5261     -0.00000
     12       7.6535     -0.00000
     13       8.2135     -0.00000
     14       8.7120      0.00000
     15      10.5175      0.00000
     16      10.8321      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6446      1.00000
      3      -5.2563      1.00000
      4      -3.3721      1.00000
      5      -0.9335      1.00000
      6       1.5755      1.00000
      7       2.5475      1.00008
      8       3.5182     -0.01351
      9       4.7964     -0.00000
     10       5.1323     -0.00000
     11       6.5261     -0.00000
     12       7.6535     -0.00000
     13       8.2135     -0.00000
     14       8.7120      0.00000
     15      10.5178      0.00000
     16      10.8310      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6446      1.00000
      3      -5.2563      1.00000
      4      -3.3721      1.00000
      5      -0.9335      1.00000
      6       1.5755      1.00000
      7       2.5475      1.00008
      8       3.5182     -0.01351
      9       4.7964     -0.00000
     10       5.1323     -0.00000
     11       6.5261     -0.00000
     12       7.6535     -0.00000
     13       8.2135     -0.00000
     14       8.7120      0.00000
     15      10.5177      0.00000
     16      10.8302      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7521      1.00000
      3      -3.3629      1.00000
      4      -1.5193      1.00000
      5      -0.6669      1.00000
      6       0.1107      1.00000
      7       1.1130      1.00000
      8       2.0135      1.00000
      9       3.6494     -0.00126
     10       3.7441     -0.00012
     11       5.9347     -0.00000
     12       6.7084     -0.00000
     13       8.2343     -0.00000
     14       9.1980      0.00000
     15       9.7535      0.00000
     16      10.6213      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7521      1.00000
      3      -3.3629      1.00000
      4      -1.5193      1.00000
      5      -0.6669      1.00000
      6       0.1107      1.00000
      7       1.1130      1.00000
      8       2.0135      1.00000
      9       3.6494     -0.00126
     10       3.7441     -0.00012
     11       5.9347     -0.00000
     12       6.7084     -0.00000
     13       8.2343     -0.00000
     14       9.1977      0.00000
     15       9.7534      0.00000
     16      10.4095      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7521      1.00000
      3      -3.3629      1.00000
      4      -1.5193      1.00000
      5      -0.6669      1.00000
      6       0.1107      1.00000
      7       1.1130      1.00000
      8       2.0135      1.00000
      9       3.6494     -0.00126
     10       3.7441     -0.00012
     11       5.9347     -0.00000
     12       6.7084     -0.00000
     13       8.2343     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.4700      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3437      1.00000
      3      -2.4566      1.00000
      4      -2.4409      1.00000
      5      -1.3002      1.00000
      6      -0.9059      1.00000
      7       0.6418      1.00000
      8       1.3843      1.00000
      9       3.3872     -0.03497
     10       3.5252     -0.01215
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4071     -0.00000
     14       8.8620      0.00000
     15      10.2401      0.00000
     16      10.5420      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3437      1.00000
      3      -2.4566      1.00000
      4      -2.4409      1.00000
      5      -1.3002      1.00000
      6      -0.9059      1.00000
      7       0.6418      1.00000
      8       1.3843      1.00000
      9       3.3872     -0.03497
     10       3.5252     -0.01215
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4071     -0.00000
     14       8.8620      0.00000
     15      10.2479      0.00000
     16      10.5899      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3437      1.00000
      3      -2.4566      1.00000
      4      -2.4409      1.00000
      5      -1.3002      1.00000
      6      -0.9059      1.00000
      7       0.6418      1.00000
      8       1.3843      1.00000
      9       3.3872     -0.03497
     10       3.5252     -0.01215
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4071     -0.00000
     14       8.8620      0.00000
     15      10.2359      0.00000
     16      10.5404      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3687      1.00000
      3      -7.9941      1.00000
      4      -6.1225      1.00000
      5      -3.6868      1.00000
      6      -0.9614      1.00000
      7       2.2524      1.00000
      8       5.1730     -0.00000
      9       5.9335     -0.00000
     10       8.4207     -0.00000
     11       8.4634     -0.00000
     12      11.4301      0.00000
     13      11.4462      0.00000
     14      11.8823      0.00000
     15      12.0083      0.00000
     16      12.6655      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3687      1.00000
      3      -7.9941      1.00000
      4      -6.1225      1.00000
      5      -3.6868      1.00000
      6      -0.9614      1.00000
      7       2.2524      1.00000
      8       5.1730     -0.00000
      9       5.9335     -0.00000
     10       8.4207     -0.00000
     11       8.4634     -0.00000
     12      11.4301      0.00000
     13      11.4503      0.00000
     14      11.8838      0.00000
     15      12.0073      0.00000
     16      12.6763      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3687      1.00000
      3      -7.9941      1.00000
      4      -6.1225      1.00000
      5      -3.6868      1.00000
      6      -0.9614      1.00000
      7       2.2524      1.00000
      8       5.1730     -0.00000
      9       5.9335     -0.00000
     10       8.4207     -0.00000
     11       8.4634     -0.00000
     12      11.4302      0.00000
     13      11.4444      0.00000
     14      11.8843      0.00000
     15      12.0122      0.00000
     16      12.6636      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85515
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1817      0.00000
     16      10.7137      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85515
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1815      0.00000
     16      10.7129      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85515
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1817      0.00000
     16      10.7136      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85515
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1816      0.00000
     16      10.7129      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85515
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1817      0.00000
     16      10.7142      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85515
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1816      0.00000
     16      10.7126      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6805     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.8995      0.00000
     15       9.5962      0.00000
     16      10.1999      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6805     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.8991      0.00000
     15       9.6011      0.00000
     16      10.0830      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6805     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.9022      0.00000
     15       9.6081      0.00000
     16      10.2644      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6805     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.9079      0.00000
     15       9.5973      0.00000
     16      10.2579      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6805     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.8992      0.00000
     15       9.5934      0.00000
     16      10.1261      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6805     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.9042      0.00000
     15       9.9672      0.00000
     16      10.2252      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00050
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6544      0.00000
     15       9.1012      0.00000
     16       9.1231      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6538      0.00000
     15       9.1011      0.00000
     16       9.1228      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00050
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6531      0.00000
     15       9.1011      0.00000
     16       9.1198      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00050
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6533      0.00000
     15       9.1012      0.00000
     16       9.1213      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00050
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6544      0.00000
     15       9.1013      0.00000
     16       9.1248      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6533      0.00000
     15       9.1020      0.00000
     16       9.1201      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8326      0.00000
     16       9.7025      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8326      0.00000
     16       9.7230      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8368      0.00000
     16       9.7401      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8326      0.00000
     16       9.6985      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8327      0.00000
     16       9.6968      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8336      0.00000
     16       9.7437      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4843      1.00000
      3      -6.0998      1.00000
      4      -4.2161      1.00000
      5      -1.7617      1.00000
      6       0.9002      1.00000
      7       3.9564     -0.00000
      8       6.0181     -0.00000
      9       6.4945     -0.00000
     10       7.2240     -0.00000
     11       7.3185     -0.00000
     12       7.4803     -0.00000
     13       7.6013     -0.00000
     14       8.3719     -0.00000
     15       8.7435      0.00000
     16      10.0607      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4843      1.00000
      3      -6.0998      1.00000
      4      -4.2161      1.00000
      5      -1.7617      1.00000
      6       0.9002      1.00000
      7       3.9564     -0.00000
      8       6.0181     -0.00000
      9       6.4945     -0.00000
     10       7.2240     -0.00000
     11       7.3185     -0.00000
     12       7.4803     -0.00000
     13       7.6013     -0.00000
     14       8.3718     -0.00000
     15       8.7390      0.00000
     16      10.0634      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4843      1.00000
      3      -6.0998      1.00000
      4      -4.2161      1.00000
      5      -1.7617      1.00000
      6       0.9002      1.00000
      7       3.9564     -0.00000
      8       6.0181     -0.00000
      9       6.4945     -0.00000
     10       7.2240     -0.00000
     11       7.3184     -0.00000
     12       7.4803     -0.00000
     13       7.6013     -0.00000
     14       8.3716     -0.00000
     15       8.7390      0.00000
     16      10.0558      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56899
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4171     -0.00000
     16       8.7575      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56899
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4172     -0.00000
     16       8.7594      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56899
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4177     -0.00000
     16       8.7581      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56899
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4180     -0.00000
     16       8.7579      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56899
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4170     -0.00000
     16       8.7595      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56899
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4171     -0.00000
     16       8.7573      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5852      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8484      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8497      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5852      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8503      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5852      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8711      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5852      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8821      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8829      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7178      1.00000
      3      -1.8290      1.00000
      4      -1.8229      1.00000
      5      -0.6861      1.00000
      6      -0.2927      1.00000
      7       1.2422      1.00000
      8       1.9759      1.00000
      9       3.7742     -0.00005
     10       3.9035     -0.00000
     11       4.7176     -0.00000
     12       5.7506     -0.00000
     13       6.3939     -0.00000
     14       6.7511     -0.00000
     15       7.1221     -0.00000
     16       8.7765      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7178      1.00000
      3      -1.8290      1.00000
      4      -1.8229      1.00000
      5      -0.6861      1.00000
      6      -0.2927      1.00000
      7       1.2422      1.00000
      8       1.9759      1.00000
      9       3.7742     -0.00005
     10       3.9035     -0.00000
     11       4.7176     -0.00000
     12       5.7506     -0.00000
     13       6.3939     -0.00000
     14       6.7511     -0.00000
     15       7.1221     -0.00000
     16       8.7394      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7178      1.00000
      3      -1.8290      1.00000
      4      -1.8229      1.00000
      5      -0.6861      1.00000
      6      -0.2927      1.00000
      7       1.2422      1.00000
      8       1.9759      1.00000
      9       3.7742     -0.00005
     10       3.9035     -0.00000
     11       4.7176     -0.00000
     12       5.7506     -0.00000
     13       6.3939     -0.00000
     14       6.7511     -0.00000
     15       7.1221     -0.00000
     16       8.7345      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.3340      1.00000
      3      -2.9426      1.00000
      4      -1.0830      1.00000
      5       1.1509      1.00000
      6       2.0996      1.00000
      7       2.2623      1.00000
      8       2.9806      1.00462
      9       3.4337     -0.03172
     10       4.2231     -0.00000
     11       4.4846     -0.00000
     12       4.8509     -0.00000
     13       6.2123     -0.00000
     14       6.8532     -0.00000
     15       7.2528     -0.00000
     16       8.6893      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.3340      1.00000
      3      -2.9426      1.00000
      4      -1.0830      1.00000
      5       1.1509      1.00000
      6       2.0996      1.00000
      7       2.2623      1.00000
      8       2.9806      1.00462
      9       3.4337     -0.03172
     10       4.2231     -0.00000
     11       4.4846     -0.00000
     12       4.8509     -0.00000
     13       6.2123     -0.00000
     14       6.8532     -0.00000
     15       7.2528     -0.00000
     16       8.7001      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.3340      1.00000
      3      -2.9426      1.00000
      4      -1.0830      1.00000
      5       1.1509      1.00000
      6       2.0996      1.00000
      7       2.2623      1.00000
      8       2.9806      1.00462
      9       3.4337     -0.03172
     10       4.2231     -0.00000
     11       4.4846     -0.00000
     12       4.8509     -0.00000
     13       6.2123     -0.00000
     14       6.8532     -0.00000
     15       7.2528     -0.00000
     16       8.7031      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38649
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2270     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38650
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2811     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38649
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2400     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38649
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2452     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38649
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2375     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38649
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.4240     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8792      1.00000
      2      -0.8585      1.00000
      3      -0.8348      1.00000
      4      -0.0275      1.00000
      5       0.0406      1.00000
      6       0.0533      1.00000
      7       1.0817      1.00000
      8       1.0947      1.00000
      9       1.7902      1.00000
     10       2.6834      1.00221
     11       4.0829     -0.00000
     12       4.1141     -0.00000
     13       5.9784     -0.00000
     14       5.9998     -0.00000
     15       6.0580     -0.00000
     16       8.0172     -0.00000
 Fermi energy:         3.1532757877

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8913      1.00000
      2      -9.9960      1.00000
      3      -8.6247      1.00000
      4      -6.7581      1.00000
      5      -4.3343      1.00000
      6      -1.5914      1.00000
      7       1.6183      1.00000
      8       4.6312     -0.00000
      9       5.4125     -0.00000
     10       7.9280     -0.00000
     11       7.9903     -0.00000
     12      11.8919      0.00000
     13      12.1850      0.00000
     14      16.0656      0.00000
     15      16.3163      0.00000
     16      16.4599      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6828      1.00000
      2      -9.7870      1.00000
      3      -8.4145      1.00000
      4      -6.5462      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8319      1.00000
      8       4.8140     -0.00000
      9       5.5868     -0.00000
     10       8.0960     -0.00000
     11       8.1552     -0.00000
     12      12.0200      0.00000
     13      12.2813      0.00000
     14      13.1203      0.00000
     15      13.8481      0.00000
     16      14.3299      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6828      1.00000
      2      -9.7870      1.00000
      3      -8.4145      1.00000
      4      -6.5462      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8319      1.00000
      8       4.8140     -0.00000
      9       5.5868     -0.00000
     10       8.0960     -0.00000
     11       8.1552     -0.00000
     12      12.0200      0.00000
     13      12.2813      0.00000
     14      13.1203      0.00000
     15      13.8480      0.00000
     16      14.3263      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6828      1.00000
      2      -9.7870      1.00000
      3      -8.4145      1.00000
      4      -6.5462      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8319      1.00000
      8       4.8140     -0.00000
      9       5.5868     -0.00000
     10       8.0960     -0.00000
     11       8.1552     -0.00000
     12      12.0200      0.00000
     13      12.2813      0.00000
     14      13.1203      0.00000
     15      13.8492      0.00000
     16      14.3408      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1596      1.00000
      3      -7.7839      1.00000
      4      -5.9106      1.00000
      5      -3.4714      1.00000
      6      -0.7520      1.00000
      7       2.4583      1.00001
      8       5.3455     -0.00000
      9       6.1047     -0.00000
     10       8.4802     -0.00000
     11       8.6277      0.00000
     12       9.7297      0.00000
     13      10.2665      0.00000
     14      11.3720      0.00000
     15      12.5141      0.00000
     16      12.8661      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1596      1.00000
      3      -7.7839      1.00000
      4      -5.9106      1.00000
      5      -3.4714      1.00000
      6      -0.7520      1.00000
      7       2.4583      1.00001
      8       5.3455     -0.00000
      9       6.1047     -0.00000
     10       8.4802     -0.00000
     11       8.6277      0.00000
     12       9.7297      0.00000
     13      10.2665      0.00000
     14      11.3720      0.00000
     15      12.5048      0.00000
     16      12.7726      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1596      1.00000
      3      -7.7839      1.00000
      4      -5.9106      1.00000
      5      -3.4714      1.00000
      6      -0.7520      1.00000
      7       2.4583      1.00001
      8       5.3455     -0.00000
      9       6.1047     -0.00000
     10       8.4802     -0.00000
     11       8.6277      0.00000
     12       9.7297      0.00000
     13      10.2665      0.00000
     14      11.3720      0.00000
     15      12.5092      0.00000
     16      12.8282      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.1129      1.00000
      3      -6.7316      1.00000
      4      -4.8513      1.00000
      5      -2.3995      1.00000
      6       0.2858      1.00000
      7       3.4161     -0.03431
      8       5.6453     -0.00000
      9       6.5443     -0.00000
     10       6.8600     -0.00000
     11       7.0513     -0.00000
     12       8.0603     -0.00000
     13       9.4046      0.00000
     14       9.5823      0.00000
     15       9.8059      0.00000
     16      11.5930      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.1129      1.00000
      3      -6.7316      1.00000
      4      -4.8513      1.00000
      5      -2.3995      1.00000
      6       0.2858      1.00000
      7       3.4161     -0.03431
      8       5.6453     -0.00000
      9       6.5443     -0.00000
     10       6.8600     -0.00000
     11       7.0513     -0.00000
     12       8.0603     -0.00000
     13       9.4046      0.00000
     14       9.5823      0.00000
     15       9.8059      0.00000
     16      11.6191      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.1129      1.00000
      3      -6.7316      1.00000
      4      -4.8513      1.00000
      5      -2.3995      1.00000
      6       0.2858      1.00000
      7       3.4161     -0.03431
      8       5.6453     -0.00000
      9       6.5443     -0.00000
     10       6.8600     -0.00000
     11       7.0513     -0.00000
     12       8.0603     -0.00000
     13       9.4046      0.00000
     14       9.5823      0.00000
     15       9.8059      0.00000
     16      11.6024      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6446      1.00000
      3      -5.2563      1.00000
      4      -3.3721      1.00000
      5      -0.9335      1.00000
      6       1.5755      1.00000
      7       2.5475      1.00008
      8       3.5182     -0.01351
      9       4.7964     -0.00000
     10       5.1323     -0.00000
     11       6.5261     -0.00000
     12       7.6535     -0.00000
     13       8.2135     -0.00000
     14       8.7120      0.00000
     15      10.5166      0.00000
     16      10.8309      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6446      1.00000
      3      -5.2563      1.00000
      4      -3.3721      1.00000
      5      -0.9335      1.00000
      6       1.5755      1.00000
      7       2.5475      1.00008
      8       3.5182     -0.01351
      9       4.7964     -0.00000
     10       5.1323     -0.00000
     11       6.5261     -0.00000
     12       7.6535     -0.00000
     13       8.2135     -0.00000
     14       8.7120      0.00000
     15      10.5198      0.00000
     16      10.8341      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5512      1.00000
      2      -6.6446      1.00000
      3      -5.2563      1.00000
      4      -3.3721      1.00000
      5      -0.9335      1.00000
      6       1.5755      1.00000
      7       2.5475      1.00008
      8       3.5182     -0.01351
      9       4.7964     -0.00000
     10       5.1323     -0.00000
     11       6.5261     -0.00000
     12       7.6535     -0.00000
     13       8.2135     -0.00000
     14       8.7120      0.00000
     15      10.5191      0.00000
     16      10.8366      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7521      1.00000
      3      -3.3629      1.00000
      4      -1.5193      1.00000
      5      -0.6669      1.00000
      6       0.1107      1.00000
      7       1.1130      1.00000
      8       2.0135      1.00000
      9       3.6494     -0.00126
     10       3.7441     -0.00012
     11       5.9347     -0.00000
     12       6.7084     -0.00000
     13       8.2343     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.4846      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7521      1.00000
      3      -3.3629      1.00000
      4      -1.5193      1.00000
      5      -0.6669      1.00000
      6       0.1107      1.00000
      7       1.1130      1.00000
      8       2.0135      1.00000
      9       3.6494     -0.00126
     10       3.7441     -0.00012
     11       5.9347     -0.00000
     12       6.7084     -0.00000
     13       8.2343     -0.00000
     14       9.1977      0.00000
     15       9.7533      0.00000
     16      10.5392      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7521      1.00000
      3      -3.3629      1.00000
      4      -1.5193      1.00000
      5      -0.6669      1.00000
      6       0.1107      1.00000
      7       1.1130      1.00000
      8       2.0135      1.00000
      9       3.6494     -0.00126
     10       3.7441     -0.00012
     11       5.9347     -0.00000
     12       6.7084     -0.00000
     13       8.2343     -0.00000
     14       9.1977      0.00000
     15       9.7535      0.00000
     16      10.5462      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3437      1.00000
      3      -2.4566      1.00000
      4      -2.4409      1.00000
      5      -1.3002      1.00000
      6      -0.9059      1.00000
      7       0.6418      1.00000
      8       1.3843      1.00000
      9       3.3872     -0.03497
     10       3.5252     -0.01215
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4071     -0.00000
     14       8.8620      0.00000
     15      10.3246      0.00000
     16      10.6684      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3437      1.00000
      3      -2.4566      1.00000
      4      -2.4409      1.00000
      5      -1.3002      1.00000
      6      -0.9059      1.00000
      7       0.6418      1.00000
      8       1.3843      1.00000
      9       3.3872     -0.03497
     10       3.5252     -0.01215
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4071     -0.00000
     14       8.8620      0.00000
     15      10.2528      0.00000
     16      10.5479      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3668      1.00000
      2      -3.3437      1.00000
      3      -2.4566      1.00000
      4      -2.4409      1.00000
      5      -1.3002      1.00000
      6      -0.9059      1.00000
      7       0.6418      1.00000
      8       1.3843      1.00000
      9       3.3872     -0.03497
     10       3.5252     -0.01215
     11       5.6755     -0.00000
     12       6.0167     -0.00000
     13       8.4071     -0.00000
     14       8.8620      0.00000
     15      10.3288      0.00000
     16      10.5423      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3687      1.00000
      3      -7.9942      1.00000
      4      -6.1225      1.00000
      5      -3.6868      1.00000
      6      -0.9614      1.00000
      7       2.2524      1.00000
      8       5.1730     -0.00000
      9       5.9335     -0.00000
     10       8.4207     -0.00000
     11       8.4634     -0.00000
     12      11.4300      0.00000
     13      11.4445      0.00000
     14      11.8824      0.00000
     15      12.0110      0.00000
     16      12.6574      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3687      1.00000
      3      -7.9942      1.00000
      4      -6.1225      1.00000
      5      -3.6868      1.00000
      6      -0.9614      1.00000
      7       2.2524      1.00000
      8       5.1730     -0.00000
      9       5.9335     -0.00000
     10       8.4207     -0.00000
     11       8.4634     -0.00000
     12      11.4301      0.00000
     13      11.4441      0.00000
     14      11.8844      0.00000
     15      12.0118      0.00000
     16      12.6433      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3687      1.00000
      3      -7.9942      1.00000
      4      -6.1225      1.00000
      5      -3.6868      1.00000
      6      -0.9614      1.00000
      7       2.2524      1.00000
      8       5.1730     -0.00000
      9       5.9335     -0.00000
     10       8.4207     -0.00000
     11       8.4634     -0.00000
     12      11.4300      0.00000
     13      11.4446      0.00000
     14      11.8809      0.00000
     15      12.0361      0.00000
     16      12.7212      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85516
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1816      0.00000
     16      10.7126      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85516
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1820      0.00000
     16      10.7141      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85516
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1817      0.00000
     16      10.7125      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85516
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1815      0.00000
     16      10.7126      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85516
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1817      0.00000
     16      10.7127      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.5318      1.00000
      3      -7.1527      1.00000
      4      -5.2749      1.00000
      5      -2.8270      1.00000
      6      -0.1262      1.00000
      7       3.0580      0.85516
      8       5.8243     -0.00000
      9       6.6020     -0.00000
     10       7.8596     -0.00000
     11       8.5796     -0.00000
     12       9.0038      0.00000
     13       9.4215      0.00000
     14       9.8305      0.00000
     15      10.1816      0.00000
     16      10.7125      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6804     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.8990      0.00000
     15       9.5916      0.00000
     16      10.0908      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6804     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.9028      0.00000
     15       9.5965      0.00000
     16      10.1864      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6804     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.9002      0.00000
     15       9.5914      0.00000
     16      10.1686      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6804     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.9028      0.00000
     15       9.5941      0.00000
     16      10.1696      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6804     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.8991      0.00000
     15       9.6015      0.00000
     16      10.2776      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2745      1.00000
      3      -5.8889      1.00000
      4      -4.0048      1.00000
      5      -1.5520      1.00000
      6       1.0919      1.00000
      7       3.8117     -0.00002
      8       4.6804     -0.00000
      9       5.3975     -0.00000
     10       6.5055     -0.00000
     11       7.0888     -0.00000
     12       7.6977     -0.00000
     13       8.1818     -0.00000
     14       8.8984      0.00000
     15       9.5914      0.00000
     16      10.1745      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6538      0.00000
     15       9.1020      0.00000
     16       9.1240      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6538      0.00000
     15       9.1011      0.00000
     16       9.1227      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9801     -0.00000
     14       8.6531      0.00000
     15       9.1018      0.00000
     16       9.1202      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6531      0.00000
     15       9.1013      0.00000
     16       9.1211      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6531      0.00000
     15       9.1011      0.00000
     16       9.1199      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5043      1.00000
      2      -5.5940      1.00000
      3      -4.2029      1.00000
      4      -2.3255      1.00000
      5       0.0170      1.00000
      6       1.0003      1.00000
      7       1.9717      1.00000
      8       2.9843      1.00051
      9       3.5189     -0.01343
     10       5.1967     -0.00000
     11       5.9039     -0.00000
     12       7.3272     -0.00000
     13       7.9800     -0.00000
     14       8.6536      0.00000
     15       9.1013      0.00000
     16       9.1209      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8336      0.00000
     16       9.6974      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8325      0.00000
     16       9.7032      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8326      0.00000
     16       9.7053      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8325      0.00000
     16       9.6980      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8326      0.00000
     16       9.6968      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4052      1.00000
      2      -3.4924      1.00000
      3      -2.1197      1.00000
      4      -1.8934      1.00000
      5      -1.0484      1.00000
      6      -0.3601      1.00000
      7       0.6402      1.00000
      8       2.2913      1.00000
      9       2.6659      1.00154
     10       4.7327     -0.00000
     11       4.9068     -0.00000
     12       7.0260     -0.00000
     13       7.4887     -0.00000
     14       8.0157     -0.00000
     15       8.8326      0.00000
     16       9.7217      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4843      1.00000
      3      -6.0998      1.00000
      4      -4.2161      1.00000
      5      -1.7617      1.00000
      6       0.9002      1.00000
      7       3.9564     -0.00000
      8       6.0181     -0.00000
      9       6.4945     -0.00000
     10       7.2240     -0.00000
     11       7.3185     -0.00000
     12       7.4803     -0.00000
     13       7.6013     -0.00000
     14       8.3718     -0.00000
     15       8.7390      0.00000
     16      10.0600      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4843      1.00000
      3      -6.0998      1.00000
      4      -4.2161      1.00000
      5      -1.7617      1.00000
      6       0.9002      1.00000
      7       3.9564     -0.00000
      8       6.0181     -0.00000
      9       6.4945     -0.00000
     10       7.2240     -0.00000
     11       7.3185     -0.00000
     12       7.4803     -0.00000
     13       7.6013     -0.00000
     14       8.3717     -0.00000
     15       8.7390      0.00000
     16      10.0557      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3878      1.00000
      2      -7.4843      1.00000
      3      -6.0998      1.00000
      4      -4.2161      1.00000
      5      -1.7617      1.00000
      6       0.9002      1.00000
      7       3.9564     -0.00000
      8       6.0181     -0.00000
      9       6.4945     -0.00000
     10       7.2240     -0.00000
     11       7.3184     -0.00000
     12       7.4803     -0.00000
     13       7.6013     -0.00000
     14       8.3716     -0.00000
     15       8.7390      0.00000
     16      10.0691      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56901
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4174     -0.00000
     16       8.7574      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56900
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4177     -0.00000
     16       8.7581      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56900
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7601     -0.00000
     15       8.4170     -0.00000
     16       8.7589      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56901
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4169     -0.00000
     16       8.7583      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56900
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4176     -0.00000
     16       8.7574      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9240      1.00000
      2      -6.0151      1.00000
      3      -4.6244      1.00000
      4      -2.7403      1.00000
      5      -0.3134      1.00000
      6       2.1605      1.00000
      7       3.1362      0.56900
      8       4.0930     -0.00000
      9       5.0881     -0.00000
     10       5.3528     -0.00000
     11       5.9042     -0.00000
     12       6.4758     -0.00000
     13       7.0134     -0.00000
     14       7.7600     -0.00000
     15       8.4170     -0.00000
     16       8.7592      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8503      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8351      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8501      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8554      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8648      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0367      1.00000
      2      -4.1232      1.00000
      3      -2.7346      1.00000
      4      -0.9014      1.00000
      5      -0.0503      1.00000
      6       0.7127      1.00000
      7       1.7037      1.00000
      8       2.5851      1.00022
      9       4.0704     -0.00000
     10       4.2713     -0.00000
     11       4.8682     -0.00000
     12       5.7225     -0.00000
     13       6.6233     -0.00000
     14       7.3941     -0.00000
     15       7.5234     -0.00000
     16       8.8760      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7178      1.00000
      3      -1.8290      1.00000
      4      -1.8229      1.00000
      5      -0.6861      1.00000
      6      -0.2927      1.00000
      7       1.2422      1.00000
      8       1.9759      1.00000
      9       3.7742     -0.00005
     10       3.9035     -0.00000
     11       4.7176     -0.00000
     12       5.7506     -0.00000
     13       6.3939     -0.00000
     14       6.7511     -0.00000
     15       7.1221     -0.00000
     16       8.6934      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7178      1.00000
      3      -1.8290      1.00000
      4      -1.8229      1.00000
      5      -0.6861      1.00000
      6      -0.2927      1.00000
      7       1.2422      1.00000
      8       1.9759      1.00000
      9       3.7742     -0.00005
     10       3.9035     -0.00000
     11       4.7176     -0.00000
     12       5.7506     -0.00000
     13       6.3939     -0.00000
     14       6.7511     -0.00000
     15       7.1221     -0.00000
     16       8.6833      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7410      1.00000
      2      -2.7178      1.00000
      3      -1.8290      1.00000
      4      -1.8229      1.00000
      5      -0.6861      1.00000
      6      -0.2927      1.00000
      7       1.2422      1.00000
      8       1.9759      1.00000
      9       3.7742     -0.00005
     10       3.9035     -0.00000
     11       4.7176     -0.00000
     12       5.7506     -0.00000
     13       6.3939     -0.00000
     14       6.7511     -0.00000
     15       7.1221     -0.00000
     16       8.7141      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.3340      1.00000
      3      -2.9426      1.00000
      4      -1.0830      1.00000
      5       1.1509      1.00000
      6       2.0996      1.00000
      7       2.2623      1.00000
      8       2.9806      1.00462
      9       3.4337     -0.03172
     10       4.2231     -0.00000
     11       4.4846     -0.00000
     12       4.8509     -0.00000
     13       6.2123     -0.00000
     14       6.8532     -0.00000
     15       7.2528     -0.00000
     16       8.6933      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.3340      1.00000
      3      -2.9426      1.00000
      4      -1.0830      1.00000
      5       1.1509      1.00000
      6       2.0996      1.00000
      7       2.2623      1.00000
      8       2.9806      1.00462
      9       3.4337     -0.03172
     10       4.2231     -0.00000
     11       4.4846     -0.00000
     12       4.8509     -0.00000
     13       6.2123     -0.00000
     14       6.8532     -0.00000
     15       7.2528     -0.00000
     16       8.6897      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.3340      1.00000
      3      -2.9426      1.00000
      4      -1.0830      1.00000
      5       1.1509      1.00000
      6       2.0996      1.00000
      7       2.2623      1.00000
      8       2.9806      1.00462
      9       3.4337     -0.03172
     10       4.2231     -0.00000
     11       4.4846     -0.00000
     12       4.8509     -0.00000
     13       6.2123     -0.00000
     14       6.8532     -0.00000
     15       7.2528     -0.00000
     16       8.6928      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38651
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2359     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38650
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2632     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38651
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2552     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38651
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2964     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38651
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2507     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1490      1.00000
      2      -2.2399      1.00000
      3      -0.8823      1.00000
      4      -0.6481      1.00000
      5       0.1749      1.00000
      6       0.8207      1.00000
      7       1.7558      1.00000
      8       1.8299      1.00000
      9       2.5478      1.00008
     10       3.1807      0.38651
     11       4.1335     -0.00000
     12       4.6567     -0.00000
     13       6.0483     -0.00000
     14       6.1533     -0.00000
     15       6.3697     -0.00000
     16       8.2902     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8792      1.00000
      2      -0.8585      1.00000
      3      -0.8348      1.00000
      4      -0.0275      1.00000
      5       0.0406      1.00000
      6       0.0533      1.00000
      7       1.0817      1.00000
      8       1.0947      1.00000
      9       1.7902      1.00000
     10       2.6834      1.00221
     11       4.0829     -0.00000
     12       4.1141     -0.00000
     13       5.9784     -0.00000
     14       5.9998     -0.00000
     15       6.0580     -0.00000
     16       8.0186     -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
115.795 -61.849  -0.000  -0.082  -0.000   0.000  -0.023   0.000
-61.849  33.036   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      0.0018: real time      0.0018
    FORHF :  cpu time    415.6068: real time    418.5202
    FORNL :  cpu time      0.4952: real time      0.5004
    FORCOR:  cpu time      1.9588: real time      1.9699
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.198E-05 -.289E-05 0.183E+03   0.436E-13 0.276E-13 -.182E+03   0.243E-05 0.265E-05 -.125E+01
   0.138E-05 0.493E-06 0.911E+02   -.310E-14 0.222E-14 -.912E+02   -.202E-05 -.755E-06 0.194E+00
   0.293E-05 -.272E-05 -.185E+00   -.141E-12 -.825E-13 0.214E+00   -.420E-05 0.279E-05 -.735E-01
   0.215E-05 -.402E-05 -.924E+02   0.133E-12 0.784E-13 0.923E+02   -.326E-05 0.578E-05 0.118E+00
   0.518E-05 -.147E-05 -.181E+03   -.422E-13 -.226E-13 0.180E+03   -.592E-05 0.188E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.100E-04 -.114E-04 -.188E-01   -.971E-14 0.313E-14 0.000E+00   -.130E-04 0.123E-04 -.251E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.121426
      0.00000      0.00000      2.33311        -0.000000     -0.000001      0.131302
      1.42873      0.82488      4.66621        -0.000001     -0.000000     -0.037802
      2.85746      1.64976      6.98319        -0.000001      0.000001      0.012995
      0.00000      0.00000      9.36342         0.000000      0.000000      0.014930
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003      0.000001     -0.021849


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90196100 eV

  energy  without entropy=      -13.89678558  energy(sigma->0) =      -13.90023586
 
 d Force = 0.1680542E-04[ 0.150E-04, 0.186E-04]  d Energy = 0.1358993E-04 0.322E-05
 d Force = 0.1593162E+00[ 0.159E+00, 0.159E+00]  d Ewald  = 0.1593162E+00-0.402E-10


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


    POTLOK:  cpu time      1.9564: real time      1.9675


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.189E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.1880
 eigenvalue spectrum of G is  1.1996  7.1763


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


    WAVPRE:  cpu time      0.0059: real time      0.0605
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0855
    POTLOK:  cpu time      1.9631: real time      1.9746
    EDDIAG:  cpu time    572.3374: real time    576.9763
    CHARGE:  cpu time      0.2650: real time      0.2669
 writing wavefunctions
     LOOP+:  cpu time   2723.8069: real time   2746.0777


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


    POTLOK:  cpu time      0.7228: real time      0.7283
    SETDIJ:  cpu time      1.2327: real time      1.2380
    TRIAL :  cpu time    574.5849: real time    579.2643
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    576.8190: real time    581.5122

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6430784E-03  (-0.4826697E-03)
 number of electron      15.0000000 magnetization      -0.0000037
 augmentation part       -0.0009190 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.38881156
  -exchange      EXHF   =        33.26254020
  -V(xc)+E(xc)   XCENC  =       -83.54930719
  PAW double counting   =    100915.36915580  -100814.41010812
  entropy T*S    EENTRO =        -0.00495489
  eigenvalues    EBANDS =       -34.96871311
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90131361 eV

  energy without entropy =      -13.89635871  energy(sigma->0) =      -13.89966197
  exchange ACFDT corr.  =        -0.00494110  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7226: real time      0.7282
    SETDIJ:  cpu time      1.2307: real time      1.2362
    TRIAL :  cpu time    574.7930: real time    579.4149
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    577.0158: real time    581.6509

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2907708E-03  (-0.3432837E-03)
 number of electron      15.0000000 magnetization      -0.0000038
 augmentation part       -0.0009213 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.04544176
  -exchange      EXHF   =        33.26096332
  -V(xc)+E(xc)   XCENC  =       -83.54986586
  PAW double counting   =    100909.34353017  -100808.38451041
  entropy T*S    EENTRO =        -0.00493678
  eigenvalues    EBANDS =       -35.31024885
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90160438 eV

  energy without entropy =      -13.89666760  energy(sigma->0) =      -13.89995878
  exchange ACFDT corr.  =        -0.00491556  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7223: real time      0.7277
    SETDIJ:  cpu time      1.2349: real time      1.2405
    TRIAL :  cpu time    575.3108: real time    579.9701
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    577.5375: real time    582.2099

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2393890E-03  (-0.1990286E-03)
 number of electron      15.0000000 magnetization      -0.0000039
 augmentation part       -0.0009246 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -698.91203059
  -exchange      EXHF   =        33.25980964
  -V(xc)+E(xc)   XCENC  =       -83.55025757
  PAW double counting   =    100905.61243968  -100804.65339519
  entropy T*S    EENTRO =        -0.00493805
  eigenvalues    EBANDS =       -35.44239688
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90184377 eV

  energy without entropy =      -13.89690572  energy(sigma->0) =      -13.90019775
  exchange ACFDT corr.  =        -0.00489666  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7228: real time      0.7283
    SETDIJ:  cpu time      1.2324: real time      1.2379
    TRIAL :  cpu time    573.3235: real time    577.9895
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    575.5487: real time    580.2278

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1421997E-03  (-0.9506877E-04)
 number of electron      15.0000000 magnetization      -0.0000038
 augmentation part       -0.0009288 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.01923722
  -exchange      EXHF   =        33.25957431
  -V(xc)+E(xc)   XCENC  =       -83.55032469
  PAW double counting   =    100907.23762418  -100806.27866084
  entropy T*S    EENTRO =        -0.00493236
  eigenvalues    EBANDS =       -35.33494757
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90198597 eV

  energy without entropy =      -13.89705361  energy(sigma->0) =      -13.90034185
  exchange ACFDT corr.  =        -0.00489183  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2324: real time      1.2376
    TRIAL :  cpu time    573.6571: real time    578.3237
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    575.8811: real time    580.5608

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5718572E-04  (-0.5166973E-04)
 number of electron      15.0000000 magnetization      -0.0000036
 augmentation part       -0.0009311 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.09482371
  -exchange      EXHF   =        33.25964822
  -V(xc)+E(xc)   XCENC  =       -83.55029429
  PAW double counting   =    100910.20226277  -100809.24329582
  entropy T*S    EENTRO =        -0.00491580
  eigenvalues    EBANDS =       -35.25953189
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90204315 eV

  energy without entropy =      -13.89712735  energy(sigma->0) =      -13.90040455
  exchange ACFDT corr.  =        -0.00488578  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2345: real time      1.2401
    TRIAL :  cpu time    574.1427: real time    578.7999
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2655: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    576.3700: real time    581.0406

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3469917E-04  (-0.1920591E-04)
 number of electron      15.0000000 magnetization      -0.0000035
 augmentation part       -0.0009312 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.05624172
  -exchange      EXHF   =        33.25962741
  -V(xc)+E(xc)   XCENC  =       -83.55030351
  PAW double counting   =    100914.40250409  -100813.44358792
  entropy T*S    EENTRO =        -0.00490031
  eigenvalues    EBANDS =       -35.29808430
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207785 eV

  energy without entropy =      -13.89717754  energy(sigma->0) =      -13.90044441
  exchange ACFDT corr.  =        -0.00487628  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7284
    SETDIJ:  cpu time      1.2358: real time      1.2414
    TRIAL :  cpu time    574.7871: real time    579.4174
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    577.0150: real time    581.6584

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1279559E-04  (-0.1309760E-04)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0009296 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.01780284
  -exchange      EXHF   =        33.25963432
  -V(xc)+E(xc)   XCENC  =       -83.55030070
  PAW double counting   =    100919.94576381  -100818.98688505
  entropy T*S    EENTRO =        -0.00489225
  eigenvalues    EBANDS =       -35.33652380
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209065 eV

  energy without entropy =      -13.89719840  energy(sigma->0) =      -13.90045990
  exchange ACFDT corr.  =        -0.00486324  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      9(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7286
    SETDIJ:  cpu time      1.2362: real time      1.2416
    TRIAL :  cpu time    575.7315: real time    580.4212
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    570.9602: real time    575.6242
    CHARGE:  cpu time      0.2645: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time   1148.9205: real time   1158.2872

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9210271E-05  (-0.9049437E-05)
 number of electron      15.0000000 magnetization      -0.0000032
 augmentation part       -0.0009272 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.20753967
  -Hartree energ DENC   =      -699.03707810
  -exchange      EXHF   =        33.25979458
  -V(xc)+E(xc)   XCENC  =       -83.55026032
  PAW double counting   =    100926.43184284  -100825.47297068
  entropy T*S    EENTRO =        -0.00488702
  eigenvalues    EBANDS =       -35.31740195
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209986 eV

  energy without entropy =      -13.89721283  energy(sigma->0) =      -13.90047085
  exchange ACFDT corr.  =        -0.00485655  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9494


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8787       2 -69.7773       3 -69.7885       4 -69.7906       5 -69.9141
 
 
 
 E-fermi :   3.1536     XC(G=0):  -5.1209     alpha+bet : -8.9779

 Fermi energy:         3.1535935677

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8882      1.00000
      2      -9.9954      1.00000
      3      -8.6257      1.00000
      4      -6.7584      1.00000
      5      -4.3395      1.00000
      6      -1.5938      1.00000
      7       1.6090      1.00000
      8       4.6271     -0.00000
      9       5.4127     -0.00000
     10       7.9281     -0.00000
     11       7.9874     -0.00000
     12      11.8914      0.00000
     13      12.1825      0.00000
     14      16.0682      0.00000
     15      16.1767      0.00000
     16      16.2873      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7863      1.00000
      3      -8.4155      1.00000
      4      -6.5465      1.00000
      5      -4.1234      1.00000
      6      -1.3837      1.00000
      7       1.8227      1.00000
      8       4.8099     -0.00000
      9       5.5870     -0.00000
     10       8.0960     -0.00000
     11       8.1524     -0.00000
     12      12.0199      0.00000
     13      12.2793      0.00000
     14      13.1227      0.00000
     15      13.8509      0.00000
     16      14.3464      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7863      1.00000
      3      -8.4155      1.00000
      4      -6.5465      1.00000
      5      -4.1234      1.00000
      6      -1.3837      1.00000
      7       1.8227      1.00000
      8       4.8099     -0.00000
      9       5.5870     -0.00000
     10       8.0960     -0.00000
     11       8.1524     -0.00000
     12      12.0199      0.00000
     13      12.2793      0.00000
     14      13.1227      0.00000
     15      13.8486      0.00000
     16      14.4513      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7863      1.00000
      3      -8.4155      1.00000
      4      -6.5465      1.00000
      5      -4.1234      1.00000
      6      -1.3837      1.00000
      7       1.8227      1.00000
      8       4.8099     -0.00000
      9       5.5870     -0.00000
     10       8.0960     -0.00000
     11       8.1524     -0.00000
     12      12.0199      0.00000
     13      12.2793      0.00000
     14      13.1227      0.00000
     15      13.8489      0.00000
     16      14.3446      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0541      1.00000
      2      -9.1589      1.00000
      3      -7.7848      1.00000
      4      -5.9108      1.00000
      5      -3.4765      1.00000
      6      -0.7543      1.00000
      7       2.4494      1.00000
      8       5.3415     -0.00000
      9       6.1050     -0.00000
     10       8.4801     -0.00000
     11       8.6264      0.00000
     12       9.7316      0.00000
     13      10.2679      0.00000
     14      11.3709      0.00000
     15      12.5030      0.00000
     16      12.7736      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0541      1.00000
      2      -9.1589      1.00000
      3      -7.7848      1.00000
      4      -5.9108      1.00000
      5      -3.4765      1.00000
      6      -0.7543      1.00000
      7       2.4494      1.00000
      8       5.3415     -0.00000
      9       6.1050     -0.00000
     10       8.4801     -0.00000
     11       8.6264      0.00000
     12       9.7316      0.00000
     13      10.2679      0.00000
     14      11.3709      0.00000
     15      12.5063      0.00000
     16      12.8052      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0541      1.00000
      2      -9.1589      1.00000
      3      -7.7848      1.00000
      4      -5.9108      1.00000
      5      -3.4765      1.00000
      6      -0.7543      1.00000
      7       2.4494      1.00000
      8       5.3415     -0.00000
      9       6.1050     -0.00000
     10       8.4801     -0.00000
     11       8.6264      0.00000
     12       9.7316      0.00000
     13      10.2679      0.00000
     14      11.3709      0.00000
     15      12.5075      0.00000
     16      12.8598      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0108      1.00000
      2      -8.1122      1.00000
      3      -6.7325      1.00000
      4      -4.8513      1.00000
      5      -2.4044      1.00000
      6       0.2838      1.00000
      7       3.4084     -0.03496
      8       5.6462     -0.00000
      9       6.5437     -0.00000
     10       6.8601     -0.00000
     11       7.0516     -0.00000
     12       8.0595     -0.00000
     13       9.4045      0.00000
     14       9.5814      0.00000
     15       9.8044      0.00000
     16      11.5871      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0108      1.00000
      2      -8.1122      1.00000
      3      -6.7325      1.00000
      4      -4.8513      1.00000
      5      -2.4044      1.00000
      6       0.2838      1.00000
      7       3.4084     -0.03496
      8       5.6462     -0.00000
      9       6.5437     -0.00000
     10       6.8601     -0.00000
     11       7.0516     -0.00000
     12       8.0595     -0.00000
     13       9.4045      0.00000
     14       9.5814      0.00000
     15       9.8044      0.00000
     16      11.5951      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0108      1.00000
      2      -8.1122      1.00000
      3      -6.7325      1.00000
      4      -4.8513      1.00000
      5      -2.4044      1.00000
      6       0.2838      1.00000
      7       3.4084     -0.03496
      8       5.6462     -0.00000
      9       6.5437     -0.00000
     10       6.8601     -0.00000
     11       7.0516     -0.00000
     12       8.0595     -0.00000
     13       9.4045      0.00000
     14       9.5814      0.00000
     15       9.8044      0.00000
     16      11.6217      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5477      1.00000
      2      -6.6437      1.00000
      3      -5.2571      1.00000
      4      -3.3719      1.00000
      5      -0.9381      1.00000
      6       1.5746      1.00000
      7       2.5508      1.00009
      8       3.5192     -0.01327
      9       4.7952     -0.00000
     10       5.1252     -0.00000
     11       6.5265     -0.00000
     12       7.6501     -0.00000
     13       8.2137     -0.00000
     14       8.7079      0.00000
     15      10.5167      0.00000
     16      10.8301      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5477      1.00000
      2      -6.6437      1.00000
      3      -5.2571      1.00000
      4      -3.3719      1.00000
      5      -0.9381      1.00000
      6       1.5746      1.00000
      7       2.5508      1.00009
      8       3.5192     -0.01327
      9       4.7952     -0.00000
     10       5.1252     -0.00000
     11       6.5265     -0.00000
     12       7.6501     -0.00000
     13       8.2137     -0.00000
     14       8.7079      0.00000
     15      10.5170      0.00000
     16      10.8288      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5477      1.00000
      2      -6.6437      1.00000
      3      -5.2571      1.00000
      4      -3.3719      1.00000
      5      -0.9381      1.00000
      6       1.5746      1.00000
      7       2.5508      1.00009
      8       3.5192     -0.01327
      9       4.7952     -0.00000
     10       5.1252     -0.00000
     11       6.5265     -0.00000
     12       7.6501     -0.00000
     13       8.2137     -0.00000
     14       8.7079      0.00000
     15      10.5168      0.00000
     16      10.8281      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6610      1.00000
      2      -4.7512      1.00000
      3      -3.3635      1.00000
      4      -1.5189      1.00000
      5      -0.6628      1.00000
      6       0.1108      1.00000
      7       1.1108      1.00000
      8       2.0120      1.00000
      9       3.6494     -0.00125
     10       3.7425     -0.00012
     11       5.9307     -0.00000
     12       6.7014     -0.00000
     13       8.2323     -0.00000
     14       9.1951      0.00000
     15       9.7538      0.00000
     16      10.6139      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6610      1.00000
      2      -4.7512      1.00000
      3      -3.3635      1.00000
      4      -1.5189      1.00000
      5      -0.6628      1.00000
      6       0.1108      1.00000
      7       1.1108      1.00000
      8       2.0120      1.00000
      9       3.6494     -0.00125
     10       3.7425     -0.00012
     11       5.9307     -0.00000
     12       6.7014     -0.00000
     13       8.2323     -0.00000
     14       9.1949      0.00000
     15       9.7538      0.00000
     16      10.4117      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6610      1.00000
      2      -4.7512      1.00000
      3      -3.3635      1.00000
      4      -1.5189      1.00000
      5      -0.6628      1.00000
      6       0.1108      1.00000
      7       1.1108      1.00000
      8       2.0120      1.00000
      9       3.6494     -0.00125
     10       3.7425     -0.00012
     11       5.9307     -0.00000
     12       6.7014     -0.00000
     13       8.2323     -0.00000
     14       9.1949      0.00000
     15       9.7537      0.00000
     16      10.4631      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3627      1.00000
      2      -3.3399      1.00000
      3      -2.4556      1.00000
      4      -2.4396      1.00000
      5      -1.3010      1.00000
      6      -0.9062      1.00000
      7       0.6424      1.00000
      8       1.3843      1.00000
      9       3.3836     -0.03460
     10       3.5200     -0.01292
     11       5.6747     -0.00000
     12       6.0145     -0.00000
     13       8.4001     -0.00000
     14       8.8572      0.00000
     15      10.2410      0.00000
     16      10.5397      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3627      1.00000
      2      -3.3399      1.00000
      3      -2.4556      1.00000
      4      -2.4396      1.00000
      5      -1.3010      1.00000
      6      -0.9062      1.00000
      7       0.6425      1.00000
      8       1.3843      1.00000
      9       3.3836     -0.03460
     10       3.5200     -0.01292
     11       5.6747     -0.00000
     12       6.0145     -0.00000
     13       8.4001     -0.00000
     14       8.8572      0.00000
     15      10.2444      0.00000
     16      10.5735      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3627      1.00000
      2      -3.3399      1.00000
      3      -2.4556      1.00000
      4      -2.4396      1.00000
      5      -1.3010      1.00000
      6      -0.9062      1.00000
      7       0.6424      1.00000
      8       1.3843      1.00000
      9       3.3836     -0.03460
     10       3.5200     -0.01292
     11       5.6747     -0.00000
     12       6.0145     -0.00000
     13       8.4001     -0.00000
     14       8.8572      0.00000
     15      10.2385      0.00000
     16      10.5387      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2626      1.00000
      2      -9.3681      1.00000
      3      -7.9951      1.00000
      4      -6.1227      1.00000
      5      -3.6919      1.00000
      6      -0.9638      1.00000
      7       2.2433      1.00000
      8       5.1689     -0.00000
      9       5.9337     -0.00000
     10       8.4209     -0.00000
     11       8.4608     -0.00000
     12      11.4337      0.00000
     13      11.4486      0.00000
     14      11.8822      0.00000
     15      12.0085      0.00000
     16      12.6618      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2626      1.00000
      2      -9.3681      1.00000
      3      -7.9951      1.00000
      4      -6.1227      1.00000
      5      -3.6919      1.00000
      6      -0.9638      1.00000
      7       2.2433      1.00000
      8       5.1689     -0.00000
      9       5.9337     -0.00000
     10       8.4209     -0.00000
     11       8.4608     -0.00000
     12      11.4337      0.00000
     13      11.4510      0.00000
     14      11.8835      0.00000
     15      12.0074      0.00000
     16      12.6642      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2626      1.00000
      2      -9.3681      1.00000
      3      -7.9951      1.00000
      4      -6.1227      1.00000
      5      -3.6919      1.00000
      6      -0.9638      1.00000
      7       2.2433      1.00000
      8       5.1689     -0.00000
      9       5.9337     -0.00000
     10       8.4209     -0.00000
     11       8.4608     -0.00000
     12      11.4338      0.00000
     13      11.4473      0.00000
     14      11.8838      0.00000
     15      12.0106      0.00000
     16      12.6591      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7143      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1834      0.00000
     16      10.7142      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7145      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1834      0.00000
     16      10.7140      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7147      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1834      0.00000
     16      10.7138      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9022      0.00000
     15       9.5943      0.00000
     16      10.1886      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9019      0.00000
     15       9.5958      0.00000
     16      10.0664      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9040      0.00000
     15       9.6030      0.00000
     16      10.2601      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9076      0.00000
     15       9.5957      0.00000
     16      10.2534      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9020      0.00000
     15       9.5925      0.00000
     16      10.1058      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9062      0.00000
     15       9.9353      0.00000
     16      10.2136      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00126
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6524      0.00000
     15       9.1006      0.00000
     16       9.1222      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9805     -0.00000
     14       8.6521      0.00000
     15       9.1006      0.00000
     16       9.1220      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00126
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9805     -0.00000
     14       8.6517      0.00000
     15       9.1006      0.00000
     16       9.1199      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00126
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6518      0.00000
     15       9.1006      0.00000
     16       9.1209      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00126
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6525      0.00000
     15       9.1007      0.00000
     16       9.1235      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6518      0.00000
     15       9.1013      0.00000
     16       9.1202      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8313      0.00000
     16       9.6983      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8312      0.00000
     16       9.7139      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8335      0.00000
     16       9.7252      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8312      0.00000
     16       9.6948      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8314      0.00000
     16       9.6935      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8318      0.00000
     16       9.7336      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3844      1.00000
      2      -7.4835      1.00000
      3      -6.1006      1.00000
      4      -4.2161      1.00000
      5      -1.7665      1.00000
      6       0.8983      1.00000
      7       3.9497     -0.00000
      8       6.0193     -0.00000
      9       6.4975     -0.00000
     10       7.2256     -0.00000
     11       7.3176     -0.00000
     12       7.4807     -0.00000
     13       7.6013     -0.00000
     14       8.3708     -0.00000
     15       8.7399      0.00000
     16      10.0576      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3844      1.00000
      2      -7.4835      1.00000
      3      -6.1006      1.00000
      4      -4.2161      1.00000
      5      -1.7665      1.00000
      6       0.8983      1.00000
      7       3.9497     -0.00000
      8       6.0193     -0.00000
      9       6.4975     -0.00000
     10       7.2256     -0.00000
     11       7.3176     -0.00000
     12       7.4807     -0.00000
     13       7.6013     -0.00000
     14       8.3707     -0.00000
     15       8.7384      0.00000
     16      10.0631      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3844      1.00000
      2      -7.4835      1.00000
      3      -6.1006      1.00000
      4      -4.2161      1.00000
      5      -1.7665      1.00000
      6       0.8983      1.00000
      7       3.9497     -0.00000
      8       6.0193     -0.00000
      9       6.4975     -0.00000
     10       7.2256     -0.00000
     11       7.3176     -0.00000
     12       7.4807     -0.00000
     13       7.6013     -0.00000
     14       8.3707     -0.00000
     15       8.7383      0.00000
     16      10.0564      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55106
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4143     -0.00000
     16       8.7576      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55106
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4143     -0.00000
     16       8.7590      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4147     -0.00000
     16       8.7580      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55106
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4150     -0.00000
     16       8.7579      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4142     -0.00000
     16       8.7592      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55106
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -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      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8464      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8476      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8493      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8683      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8814      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8810      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7368      1.00000
      2      -2.7139      1.00000
      3      -1.8275      1.00000
      4      -1.8219      1.00000
      5      -0.6868      1.00000
      6      -0.2930      1.00000
      7       1.2429      1.00000
      8       1.9759      1.00000
      9       3.7714     -0.00006
     10       3.9008     -0.00000
     11       4.7187     -0.00000
     12       5.7509     -0.00000
     13       6.3936     -0.00000
     14       6.7493     -0.00000
     15       7.1207     -0.00000
     16       8.7599      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7368      1.00000
      2      -2.7139      1.00000
      3      -1.8275      1.00000
      4      -1.8219      1.00000
      5      -0.6868      1.00000
      6      -0.2930      1.00000
      7       1.2429      1.00000
      8       1.9759      1.00000
      9       3.7714     -0.00006
     10       3.9008     -0.00000
     11       4.7187     -0.00000
     12       5.7509     -0.00000
     13       6.3936     -0.00000
     14       6.7493     -0.00000
     15       7.1207     -0.00000
     16       8.7275      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7368      1.00000
      2      -2.7139      1.00000
      3      -1.8275      1.00000
      4      -1.8219      1.00000
      5      -0.6868      1.00000
      6      -0.2930      1.00000
      7       1.2429      1.00000
      8       1.9759      1.00000
      9       3.7714     -0.00006
     10       3.9008     -0.00000
     11       4.7187     -0.00000
     12       5.7509     -0.00000
     13       6.3936     -0.00000
     14       6.7493     -0.00000
     15       7.1207     -0.00000
     16       8.7236      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2437      1.00000
      2      -4.3330      1.00000
      3      -2.9432      1.00000
      4      -1.0826      1.00000
      5       1.1477      1.00000
      6       2.1033      1.00000
      7       2.2658      1.00000
      8       2.9823      1.00223
      9       3.4346     -0.03156
     10       4.2225     -0.00000
     11       4.4833     -0.00000
     12       4.8502     -0.00000
     13       6.2127     -0.00000
     14       6.8526     -0.00000
     15       7.2458     -0.00000
     16       8.6859      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2437      1.00000
      2      -4.3330      1.00000
      3      -2.9432      1.00000
      4      -1.0826      1.00000
      5       1.1477      1.00000
      6       2.1033      1.00000
      7       2.2658      1.00000
      8       2.9823      1.00224
      9       3.4346     -0.03156
     10       4.2225     -0.00000
     11       4.4833     -0.00000
     12       4.8502     -0.00000
     13       6.2127     -0.00000
     14       6.8526     -0.00000
     15       7.2458     -0.00000
     16       8.6956      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2437      1.00000
      2      -4.3330      1.00000
      3      -2.9432      1.00000
      4      -1.0826      1.00000
      5       1.1477      1.00000
      6       2.1033      1.00000
      7       2.2658      1.00000
      8       2.9823      1.00223
      9       3.4346     -0.03156
     10       4.2225     -0.00000
     11       4.4833     -0.00000
     12       4.8502     -0.00000
     13       6.2127     -0.00000
     14       6.8526     -0.00000
     15       7.2458     -0.00000
     16       8.6985      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38473
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2238     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38475
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2709     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38474
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2353     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38474
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2397     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38475
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2333     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38474
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.4182     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8740      1.00000
      2      -0.8559      1.00000
      3      -0.8304      1.00000
      4      -0.0255      1.00000
      5       0.0428      1.00000
      6       0.0533      1.00000
      7       1.0807      1.00000
      8       1.0941      1.00000
      9       1.7901      1.00000
     10       2.6847      1.00227
     11       4.0795     -0.00000
     12       4.1171     -0.00000
     13       5.9734     -0.00000
     14       5.9976     -0.00000
     15       6.0516     -0.00000
     16       8.0159     -0.00000
 Fermi energy:         3.1535935677

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8882      1.00000
      2      -9.9954      1.00000
      3      -8.6257      1.00000
      4      -6.7584      1.00000
      5      -4.3395      1.00000
      6      -1.5938      1.00000
      7       1.6090      1.00000
      8       4.6271     -0.00000
      9       5.4127     -0.00000
     10       7.9281     -0.00000
     11       7.9874     -0.00000
     12      11.8914      0.00000
     13      12.1825      0.00000
     14      16.0683      0.00000
     15      16.2793      0.00000
     16      16.4108      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7863      1.00000
      3      -8.4155      1.00000
      4      -6.5465      1.00000
      5      -4.1234      1.00000
      6      -1.3837      1.00000
      7       1.8227      1.00000
      8       4.8099     -0.00000
      9       5.5870     -0.00000
     10       8.0960     -0.00000
     11       8.1524     -0.00000
     12      12.0199      0.00000
     13      12.2793      0.00000
     14      13.1227      0.00000
     15      13.8485      0.00000
     16      14.3311      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7863      1.00000
      3      -8.4155      1.00000
      4      -6.5465      1.00000
      5      -4.1234      1.00000
      6      -1.3837      1.00000
      7       1.8227      1.00000
      8       4.8099     -0.00000
      9       5.5870     -0.00000
     10       8.0960     -0.00000
     11       8.1524     -0.00000
     12      12.0199      0.00000
     13      12.2793      0.00000
     14      13.1227      0.00000
     15      13.8485      0.00000
     16      14.3286      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7863      1.00000
      3      -8.4155      1.00000
      4      -6.5465      1.00000
      5      -4.1234      1.00000
      6      -1.3837      1.00000
      7       1.8227      1.00000
      8       4.8099     -0.00000
      9       5.5870     -0.00000
     10       8.0960     -0.00000
     11       8.1524     -0.00000
     12      12.0199      0.00000
     13      12.2793      0.00000
     14      13.1227      0.00000
     15      13.8493      0.00000
     16      14.3395      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0541      1.00000
      2      -9.1589      1.00000
      3      -7.7848      1.00000
      4      -5.9108      1.00000
      5      -3.4765      1.00000
      6      -0.7543      1.00000
      7       2.4494      1.00000
      8       5.3415     -0.00000
      9       6.1050     -0.00000
     10       8.4801     -0.00000
     11       8.6264      0.00000
     12       9.7316      0.00000
     13      10.2679      0.00000
     14      11.3709      0.00000
     15      12.5121      0.00000
     16      12.8579      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0541      1.00000
      2      -9.1589      1.00000
      3      -7.7848      1.00000
      4      -5.9108      1.00000
      5      -3.4765      1.00000
      6      -0.7543      1.00000
      7       2.4494      1.00000
      8       5.3415     -0.00000
      9       6.1050     -0.00000
     10       8.4801     -0.00000
     11       8.6264      0.00000
     12       9.7316      0.00000
     13      10.2679      0.00000
     14      11.3709      0.00000
     15      12.5033      0.00000
     16      12.7717      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0541      1.00000
      2      -9.1589      1.00000
      3      -7.7848      1.00000
      4      -5.9108      1.00000
      5      -3.4765      1.00000
      6      -0.7543      1.00000
      7       2.4494      1.00000
      8       5.3415     -0.00000
      9       6.1050     -0.00000
     10       8.4801     -0.00000
     11       8.6264      0.00000
     12       9.7316      0.00000
     13      10.2679      0.00000
     14      11.3709      0.00000
     15      12.5074      0.00000
     16      12.8225      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0108      1.00000
      2      -8.1122      1.00000
      3      -6.7325      1.00000
      4      -4.8513      1.00000
      5      -2.4044      1.00000
      6       0.2838      1.00000
      7       3.4084     -0.03496
      8       5.6462     -0.00000
      9       6.5437     -0.00000
     10       6.8601     -0.00000
     11       7.0516     -0.00000
     12       8.0595     -0.00000
     13       9.4045      0.00000
     14       9.5814      0.00000
     15       9.8044      0.00000
     16      11.5894      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0108      1.00000
      2      -8.1122      1.00000
      3      -6.7325      1.00000
      4      -4.8513      1.00000
      5      -2.4044      1.00000
      6       0.2838      1.00000
      7       3.4084     -0.03496
      8       5.6462     -0.00000
      9       6.5437     -0.00000
     10       6.8601     -0.00000
     11       7.0516     -0.00000
     12       8.0595     -0.00000
     13       9.4045      0.00000
     14       9.5814      0.00000
     15       9.8044      0.00000
     16      11.6145      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0108      1.00000
      2      -8.1122      1.00000
      3      -6.7325      1.00000
      4      -4.8513      1.00000
      5      -2.4044      1.00000
      6       0.2838      1.00000
      7       3.4084     -0.03496
      8       5.6462     -0.00000
      9       6.5437     -0.00000
     10       6.8601     -0.00000
     11       7.0516     -0.00000
     12       8.0595     -0.00000
     13       9.4045      0.00000
     14       9.5814      0.00000
     15       9.8044      0.00000
     16      11.5984      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5477      1.00000
      2      -6.6437      1.00000
      3      -5.2571      1.00000
      4      -3.3719      1.00000
      5      -0.9381      1.00000
      6       1.5746      1.00000
      7       2.5508      1.00009
      8       3.5192     -0.01327
      9       4.7952     -0.00000
     10       5.1252     -0.00000
     11       6.5264     -0.00000
     12       7.6501     -0.00000
     13       8.2137     -0.00000
     14       8.7079      0.00000
     15      10.5159      0.00000
     16      10.8288      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5477      1.00000
      2      -6.6437      1.00000
      3      -5.2571      1.00000
      4      -3.3719      1.00000
      5      -0.9381      1.00000
      6       1.5746      1.00000
      7       2.5508      1.00009
      8       3.5192     -0.01327
      9       4.7952     -0.00000
     10       5.1252     -0.00000
     11       6.5264     -0.00000
     12       7.6501     -0.00000
     13       8.2137     -0.00000
     14       8.7079      0.00000
     15      10.5187      0.00000
     16      10.8318      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5477      1.00000
      2      -6.6437      1.00000
      3      -5.2571      1.00000
      4      -3.3719      1.00000
      5      -0.9381      1.00000
      6       1.5746      1.00000
      7       2.5508      1.00009
      8       3.5192     -0.01327
      9       4.7952     -0.00000
     10       5.1252     -0.00000
     11       6.5264     -0.00000
     12       7.6501     -0.00000
     13       8.2137     -0.00000
     14       8.7079      0.00000
     15      10.5181      0.00000
     16      10.8338      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6610      1.00000
      2      -4.7512      1.00000
      3      -3.3635      1.00000
      4      -1.5189      1.00000
      5      -0.6628      1.00000
      6       0.1108      1.00000
      7       1.1108      1.00000
      8       2.0120      1.00000
      9       3.6494     -0.00125
     10       3.7425     -0.00012
     11       5.9307     -0.00000
     12       6.7014     -0.00000
     13       8.2323     -0.00000
     14       9.1949      0.00000
     15       9.7537      0.00000
     16      10.4763      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6610      1.00000
      2      -4.7512      1.00000
      3      -3.3635      1.00000
      4      -1.5189      1.00000
      5      -0.6628      1.00000
      6       0.1108      1.00000
      7       1.1108      1.00000
      8       2.0120      1.00000
      9       3.6494     -0.00125
     10       3.7425     -0.00012
     11       5.9307     -0.00000
     12       6.7014     -0.00000
     13       8.2323     -0.00000
     14       9.1949      0.00000
     15       9.7537      0.00000
     16      10.5273      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6610      1.00000
      2      -4.7512      1.00000
      3      -3.3635      1.00000
      4      -1.5189      1.00000
      5      -0.6628      1.00000
      6       0.1108      1.00000
      7       1.1108      1.00000
      8       2.0120      1.00000
      9       3.6494     -0.00125
     10       3.7425     -0.00012
     11       5.9307     -0.00000
     12       6.7014     -0.00000
     13       8.2323     -0.00000
     14       9.1949      0.00000
     15       9.7539      0.00000
     16      10.5343      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3627      1.00000
      2      -3.3399      1.00000
      3      -2.4556      1.00000
      4      -2.4396      1.00000
      5      -1.3010      1.00000
      6      -0.9062      1.00000
      7       0.6424      1.00000
      8       1.3843      1.00000
      9       3.3836     -0.03460
     10       3.5200     -0.01292
     11       5.6747     -0.00000
     12       6.0145     -0.00000
     13       8.4001     -0.00000
     14       8.8572      0.00000
     15      10.3057      0.00000
     16      10.6326      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3627      1.00000
      2      -3.3399      1.00000
      3      -2.4556      1.00000
      4      -2.4396      1.00000
      5      -1.3010      1.00000
      6      -0.9062      1.00000
      7       0.6424      1.00000
      8       1.3843      1.00000
      9       3.3836     -0.03460
     10       3.5200     -0.01292
     11       5.6747     -0.00000
     12       6.0145     -0.00000
     13       8.4001     -0.00000
     14       8.8572      0.00000
     15      10.2468      0.00000
     16      10.5439      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3627      1.00000
      2      -3.3399      1.00000
      3      -2.4556      1.00000
      4      -2.4396      1.00000
      5      -1.3010      1.00000
      6      -0.9062      1.00000
      7       0.6424      1.00000
      8       1.3843      1.00000
      9       3.3836     -0.03460
     10       3.5200     -0.01292
     11       5.6747     -0.00000
     12       6.0145     -0.00000
     13       8.4001     -0.00000
     14       8.8572      0.00000
     15      10.2896      0.00000
     16      10.5402      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2626      1.00000
      2      -9.3681      1.00000
      3      -7.9951      1.00000
      4      -6.1227      1.00000
      5      -3.6919      1.00000
      6      -0.9638      1.00000
      7       2.2433      1.00000
      8       5.1689     -0.00000
      9       5.9337     -0.00000
     10       8.4209     -0.00000
     11       8.4608     -0.00000
     12      11.4337      0.00000
     13      11.4474      0.00000
     14      11.8823      0.00000
     15      12.0100      0.00000
     16      12.6531      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2626      1.00000
      2      -9.3681      1.00000
      3      -7.9951      1.00000
      4      -6.1227      1.00000
      5      -3.6919      1.00000
      6      -0.9638      1.00000
      7       2.2433      1.00000
      8       5.1689     -0.00000
      9       5.9337     -0.00000
     10       8.4209     -0.00000
     11       8.4608     -0.00000
     12      11.4337      0.00000
     13      11.4471      0.00000
     14      11.8838      0.00000
     15      12.0115      0.00000
     16      12.6413      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2626      1.00000
      2      -9.3681      1.00000
      3      -7.9951      1.00000
      4      -6.1227      1.00000
      5      -3.6919      1.00000
      6      -0.9638      1.00000
      7       2.2433      1.00000
      8       5.1689     -0.00000
      9       5.9337     -0.00000
     10       8.4209     -0.00000
     11       8.4608     -0.00000
     12      11.4336      0.00000
     13      11.4475      0.00000
     14      11.8813      0.00000
     15      12.0306      0.00000
     16      12.7158      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7138      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1837      0.00000
     16      10.7145      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7138      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1834      0.00000
     16      10.7139      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7137      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4282      1.00000
      2      -8.5311      1.00000
      3      -7.1537      1.00000
      4      -5.2750      1.00000
      5      -2.8319      1.00000
      6      -0.1284      1.00000
      7       3.0496      0.87545
      8       5.8208     -0.00000
      9       6.6024     -0.00000
     10       7.8631     -0.00000
     11       8.5795     -0.00000
     12       9.0038      0.00000
     13       9.4212      0.00000
     14       9.8293      0.00000
     15      10.1835      0.00000
     16      10.7137      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9019      0.00000
     15       9.5915      0.00000
     16      10.0747      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9042      0.00000
     15       9.5948      0.00000
     16      10.1760      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9026      0.00000
     15       9.5913      0.00000
     16      10.1490      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9041      0.00000
     15       9.5929      0.00000
     16      10.1492      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9020      0.00000
     15       9.5988      0.00000
     16      10.2755      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1753      1.00000
      2      -7.2737      1.00000
      3      -5.8898      1.00000
      4      -4.0047      1.00000
      5      -1.5568      1.00000
      6       1.0900      1.00000
      7       3.8102     -0.00002
      8       4.6799     -0.00000
      9       5.3967     -0.00000
     10       6.5045     -0.00000
     11       7.0861     -0.00000
     12       7.6980     -0.00000
     13       8.1822     -0.00000
     14       8.9016      0.00000
     15       9.5914      0.00000
     16      10.1650      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6521      0.00000
     15       9.1013      0.00000
     16       9.1230      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6521      0.00000
     15       9.1006      0.00000
     16       9.1217      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9805     -0.00000
     14       8.6517      0.00000
     15       9.1011      0.00000
     16       9.1201      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6517      0.00000
     15       9.1007      0.00000
     16       9.1209      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9805     -0.00000
     14       8.6517      0.00000
     15       9.1006      0.00000
     16       9.1200      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5008      1.00000
      2      -5.5931      1.00000
      3      -4.2036      1.00000
      4      -2.3252      1.00000
      5       0.0133      1.00000
      6       1.0040      1.00000
      7       1.9725      1.00000
      8       2.9834      1.00127
      9       3.5178     -0.01336
     10       5.1970     -0.00000
     11       5.8975     -0.00000
     12       7.3241     -0.00000
     13       7.9804     -0.00000
     14       8.6520      0.00000
     15       9.1007      0.00000
     16       9.1207      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8320      0.00000
     16       9.6939      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8313      0.00000
     16       9.6986      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8312      0.00000
     16       9.6998      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8312      0.00000
     16       9.6942      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8313      0.00000
     16       9.6935      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4014      1.00000
      2      -3.4913      1.00000
      3      -2.1203      1.00000
      4      -1.8893      1.00000
      5      -1.0472      1.00000
      6      -0.3600      1.00000
      7       0.6398      1.00000
      8       2.2900      1.00000
      9       2.6632      1.00148
     10       4.7290     -0.00000
     11       4.9049     -0.00000
     12       7.0252     -0.00000
     13       7.4868     -0.00000
     14       8.0147     -0.00000
     15       8.8312      0.00000
     16       9.7135      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3844      1.00000
      2      -7.4835      1.00000
      3      -6.1006      1.00000
      4      -4.2161      1.00000
      5      -1.7665      1.00000
      6       0.8983      1.00000
      7       3.9497     -0.00000
      8       6.0193     -0.00000
      9       6.4975     -0.00000
     10       7.2256     -0.00000
     11       7.3176     -0.00000
     12       7.4807     -0.00000
     13       7.6013     -0.00000
     14       8.3707     -0.00000
     15       8.7383      0.00000
     16      10.0589      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3844      1.00000
      2      -7.4835      1.00000
      3      -6.1006      1.00000
      4      -4.2161      1.00000
      5      -1.7665      1.00000
      6       0.8983      1.00000
      7       3.9497     -0.00000
      8       6.0193     -0.00000
      9       6.4975     -0.00000
     10       7.2256     -0.00000
     11       7.3176     -0.00000
     12       7.4807     -0.00000
     13       7.6013     -0.00000
     14       8.3707     -0.00000
     15       8.7383      0.00000
     16      10.0538      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3844      1.00000
      2      -7.4835      1.00000
      3      -6.1006      1.00000
      4      -4.2161      1.00000
      5      -1.7665      1.00000
      6       0.8983      1.00000
      7       3.9497     -0.00000
      8       6.0193     -0.00000
      9       6.4975     -0.00000
     10       7.2256     -0.00000
     11       7.3176     -0.00000
     12       7.4806     -0.00000
     13       7.6013     -0.00000
     14       8.3707     -0.00000
     15       8.7383      0.00000
     16      10.0658      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4146     -0.00000
     16       8.7574      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4148     -0.00000
     16       8.7580      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4143     -0.00000
     16       8.7586      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0130     -0.00000
     14       7.7589     -0.00000
     15       8.4142     -0.00000
     16       8.7582      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4147     -0.00000
     16       8.7574      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9205      1.00000
      2      -6.0142      1.00000
      3      -4.6251      1.00000
      4      -2.7401      1.00000
      5      -0.3178      1.00000
      6       2.1597      1.00000
      7       3.1396      0.55107
      8       4.0941     -0.00000
      9       5.0880     -0.00000
     10       5.3523     -0.00000
     11       5.9033     -0.00000
     12       6.4743     -0.00000
     13       7.0131     -0.00000
     14       7.7589     -0.00000
     15       8.4142     -0.00000
     16       8.7589      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8469      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8331      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8478      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8524      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8633      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0330      1.00000
      2      -4.1222      1.00000
      3      -2.7352      1.00000
      4      -0.9009      1.00000
      5      -0.0462      1.00000
      6       0.7128      1.00000
      7       1.7016      1.00000
      8       2.5839      1.00022
      9       4.0706     -0.00000
     10       4.2707     -0.00000
     11       4.8709     -0.00000
     12       5.7226     -0.00000
     13       6.6211     -0.00000
     14       7.3921     -0.00000
     15       7.5163     -0.00000
     16       8.8736      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7368      1.00000
      2      -2.7139      1.00000
      3      -1.8275      1.00000
      4      -1.8219      1.00000
      5      -0.6868      1.00000
      6      -0.2930      1.00000
      7       1.2429      1.00000
      8       1.9759      1.00000
      9       3.7714     -0.00006
     10       3.9008     -0.00000
     11       4.7187     -0.00000
     12       5.7509     -0.00000
     13       6.3936     -0.00000
     14       6.7493     -0.00000
     15       7.1207     -0.00000
     16       8.6888      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7368      1.00000
      2      -2.7139      1.00000
      3      -1.8275      1.00000
      4      -1.8219      1.00000
      5      -0.6868      1.00000
      6      -0.2930      1.00000
      7       1.2429      1.00000
      8       1.9759      1.00000
      9       3.7714     -0.00006
     10       3.9008     -0.00000
     11       4.7187     -0.00000
     12       5.7509     -0.00000
     13       6.3936     -0.00000
     14       6.7493     -0.00000
     15       7.1207     -0.00000
     16       8.6816      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7368      1.00000
      2      -2.7139      1.00000
      3      -1.8275      1.00000
      4      -1.8219      1.00000
      5      -0.6868      1.00000
      6      -0.2930      1.00000
      7       1.2429      1.00000
      8       1.9759      1.00000
      9       3.7714     -0.00006
     10       3.9008     -0.00000
     11       4.7187     -0.00000
     12       5.7509     -0.00000
     13       6.3936     -0.00000
     14       6.7493     -0.00000
     15       7.1207     -0.00000
     16       8.7069      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2437      1.00000
      2      -4.3330      1.00000
      3      -2.9432      1.00000
      4      -1.0826      1.00000
      5       1.1477      1.00000
      6       2.1033      1.00000
      7       2.2658      1.00000
      8       2.9823      1.00224
      9       3.4346     -0.03156
     10       4.2225     -0.00000
     11       4.4833     -0.00000
     12       4.8502     -0.00000
     13       6.2127     -0.00000
     14       6.8526     -0.00000
     15       7.2458     -0.00000
     16       8.6897      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2437      1.00000
      2      -4.3330      1.00000
      3      -2.9432      1.00000
      4      -1.0826      1.00000
      5       1.1477      1.00000
      6       2.1033      1.00000
      7       2.2658      1.00000
      8       2.9823      1.00224
      9       3.4346     -0.03156
     10       4.2225     -0.00000
     11       4.4833     -0.00000
     12       4.8502     -0.00000
     13       6.2127     -0.00000
     14       6.8526     -0.00000
     15       7.2458     -0.00000
     16       8.6862      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2437      1.00000
      2      -4.3330      1.00000
      3      -2.9432      1.00000
      4      -1.0826      1.00000
      5       1.1477      1.00000
      6       2.1033      1.00000
      7       2.2658      1.00000
      8       2.9823      1.00224
      9       3.4346     -0.03156
     10       4.2225     -0.00000
     11       4.4833     -0.00000
     12       4.8502     -0.00000
     13       6.2127     -0.00000
     14       6.8526     -0.00000
     15       7.2458     -0.00000
     16       8.6891      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38476
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2321     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38475
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2549     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38477
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2480     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38477
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2854     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38476
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2444     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1451      1.00000
      2      -2.2388      1.00000
      3      -0.8828      1.00000
      4      -0.6441      1.00000
      5       0.1763      1.00000
      6       0.8209      1.00000
      7       1.7587      1.00000
      8       1.8306      1.00000
      9       2.5486      1.00008
     10       3.1804      0.38476
     11       4.1308     -0.00000
     12       4.6556     -0.00000
     13       6.0467     -0.00000
     14       6.1520     -0.00000
     15       6.3667     -0.00000
     16       8.2793     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8740      1.00000
      2      -0.8559      1.00000
      3      -0.8304      1.00000
      4      -0.0255      1.00000
      5       0.0428      1.00000
      6       0.0533      1.00000
      7       1.0807      1.00000
      8       1.0941      1.00000
      9       1.7901      1.00000
     10       2.6847      1.00227
     11       4.0795     -0.00000
     12       4.1171     -0.00000
     13       5.9734     -0.00000
     14       5.9976     -0.00000
     15       6.0516     -0.00000
     16       8.0174     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000   0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881  -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
115.784 -61.843  -0.000  -0.080  -0.000   0.000  -0.023   0.000
-61.843  33.033   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
 -0.080   0.033  -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    415.9890: real time    418.8988
    FORNL :  cpu time      0.4978: real time      0.5030
    FORCOR:  cpu time      1.9677: real time      1.9784
    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
 -----------------------------------------------------------------------------------------------
   -.129E-05 -.235E-06 0.183E+03   0.436E-13 0.276E-13 -.181E+03   0.237E-05 0.129E-05 -.125E+01
   -.141E-05 -.753E-05 0.910E+02   -.341E-14 0.206E-14 -.910E+02   -.291E-07 0.608E-05 0.188E+00
   0.993E-06 0.197E-05 -.290E+00   -.140E-12 -.809E-13 0.314E+00   -.119E-06 0.143E-05 -.530E-01
   0.270E-05 -.185E-05 -.923E+02   0.138E-12 0.806E-13 0.922E+02   -.443E-05 0.263E-05 0.116E+00
   0.954E-05 -.509E-05 -.181E+03   -.478E-13 -.263E-13 0.180E+03   -.105E-04 0.801E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.123E-04 -.130E-04 -.309E-01   -.971E-14 0.313E-14 0.284E-13   -.127E-04 0.194E-04 0.296E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000002     -0.000000     -0.123695
      0.00000      0.00000      2.33311        -0.000001     -0.000003      0.129599
      1.42873      0.82488      4.66621         0.000001      0.000002     -0.027186
      2.85746      1.64976      6.98755        -0.000001     -0.000000      0.006089
      0.00000      0.00000      9.36830        -0.000000      0.000002      0.015192
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000007     -0.000541


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90209986 eV

  energy  without entropy=      -13.89721283  energy(sigma->0) =      -13.90047085
 
 d Force = 0.1151713E-03[ 0.101E-03, 0.130E-03]  d Energy = 0.1388518E-03-0.237E-04
 d Force = 0.1282083E+01[ 0.128E+01, 0.128E+01]  d Ewald  = 0.1282083E+01-0.400E-07


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


    POTLOK:  cpu time      1.9681: real time      1.9789


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.129E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   7.4001
 eigenvalue spectrum of G is  7.4001  7.4001


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


    WAVPRE:  cpu time      0.0060: real time      0.0721
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0854
    POTLOK:  cpu time      1.9648: real time      1.9758
    EDDIAG:  cpu time    570.8050: real time    575.3464
    CHARGE:  cpu time      0.2648: real time      0.2667
 writing wavefunctions
     LOOP+:  cpu time   6179.5904: real time   6229.8409


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


    POTLOK:  cpu time      0.7231: real time      0.7286
    SETDIJ:  cpu time      1.2339: real time      1.2389
    TRIAL :  cpu time    573.4297: real time    578.0221
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    575.6653: real time    580.2710

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9516978E-03  (-0.6147612E-03)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0009776 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.45358370
  -exchange      EXHF   =        33.25306368
  -V(xc)+E(xc)   XCENC  =       -83.55242771
  PAW double counting   =    100870.78124171  -100769.82170533
  entropy T*S    EENTRO =        -0.00459297
  eigenvalues    EBANDS =       -35.21475534
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90113895 eV

  energy without entropy =      -13.89654598  energy(sigma->0) =      -13.89960796
  exchange ACFDT corr.  =        -0.00462934  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7228: real time      0.7283
    SETDIJ:  cpu time      1.2302: real time      1.2353
    TRIAL :  cpu time    575.4788: real time    580.1031
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    577.7019: real time    582.3390

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3704468E-03  (-0.5514447E-03)
 number of electron      15.0000000 magnetization      -0.0000031
 augmentation part       -0.0009787 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.46291214
  -exchange      EXHF   =        33.25218668
  -V(xc)+E(xc)   XCENC  =       -83.55270384
  PAW double counting   =    100868.66312056  -100767.70353185
  entropy T*S    EENTRO =        -0.00458180
  eigenvalues    EBANDS =       -35.20469497
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90150939 eV

  energy without entropy =      -13.89692759  energy(sigma->0) =      -13.89998213
  exchange ACFDT corr.  =        -0.00462453  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2324: real time      1.2375
    TRIAL :  cpu time    574.4541: real time    579.0720
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    576.6783: real time    581.3088

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3753510E-03  (-0.2374917E-03)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0009836 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.41931731
  -exchange      EXHF   =        33.25113319
  -V(xc)+E(xc)   XCENC  =       -83.55304428
  PAW double counting   =    100867.75692933  -100766.79739959
  entropy T*S    EENTRO =        -0.00456103
  eigenvalues    EBANDS =       -35.24722342
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90188475 eV

  energy without entropy =      -13.89732371  energy(sigma->0) =      -13.90036440
  exchange ACFDT corr.  =        -0.00460988  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7234: real time      0.7290
    SETDIJ:  cpu time      1.2369: real time      1.2419
    TRIAL :  cpu time    573.9138: real time    578.5152
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    576.1434: real time    580.7574

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1784563E-03  (-0.1457234E-03)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0009888 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.34792138
  -exchange      EXHF   =        33.25040580
  -V(xc)+E(xc)   XCENC  =       -83.55329197
  PAW double counting   =    100867.09033612  -100766.13082763
  entropy T*S    EENTRO =        -0.00454188
  eigenvalues    EBANDS =       -35.31782225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90206320 eV

  energy without entropy =      -13.89752132  energy(sigma->0) =      -13.90054924
  exchange ACFDT corr.  =        -0.00459211  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7285
    SETDIJ:  cpu time      1.2349: real time      1.2400
    TRIAL :  cpu time    573.2517: real time    577.8685
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    575.4790: real time    580.1085

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9094944E-04  (-0.7923034E-04)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0009914 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.32879245
  -exchange      EXHF   =        33.25022406
  -V(xc)+E(xc)   XCENC  =       -83.55335331
  PAW double counting   =    100869.83563022  -100768.87619613
  entropy T*S    EENTRO =        -0.00452739
  eigenvalues    EBANDS =       -35.33674380
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90215415 eV

  energy without entropy =      -13.89762676  energy(sigma->0) =      -13.90064502
  exchange ACFDT corr.  =        -0.00457785  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7283
    SETDIJ:  cpu time      1.2299: real time      1.2353
    TRIAL :  cpu time    574.2001: real time    578.8287
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    576.4226: real time    581.0641

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5392298E-04  (-0.3030295E-04)
 number of electron      15.0000000 magnetization      -0.0000032
 augmentation part       -0.0009910 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.36526893
  -exchange      EXHF   =        33.25041700
  -V(xc)+E(xc)   XCENC  =       -83.55328334
  PAW double counting   =    100876.78964262  -100775.83024142
  entropy T*S    EENTRO =        -0.00451427
  eigenvalues    EBANDS =       -35.30056575
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220807 eV

  energy without entropy =      -13.89769381  energy(sigma->0) =      -13.90070332
  exchange ACFDT corr.  =        -0.00456699  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7287
    SETDIJ:  cpu time      1.2334: real time      1.2389
    TRIAL :  cpu time    573.0308: real time    577.6457
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.2571: real time    579.8850

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2305971E-04  (-0.2103768E-04)
 number of electron      15.0000000 magnetization      -0.0000030
 augmentation part       -0.0009885 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.39533902
  -exchange      EXHF   =        33.25062336
  -V(xc)+E(xc)   XCENC  =       -83.55320482
  PAW double counting   =    100885.52859682  -100784.56920995
  entropy T*S    EENTRO =        -0.00450078
  eigenvalues    EBANDS =       -35.27080239
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90223113 eV

  energy without entropy =      -13.89773035  energy(sigma->0) =      -13.90073087
  exchange ACFDT corr.  =        -0.00455750  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2320: real time      1.2375
    TRIAL :  cpu time    573.9692: real time    578.6026
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    576.1938: real time    580.8405

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1402172E-04  (-0.1302388E-04)
 number of electron      15.0000000 magnetization      -0.0000029
 augmentation part       -0.0009852 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.39605766
  -exchange      EXHF   =        33.25069121
  -V(xc)+E(xc)   XCENC  =       -83.55317551
  PAW double counting   =    100894.32933088  -100793.36996259
  entropy T*S    EENTRO =        -0.00448821
  eigenvalues    EBANDS =       -35.27018985
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224516 eV

  energy without entropy =      -13.89775694  energy(sigma->0) =      -13.90074909
  exchange ACFDT corr.  =        -0.00454789  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     10(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7280
    SETDIJ:  cpu time      1.2327: real time      1.2382
    TRIAL :  cpu time    575.2825: real time    579.9049
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    577.5071: real time    582.1425

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1002327E-04  (-0.6912306E-05)
 number of electron      15.0000000 magnetization      -0.0000028
 augmentation part       -0.0009817 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.38771944
  -exchange      EXHF   =        33.25066737
  -V(xc)+E(xc)   XCENC  =       -83.55318028
  PAW double counting   =    100902.22479899  -100801.26541832
  entropy T*S    EENTRO =        -0.00447789
  eigenvalues    EBANDS =       -35.27853442
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90225518 eV

  energy without entropy =      -13.89777729  energy(sigma->0) =      -13.90076255
  exchange ACFDT corr.  =        -0.00453845  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7224: real time      0.7280
    SETDIJ:  cpu time      1.2311: real time      1.2365
    TRIAL :  cpu time    574.3890: real time    579.0177
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    573.3659: real time    578.0931
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time   1149.9783: real time   1159.3471

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5642840E-05  (-0.4867219E-05)
 number of electron      15.0000000 magnetization      -0.0000027
 augmentation part       -0.0009781 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.53023489
  -Hartree energ DENC   =      -697.38442821
  -exchange      EXHF   =        33.25054926
  -V(xc)+E(xc)   XCENC  =       -83.55319753
  PAW double counting   =    100909.21055420  -100808.25116202
  entropy T*S    EENTRO =        -0.00446907
  eigenvalues    EBANDS =       -35.28177845
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90226082 eV

  energy without entropy =      -13.89779175  energy(sigma->0) =      -13.90077113
  exchange ACFDT corr.  =        -0.00453034  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.0447


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8822       2 -69.7768       3 -69.7889       4 -69.7924       5 -69.9120
 
 
 
 E-fermi :   3.1538     XC(G=0):  -5.1220     alpha+bet : -8.9779

 Fermi energy:         3.1538120058

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8807      1.00000
      2      -9.9922      1.00000
      3      -8.6239      1.00000
      4      -6.7576      1.00000
      5      -4.3451      1.00000
      6      -1.5959      1.00000
      7       1.5979      1.00000
      8       4.6210     -0.00000
      9       5.4112     -0.00000
     10       7.9266     -0.00000
     11       7.9835     -0.00000
     12      11.8904      0.00000
     13      12.1789      0.00000
     14      16.0757      0.00000
     15      16.1567      0.00000
     16      16.2362      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6722      1.00000
      2      -9.7831      1.00000
      3      -8.4137      1.00000
      4      -6.5457      1.00000
      5      -4.1291      1.00000
      6      -1.3857      1.00000
      7       1.8115      1.00000
      8       4.8039     -0.00000
      9       5.5856     -0.00000
     10       8.0946     -0.00000
     11       8.1486     -0.00000
     12      12.0194      0.00000
     13      12.2763      0.00000
     14      13.1291      0.00000
     15      13.8526      0.00000
     16      14.3476      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6722      1.00000
      2      -9.7831      1.00000
      3      -8.4137      1.00000
      4      -6.5457      1.00000
      5      -4.1291      1.00000
      6      -1.3857      1.00000
      7       1.8115      1.00000
      8       4.8039     -0.00000
      9       5.5856     -0.00000
     10       8.0946     -0.00000
     11       8.1486     -0.00000
     12      12.0194      0.00000
     13      12.2763      0.00000
     14      13.1291      0.00000
     15      13.8516      0.00000
     16      14.4262      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6722      1.00000
      2      -9.7831      1.00000
      3      -8.4137      1.00000
      4      -6.5457      1.00000
      5      -4.1291      1.00000
      6      -1.3857      1.00000
      7       1.8115      1.00000
      8       4.8039     -0.00000
      9       5.5856     -0.00000
     10       8.0946     -0.00000
     11       8.1486     -0.00000
     12      12.0194      0.00000
     13      12.2763      0.00000
     14      13.1291      0.00000
     15      13.8517      0.00000
     16      14.3465      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0465      1.00000
      2      -9.1556      1.00000
      3      -7.7830      1.00000
      4      -5.9099      1.00000
      5      -3.4820      1.00000
      6      -0.7562      1.00000
      7       2.4387      1.00000
      8       5.3357     -0.00000
      9       6.1035     -0.00000
     10       8.4794     -0.00000
     11       8.6239      0.00000
     12       9.7370      0.00000
     13      10.2717      0.00000
     14      11.3727      0.00000
     15      12.5011      0.00000
     16      12.7734      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0465      1.00000
      2      -9.1556      1.00000
      3      -7.7830      1.00000
      4      -5.9099      1.00000
      5      -3.4820      1.00000
      6      -0.7562      1.00000
      7       2.4387      1.00000
      8       5.3357     -0.00000
      9       6.1036     -0.00000
     10       8.4794     -0.00000
     11       8.6239      0.00000
     12       9.7370      0.00000
     13      10.2717      0.00000
     14      11.3727      0.00000
     15      12.5040      0.00000
     16      12.8011      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0465      1.00000
      2      -9.1556      1.00000
      3      -7.7830      1.00000
      4      -5.9099      1.00000
      5      -3.4820      1.00000
      6      -0.7562      1.00000
      7       2.4387      1.00000
      8       5.3357     -0.00000
      9       6.1035     -0.00000
     10       8.4794     -0.00000
     11       8.6239      0.00000
     12       9.7370      0.00000
     13      10.2717      0.00000
     14      11.3727      0.00000
     15      12.5055      0.00000
     16      12.8494      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0031      1.00000
      2      -8.1088      1.00000
      3      -6.7305      1.00000
      4      -4.8502      1.00000
      5      -2.4097      1.00000
      6       0.2822      1.00000
      7       3.3995     -0.03544
      8       5.6491     -0.00000
      9       6.5433     -0.00000
     10       6.8625     -0.00000
     11       7.0509     -0.00000
     12       8.0616     -0.00000
     13       9.4037      0.00000
     14       9.5801      0.00000
     15       9.8030      0.00000
     16      11.5839      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0031      1.00000
      2      -8.1088      1.00000
      3      -6.7305      1.00000
      4      -4.8502      1.00000
      5      -2.4097      1.00000
      6       0.2822      1.00000
      7       3.3995     -0.03544
      8       5.6491     -0.00000
      9       6.5433     -0.00000
     10       6.8625     -0.00000
     11       7.0509     -0.00000
     12       8.0616     -0.00000
     13       9.4037      0.00000
     14       9.5801      0.00000
     15       9.8030      0.00000
     16      11.5912      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0031      1.00000
      2      -8.1088      1.00000
      3      -6.7305      1.00000
      4      -4.8502      1.00000
      5      -2.4097      1.00000
      6       0.2822      1.00000
      7       3.3995     -0.03544
      8       5.6491     -0.00000
      9       6.5433     -0.00000
     10       6.8625     -0.00000
     11       7.0509     -0.00000
     12       8.0616     -0.00000
     13       9.4037      0.00000
     14       9.5801      0.00000
     15       9.8030      0.00000
     16      11.6159      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5399      1.00000
      2      -6.6402      1.00000
      3      -5.2550      1.00000
      4      -3.3706      1.00000
      5      -0.9429      1.00000
      6       1.5750      1.00000
      7       2.5579      1.00011
      8       3.5224     -0.01280
      9       4.7962     -0.00000
     10       5.1180     -0.00000
     11       6.5281     -0.00000
     12       7.6451     -0.00000
     13       8.2124     -0.00000
     14       8.7037      0.00000
     15      10.5149      0.00000
     16      10.8271      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5399      1.00000
      2      -6.6402      1.00000
      3      -5.2550      1.00000
      4      -3.3706      1.00000
      5      -0.9429      1.00000
      6       1.5750      1.00000
      7       2.5579      1.00011
      8       3.5224     -0.01280
      9       4.7962     -0.00000
     10       5.1180     -0.00000
     11       6.5281     -0.00000
     12       7.6451     -0.00000
     13       8.2124     -0.00000
     14       8.7037      0.00000
     15      10.5151      0.00000
     16      10.8255      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5399      1.00000
      2      -6.6402      1.00000
      3      -5.2550      1.00000
      4      -3.3706      1.00000
      5      -0.9429      1.00000
      6       1.5750      1.00000
      7       2.5579      1.00011
      8       3.5224     -0.01280
      9       4.7962     -0.00000
     10       5.1180     -0.00000
     11       6.5281     -0.00000
     12       7.6451     -0.00000
     13       8.2124     -0.00000
     14       8.7037      0.00000
     15      10.5149      0.00000
     16      10.8248      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6529      1.00000
      2      -4.7474      1.00000
      3      -3.3612      1.00000
      4      -1.5171      1.00000
      5      -0.6541      1.00000
      6       0.1133      1.00000
      7       1.1094      1.00000
      8       2.0126      1.00000
      9       3.6506     -0.00124
     10       3.7420     -0.00013
     11       5.9265     -0.00000
     12       6.6935     -0.00000
     13       8.2308     -0.00000
     14       9.1909      0.00000
     15       9.7527      0.00000
     16      10.6049      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6529      1.00000
      2      -4.7474      1.00000
      3      -3.3612      1.00000
      4      -1.5171      1.00000
      5      -0.6541      1.00000
      6       0.1133      1.00000
      7       1.1094      1.00000
      8       2.0126      1.00000
      9       3.6506     -0.00124
     10       3.7420     -0.00013
     11       5.9265     -0.00000
     12       6.6935     -0.00000
     13       8.2308     -0.00000
     14       9.1909      0.00000
     15       9.7527      0.00000
     16      10.4176      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6529      1.00000
      2      -4.7474      1.00000
      3      -3.3612      1.00000
      4      -1.5171      1.00000
      5      -0.6541      1.00000
      6       0.1133      1.00000
      7       1.1094      1.00000
      8       2.0126      1.00000
      9       3.6506     -0.00124
     10       3.7420     -0.00013
     11       5.9265     -0.00000
     12       6.6935     -0.00000
     13       8.2308     -0.00000
     14       9.1909      0.00000
     15       9.7526      0.00000
     16      10.4603      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3542      1.00000
      2      -3.3313      1.00000
      3      -2.4520      1.00000
      4      -2.4352      1.00000
      5      -1.2981      1.00000
      6      -0.9040      1.00000
      7       0.6445      1.00000
      8       1.3854      1.00000
      9       3.3794     -0.03390
     10       3.5150     -0.01405
     11       5.6743     -0.00000
     12       6.0129     -0.00000
     13       8.3923     -0.00000
     14       8.8521      0.00000
     15      10.2467      0.00000
     16      10.5379      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3542      1.00000
      2      -3.3313      1.00000
      3      -2.4520      1.00000
      4      -2.4352      1.00000
      5      -1.2981      1.00000
      6      -0.9040      1.00000
      7       0.6445      1.00000
      8       1.3854      1.00000
      9       3.3794     -0.03389
     10       3.5150     -0.01405
     11       5.6743     -0.00000
     12       6.0129     -0.00000
     13       8.3923     -0.00000
     14       8.8521      0.00000
     15      10.2482      0.00000
     16      10.5565      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3542      1.00000
      2      -3.3313      1.00000
      3      -2.4520      1.00000
      4      -2.4352      1.00000
      5      -1.2981      1.00000
      6      -0.9040      1.00000
      7       0.6445      1.00000
      8       1.3854      1.00000
      9       3.3794     -0.03390
     10       3.5150     -0.01405
     11       5.6743     -0.00000
     12       6.0129     -0.00000
     13       8.3923     -0.00000
     14       8.8521      0.00000
     15      10.2458      0.00000
     16      10.5373      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2551      1.00000
      2      -9.3648      1.00000
      3      -7.9933      1.00000
      4      -6.1219      1.00000
      5      -3.6975      1.00000
      6      -0.9658      1.00000
      7       2.2324      1.00000
      8       5.1630     -0.00000
      9       5.9323     -0.00000
     10       8.4197     -0.00000
     11       8.4573     -0.00000
     12      11.4409      0.00000
     13      11.4554      0.00000
     14      11.8845      0.00000
     15      12.0100      0.00000
     16      12.6579      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2551      1.00000
      2      -9.3648      1.00000
      3      -7.9933      1.00000
      4      -6.1219      1.00000
      5      -3.6975      1.00000
      6      -0.9658      1.00000
      7       2.2324      1.00000
      8       5.1630     -0.00000
      9       5.9323     -0.00000
     10       8.4197     -0.00000
     11       8.4573     -0.00000
     12      11.4409      0.00000
     13      11.4569      0.00000
     14      11.8855      0.00000
     15      12.0093      0.00000
     16      12.6532      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2551      1.00000
      2      -9.3648      1.00000
      3      -7.9933      1.00000
      4      -6.1219      1.00000
      5      -3.6975      1.00000
      6      -0.9658      1.00000
      7       2.2324      1.00000
      8       5.1630     -0.00000
      9       5.9323     -0.00000
     10       8.4197     -0.00000
     11       8.4573     -0.00000
     12      11.4410      0.00000
     13      11.4546      0.00000
     14      11.8856      0.00000
     15      12.0115      0.00000
     16      12.6561      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8373      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7179      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8373      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7179      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8373      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7180      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8373      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7177      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8373      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7182      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8373      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7176      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5618      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6809     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9086      0.00000
     15       9.5953      0.00000
     16      10.1699      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5618      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9085      0.00000
     15       9.5955      0.00000
     16      10.0493      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5618      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9096      0.00000
     15       9.6012      0.00000
     16      10.2541      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5618      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6809     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9116      0.00000
     15       9.5967      0.00000
     16      10.2470      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6809     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9085      0.00000
     15       9.5942      0.00000
     16      10.0808      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5618      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9111      0.00000
     15       9.8727      0.00000
     16      10.1978      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00220
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6509      0.00000
     15       9.0993      0.00000
     16       9.1233      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6508      0.00000
     15       9.0993      0.00000
     16       9.1231      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00220
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6506      0.00000
     15       9.0993      0.00000
     16       9.1216      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00220
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6506      0.00000
     15       9.0993      0.00000
     16       9.1224      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00220
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6509      0.00000
     15       9.0994      0.00000
     16       9.1241      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6506      0.00000
     15       9.0998      0.00000
     16       9.1217      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6945      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.7064      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8331      0.00000
     16       9.7119      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6920      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6910      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8322      0.00000
     16       9.7233      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3767      1.00000
      2      -7.4801      1.00000
      3      -6.0986      1.00000
      4      -4.2149      1.00000
      5      -1.7716      1.00000
      6       0.8969      1.00000
      7       3.9420     -0.00000
      8       6.0226     -0.00000
      9       6.5038     -0.00000
     10       7.2296     -0.00000
     11       7.3186     -0.00000
     12       7.4826     -0.00000
     13       7.6005     -0.00000
     14       8.3729     -0.00000
     15       8.7406      0.00000
     16      10.0542      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3767      1.00000
      2      -7.4801      1.00000
      3      -6.0986      1.00000
      4      -4.2149      1.00000
      5      -1.7716      1.00000
      6       0.8969      1.00000
      7       3.9420     -0.00000
      8       6.0226     -0.00000
      9       6.5038     -0.00000
     10       7.2296     -0.00000
     11       7.3186     -0.00000
     12       7.4826     -0.00000
     13       7.6005     -0.00000
     14       8.3729     -0.00000
     15       8.7404      0.00000
     16      10.0615      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3767      1.00000
      2      -7.4801      1.00000
      3      -6.0986      1.00000
      4      -4.2149      1.00000
      5      -1.7716      1.00000
      6       0.8969      1.00000
      7       3.9420     -0.00000
      8       6.0226     -0.00000
      9       6.5038     -0.00000
     10       7.2296     -0.00000
     11       7.3186     -0.00000
     12       7.4826     -0.00000
     13       7.6005     -0.00000
     14       8.3729     -0.00000
     15       8.7404      0.00000
     16      10.0563      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4106     -0.00000
     16       8.7562      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4106     -0.00000
     16       8.7573      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4108     -0.00000
     16       8.7565      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4109     -0.00000
     16       8.7564      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4106     -0.00000
     16       8.7575      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4106     -0.00000
     16       8.7561      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8445      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8465      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8492      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8653      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8807      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8790      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7283      1.00000
      2      -2.7053      1.00000
      3      -1.8232      1.00000
      4      -1.8182      1.00000
      5      -0.6839      1.00000
      6      -0.2907      1.00000
      7       1.2451      1.00000
      8       1.9770      1.00000
      9       3.7687     -0.00006
     10       3.8996     -0.00000
     11       4.7233     -0.00000
     12       5.7527     -0.00000
     13       6.3933     -0.00000
     14       6.7481     -0.00000
     15       7.1225     -0.00000
     16       8.7461      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7283      1.00000
      2      -2.7053      1.00000
      3      -1.8232      1.00000
      4      -1.8182      1.00000
      5      -0.6839      1.00000
      6      -0.2907      1.00000
      7       1.2451      1.00000
      8       1.9770      1.00000
      9       3.7687     -0.00006
     10       3.8996     -0.00000
     11       4.7233     -0.00000
     12       5.7527     -0.00000
     13       6.3933     -0.00000
     14       6.7481     -0.00000
     15       7.1225     -0.00000
     16       8.7188      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7283      1.00000
      2      -2.7053      1.00000
      3      -1.8232      1.00000
      4      -1.8182      1.00000
      5      -0.6839      1.00000
      6      -0.2907      1.00000
      7       1.2451      1.00000
      8       1.9770      1.00000
      9       3.7687     -0.00006
     10       3.8996     -0.00000
     11       4.7233     -0.00000
     12       5.7527     -0.00000
     13       6.3933     -0.00000
     14       6.7481     -0.00000
     15       7.1225     -0.00000
     16       8.7156      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2355      1.00000
      2      -4.3293      1.00000
      3      -2.9408      1.00000
      4      -1.0807      1.00000
      5       1.1451      1.00000
      6       2.1112      1.00000
      7       2.2740      1.00000
      8       2.9870      0.99801
      9       3.4371     -0.03115
     10       4.2242     -0.00000
     11       4.4841     -0.00000
     12       4.8520     -0.00000
     13       6.2144     -0.00000
     14       6.8531     -0.00000
     15       7.2378     -0.00000
     16       8.6817      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2355      1.00000
      2      -4.3293      1.00000
      3      -2.9408      1.00000
      4      -1.0807      1.00000
      5       1.1451      1.00000
      6       2.1112      1.00000
      7       2.2740      1.00000
      8       2.9870      0.99801
      9       3.4371     -0.03115
     10       4.2242     -0.00000
     11       4.4841     -0.00000
     12       4.8520     -0.00000
     13       6.2144     -0.00000
     14       6.8531     -0.00000
     15       7.2378     -0.00000
     16       8.6903      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2355      1.00000
      2      -4.3293      1.00000
      3      -2.9408      1.00000
      4      -1.0807      1.00000
      5       1.1451      1.00000
      6       2.1112      1.00000
      7       2.2740      1.00000
      8       2.9870      0.99801
      9       3.4371     -0.03115
     10       4.2242     -0.00000
     11       4.4841     -0.00000
     12       4.8520     -0.00000
     13       6.2144     -0.00000
     14       6.8531     -0.00000
     15       7.2378     -0.00000
     16       8.6932      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8800      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38174
     11       4.1291     -0.00000
     12       4.6560     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2210     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8800      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38177
     11       4.1291     -0.00000
     12       4.6560     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2587     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38174
     11       4.1291     -0.00000
     12       4.6561     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2308     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38174
     11       4.1291     -0.00000
     12       4.6561     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2332     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8800      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38176
     11       4.1291     -0.00000
     12       4.6561     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2290     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8800      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38176
     11       4.1291     -0.00000
     12       4.6560     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.4105     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8654      1.00000
      2      -0.8476      1.00000
      3      -0.8215      1.00000
      4      -0.0201      1.00000
      5       0.0449      1.00000
      6       0.0583      1.00000
      7       1.0870      1.00000
      8       1.0941      1.00000
      9       1.7921      1.00000
     10       2.6869      1.00234
     11       4.0826     -0.00000
     12       4.1159     -0.00000
     13       5.9682     -0.00000
     14       5.9947     -0.00000
     15       6.0458     -0.00000
     16       8.0147     -0.00000
 Fermi energy:         3.1538120058

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8807      1.00000
      2      -9.9922      1.00000
      3      -8.6239      1.00000
      4      -6.7576      1.00000
      5      -4.3451      1.00000
      6      -1.5959      1.00000
      7       1.5979      1.00000
      8       4.6210     -0.00000
      9       5.4112     -0.00000
     10       7.9266     -0.00000
     11       7.9835     -0.00000
     12      11.8904      0.00000
     13      12.1789      0.00000
     14      16.0749      0.00000
     15      16.2370      0.00000
     16      16.3682      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6722      1.00000
      2      -9.7831      1.00000
      3      -8.4137      1.00000
      4      -6.5457      1.00000
      5      -4.1291      1.00000
      6      -1.3857      1.00000
      7       1.8115      1.00000
      8       4.8039     -0.00000
      9       5.5856     -0.00000
     10       8.0946     -0.00000
     11       8.1486     -0.00000
     12      12.0194      0.00000
     13      12.2763      0.00000
     14      13.1291      0.00000
     15      13.8515      0.00000
     16      14.3372      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6722      1.00000
      2      -9.7831      1.00000
      3      -8.4137      1.00000
      4      -6.5457      1.00000
      5      -4.1291      1.00000
      6      -1.3857      1.00000
      7       1.8115      1.00000
      8       4.8039     -0.00000
      9       5.5856     -0.00000
     10       8.0946     -0.00000
     11       8.1486     -0.00000
     12      12.0194      0.00000
     13      12.2763      0.00000
     14      13.1291      0.00000
     15      13.8515      0.00000
     16      14.3356      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6722      1.00000
      2      -9.7831      1.00000
      3      -8.4137      1.00000
      4      -6.5457      1.00000
      5      -4.1291      1.00000
      6      -1.3857      1.00000
      7       1.8115      1.00000
      8       4.8039     -0.00000
      9       5.5856     -0.00000
     10       8.0946     -0.00000
     11       8.1486     -0.00000
     12      12.0194      0.00000
     13      12.2763      0.00000
     14      13.1291      0.00000
     15      13.8520      0.00000
     16      14.3430      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0465      1.00000
      2      -9.1556      1.00000
      3      -7.7830      1.00000
      4      -5.9099      1.00000
      5      -3.4820      1.00000
      6      -0.7562      1.00000
      7       2.4387      1.00000
      8       5.3357     -0.00000
      9       6.1036     -0.00000
     10       8.4795     -0.00000
     11       8.6239      0.00000
     12       9.7370      0.00000
     13      10.2717      0.00000
     14      11.3726      0.00000
     15      12.5093      0.00000
     16      12.8489      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0465      1.00000
      2      -9.1556      1.00000
      3      -7.7830      1.00000
      4      -5.9099      1.00000
      5      -3.4820      1.00000
      6      -0.7562      1.00000
      7       2.4387      1.00000
      8       5.3357     -0.00000
      9       6.1036     -0.00000
     10       8.4795     -0.00000
     11       8.6239      0.00000
     12       9.7370      0.00000
     13      10.2717      0.00000
     14      11.3727      0.00000
     15      12.5013      0.00000
     16      12.7712      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0465      1.00000
      2      -9.1556      1.00000
      3      -7.7830      1.00000
      4      -5.9099      1.00000
      5      -3.4820      1.00000
      6      -0.7562      1.00000
      7       2.4387      1.00000
      8       5.3357     -0.00000
      9       6.1036     -0.00000
     10       8.4795     -0.00000
     11       8.6239      0.00000
     12       9.7370      0.00000
     13      10.2717      0.00000
     14      11.3726      0.00000
     15      12.5050      0.00000
     16      12.8160      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0031      1.00000
      2      -8.1088      1.00000
      3      -6.7305      1.00000
      4      -4.8503      1.00000
      5      -2.4097      1.00000
      6       0.2822      1.00000
      7       3.3995     -0.03544
      8       5.6491     -0.00000
      9       6.5433     -0.00000
     10       6.8625     -0.00000
     11       7.0509     -0.00000
     12       8.0616     -0.00000
     13       9.4037      0.00000
     14       9.5801      0.00000
     15       9.8030      0.00000
     16      11.5861      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0031      1.00000
      2      -8.1088      1.00000
      3      -6.7305      1.00000
      4      -4.8503      1.00000
      5      -2.4097      1.00000
      6       0.2822      1.00000
      7       3.3995     -0.03544
      8       5.6491     -0.00000
      9       6.5433     -0.00000
     10       6.8625     -0.00000
     11       7.0509     -0.00000
     12       8.0616     -0.00000
     13       9.4037      0.00000
     14       9.5801      0.00000
     15       9.8030      0.00000
     16      11.6098      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0031      1.00000
      2      -8.1088      1.00000
      3      -6.7305      1.00000
      4      -4.8503      1.00000
      5      -2.4097      1.00000
      6       0.2822      1.00000
      7       3.3995     -0.03544
      8       5.6491     -0.00000
      9       6.5433     -0.00000
     10       6.8625     -0.00000
     11       7.0509     -0.00000
     12       8.0616     -0.00000
     13       9.4037      0.00000
     14       9.5801      0.00000
     15       9.8030      0.00000
     16      11.5944      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5399      1.00000
      2      -6.6402      1.00000
      3      -5.2550      1.00000
      4      -3.3706      1.00000
      5      -0.9429      1.00000
      6       1.5750      1.00000
      7       2.5579      1.00011
      8       3.5224     -0.01280
      9       4.7962     -0.00000
     10       5.1180     -0.00000
     11       6.5281     -0.00000
     12       7.6451     -0.00000
     13       8.2124     -0.00000
     14       8.7037      0.00000
     15      10.5143      0.00000
     16      10.8255      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5399      1.00000
      2      -6.6402      1.00000
      3      -5.2550      1.00000
      4      -3.3706      1.00000
      5      -0.9429      1.00000
      6       1.5750      1.00000
      7       2.5579      1.00011
      8       3.5224     -0.01280
      9       4.7962     -0.00000
     10       5.1180     -0.00000
     11       6.5281     -0.00000
     12       7.6451     -0.00000
     13       8.2124     -0.00000
     14       8.7037      0.00000
     15      10.5166      0.00000
     16      10.8282      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5399      1.00000
      2      -6.6402      1.00000
      3      -5.2550      1.00000
      4      -3.3706      1.00000
      5      -0.9429      1.00000
      6       1.5750      1.00000
      7       2.5579      1.00011
      8       3.5224     -0.01280
      9       4.7962     -0.00000
     10       5.1180     -0.00000
     11       6.5281     -0.00000
     12       7.6451     -0.00000
     13       8.2124     -0.00000
     14       8.7037      0.00000
     15      10.5161      0.00000
     16      10.8295      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6529      1.00000
      2      -4.7474      1.00000
      3      -3.3612      1.00000
      4      -1.5171      1.00000
      5      -0.6541      1.00000
      6       0.1133      1.00000
      7       1.1094      1.00000
      8       2.0126      1.00000
      9       3.6506     -0.00124
     10       3.7420     -0.00013
     11       5.9265     -0.00000
     12       6.6935     -0.00000
     13       8.2308     -0.00000
     14       9.1909      0.00000
     15       9.7526      0.00000
     16      10.4732      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6529      1.00000
      2      -4.7474      1.00000
      3      -3.3612      1.00000
      4      -1.5171      1.00000
      5      -0.6541      1.00000
      6       0.1133      1.00000
      7       1.1094      1.00000
      8       2.0126      1.00000
      9       3.6506     -0.00124
     10       3.7420     -0.00013
     11       5.9265     -0.00000
     12       6.6935     -0.00000
     13       8.2308     -0.00000
     14       9.1909      0.00000
     15       9.7527      0.00000
     16      10.5182      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6529      1.00000
      2      -4.7474      1.00000
      3      -3.3612      1.00000
      4      -1.5171      1.00000
      5      -0.6541      1.00000
      6       0.1133      1.00000
      7       1.1094      1.00000
      8       2.0126      1.00000
      9       3.6506     -0.00124
     10       3.7420     -0.00013
     11       5.9265     -0.00000
     12       6.6935     -0.00000
     13       8.2308     -0.00000
     14       9.1909      0.00000
     15       9.7528      0.00000
     16      10.5254      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3542      1.00000
      2      -3.3313      1.00000
      3      -2.4520      1.00000
      4      -2.4352      1.00000
      5      -1.2981      1.00000
      6      -0.9040      1.00000
      7       0.6445      1.00000
      8       1.3854      1.00000
      9       3.3794     -0.03389
     10       3.5150     -0.01405
     11       5.6743     -0.00000
     12       6.0129     -0.00000
     13       8.3923     -0.00000
     14       8.8521      0.00000
     15      10.2922      0.00000
     16      10.6040      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3542      1.00000
      2      -3.3313      1.00000
      3      -2.4520      1.00000
      4      -2.4352      1.00000
      5      -1.2981      1.00000
      6      -0.9040      1.00000
      7       0.6445      1.00000
      8       1.3854      1.00000
      9       3.3794     -0.03389
     10       3.5150     -0.01405
     11       5.6743     -0.00000
     12       6.0129     -0.00000
     13       8.3923     -0.00000
     14       8.8521      0.00000
     15      10.2476      0.00000
     16      10.5405      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3542      1.00000
      2      -3.3313      1.00000
      3      -2.4520      1.00000
      4      -2.4352      1.00000
      5      -1.2981      1.00000
      6      -0.9040      1.00000
      7       0.6445      1.00000
      8       1.3854      1.00000
      9       3.3794     -0.03389
     10       3.5150     -0.01405
     11       5.6743     -0.00000
     12       6.0129     -0.00000
     13       8.3923     -0.00000
     14       8.8521      0.00000
     15      10.2725      0.00000
     16      10.5384      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2551      1.00000
      2      -9.3648      1.00000
      3      -7.9933      1.00000
      4      -6.1219      1.00000
      5      -3.6975      1.00000
      6      -0.9658      1.00000
      7       2.2324      1.00000
      8       5.1630     -0.00000
      9       5.9323     -0.00000
     10       8.4197     -0.00000
     11       8.4573     -0.00000
     12      11.4409      0.00000
     13      11.4547      0.00000
     14      11.8847      0.00000
     15      12.0110      0.00000
     16      12.6496      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2551      1.00000
      2      -9.3648      1.00000
      3      -7.9933      1.00000
      4      -6.1219      1.00000
      5      -3.6975      1.00000
      6      -0.9658      1.00000
      7       2.2324      1.00000
      8       5.1630     -0.00000
      9       5.9323     -0.00000
     10       8.4197     -0.00000
     11       8.4573     -0.00000
     12      11.4409      0.00000
     13      11.4545      0.00000
     14      11.8856      0.00000
     15      12.0123      0.00000
     16      12.6381      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2551      1.00000
      2      -9.3648      1.00000
      3      -7.9933      1.00000
      4      -6.1219      1.00000
      5      -3.6975      1.00000
      6      -0.9658      1.00000
      7       2.2324      1.00000
      8       5.1630     -0.00000
      9       5.9323     -0.00000
     10       8.4197     -0.00000
     11       8.4573     -0.00000
     12      11.4409      0.00000
     13      11.4548      0.00000
     14      11.8840      0.00000
     15      12.0265      0.00000
     16      12.7095      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8374      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7176      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8374      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1888      0.00000
     16      10.7180      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8374      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7176      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8374      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7177      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8374      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7176      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4206      1.00000
      2      -8.5277      1.00000
      3      -7.1517      1.00000
      4      -5.2741      1.00000
      5      -2.8374      1.00000
      6      -0.1301      1.00000
      7       3.0396      0.90290
      8       5.8157     -0.00000
      9       6.6013     -0.00000
     10       7.8697     -0.00000
     11       8.5821     -0.00000
     12       9.0033      0.00000
     13       9.4207      0.00000
     14       9.8308      0.00000
     15      10.1887      0.00000
     16      10.7175      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9085      0.00000
     15       9.5937      0.00000
     16      10.0565      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9096      0.00000
     15       9.5959      0.00000
     16      10.1596      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9088      0.00000
     15       9.5937      0.00000
     16      10.1197      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9095      0.00000
     15       9.5944      0.00000
     16      10.1191      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9085      0.00000
     15       9.5990      0.00000
     16      10.2722      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1675      1.00000
      2      -7.2702      1.00000
      3      -5.8877      1.00000
      4      -4.0035      1.00000
      5      -1.5619      1.00000
      6       1.0889      1.00000
      7       3.8102     -0.00002
      8       4.6808     -0.00000
      9       5.3983     -0.00000
     10       6.5067     -0.00000
     11       7.0822     -0.00000
     12       7.6967     -0.00000
     13       8.1840     -0.00000
     14       8.9083      0.00000
     15       9.5938      0.00000
     16      10.1510      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6508      0.00000
     15       9.0998      0.00000
     16       9.1236      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6507      0.00000
     15       9.0993      0.00000
     16       9.1229      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6506      0.00000
     15       9.0997      0.00000
     16       9.1216      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6506      0.00000
     15       9.0994      0.00000
     16       9.1222      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6506      0.00000
     15       9.0993      0.00000
     16       9.1217      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4927      1.00000
      2      -5.5895      1.00000
      3      -4.2013      1.00000
      4      -2.3237      1.00000
      5       0.0098      1.00000
      6       1.0119      1.00000
      7       1.9758      1.00000
      8       2.9830      1.00221
      9       3.5198     -0.01321
     10       5.1987     -0.00000
     11       5.8902     -0.00000
     12       7.3215     -0.00000
     13       7.9827     -0.00000
     14       8.6507      0.00000
     15       9.0994      0.00000
     16       9.1222      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8323      0.00000
     16       9.6913      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6947      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6947      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6909      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.6910      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3930      1.00000
      2      -3.4875      1.00000
      3      -2.1178      1.00000
      4      -1.8807      1.00000
      5      -1.0430      1.00000
      6      -0.3579      1.00000
      7       0.6417      1.00000
      8       2.2889      1.00000
      9       2.6615      1.00139
     10       4.7257     -0.00000
     11       4.9033     -0.00000
     12       7.0259     -0.00000
     13       7.4859     -0.00000
     14       8.0150     -0.00000
     15       8.8319      0.00000
     16       9.7055      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3767      1.00000
      2      -7.4801      1.00000
      3      -6.0986      1.00000
      4      -4.2149      1.00000
      5      -1.7716      1.00000
      6       0.8969      1.00000
      7       3.9420     -0.00000
      8       6.0226     -0.00000
      9       6.5038     -0.00000
     10       7.2296     -0.00000
     11       7.3186     -0.00000
     12       7.4826     -0.00000
     13       7.6005     -0.00000
     14       8.3729     -0.00000
     15       8.7404      0.00000
     16      10.0568      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3767      1.00000
      2      -7.4801      1.00000
      3      -6.0986      1.00000
      4      -4.2149      1.00000
      5      -1.7716      1.00000
      6       0.8969      1.00000
      7       3.9420     -0.00000
      8       6.0226     -0.00000
      9       6.5038     -0.00000
     10       7.2296     -0.00000
     11       7.3186     -0.00000
     12       7.4826     -0.00000
     13       7.6005     -0.00000
     14       8.3729     -0.00000
     15       8.7404      0.00000
     16      10.0517      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3767      1.00000
      2      -7.4801      1.00000
      3      -6.0986      1.00000
      4      -4.2149      1.00000
      5      -1.7716      1.00000
      6       0.8969      1.00000
      7       3.9420     -0.00000
      8       6.0226     -0.00000
      9       6.5038     -0.00000
     10       7.2296     -0.00000
     11       7.3186     -0.00000
     12       7.4826     -0.00000
     13       7.6005     -0.00000
     14       8.3729     -0.00000
     15       8.7404      0.00000
     16      10.0624      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52761
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4107     -0.00000
     16       8.7561      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4108     -0.00000
     16       8.7566      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4106     -0.00000
     16       8.7570      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52761
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4105     -0.00000
     16       8.7567      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4108     -0.00000
     16       8.7561      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9126      1.00000
      2      -6.0106      1.00000
      3      -4.6229      1.00000
      4      -2.7386      1.00000
      5      -0.3224      1.00000
      6       2.1603      1.00000
      7       3.1468      0.52760
      8       4.0974     -0.00000
      9       5.0904     -0.00000
     10       5.3550     -0.00000
     11       5.9037     -0.00000
     12       6.4749     -0.00000
     13       7.0145     -0.00000
     14       7.7595     -0.00000
     15       8.4106     -0.00000
     16       8.7573      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8441      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8320      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8470      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8504      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8632      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0248      1.00000
      2      -4.1184      1.00000
      3      -2.7328      1.00000
      4      -0.8990      1.00000
      5      -0.0375      1.00000
      6       0.7153      1.00000
      7       1.7005      1.00000
      8       2.5848      1.00022
      9       4.0721     -0.00000
     10       4.2719     -0.00000
     11       4.8773     -0.00000
     12       5.7246     -0.00000
     13       6.6192     -0.00000
     14       7.3916     -0.00000
     15       7.5091     -0.00000
     16       8.8709      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7283      1.00000
      2      -2.7053      1.00000
      3      -1.8232      1.00000
      4      -1.8182      1.00000
      5      -0.6839      1.00000
      6      -0.2907      1.00000
      7       1.2451      1.00000
      8       1.9770      1.00000
      9       3.7687     -0.00006
     10       3.8996     -0.00000
     11       4.7233     -0.00000
     12       5.7527     -0.00000
     13       6.3933     -0.00000
     14       6.7481     -0.00000
     15       7.1225     -0.00000
     16       8.6856      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7283      1.00000
      2      -2.7053      1.00000
      3      -1.8232      1.00000
      4      -1.8182      1.00000
      5      -0.6839      1.00000
      6      -0.2907      1.00000
      7       1.2451      1.00000
      8       1.9770      1.00000
      9       3.7687     -0.00006
     10       3.8996     -0.00000
     11       4.7233     -0.00000
     12       5.7527     -0.00000
     13       6.3933     -0.00000
     14       6.7481     -0.00000
     15       7.1225     -0.00000
     16       8.6811      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7283      1.00000
      2      -2.7053      1.00000
      3      -1.8232      1.00000
      4      -1.8182      1.00000
      5      -0.6839      1.00000
      6      -0.2907      1.00000
      7       1.2451      1.00000
      8       1.9770      1.00000
      9       3.7687     -0.00006
     10       3.8996     -0.00000
     11       4.7233     -0.00000
     12       5.7527     -0.00000
     13       6.3933     -0.00000
     14       6.7481     -0.00000
     15       7.1225     -0.00000
     16       8.7005      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2355      1.00000
      2      -4.3293      1.00000
      3      -2.9408      1.00000
      4      -1.0807      1.00000
      5       1.1451      1.00000
      6       2.1112      1.00000
      7       2.2740      1.00000
      8       2.9870      0.99801
      9       3.4371     -0.03115
     10       4.2242     -0.00000
     11       4.4841     -0.00000
     12       4.8520     -0.00000
     13       6.2144     -0.00000
     14       6.8531     -0.00000
     15       7.2378     -0.00000
     16       8.6852      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2355      1.00000
      2      -4.3293      1.00000
      3      -2.9408      1.00000
      4      -1.0807      1.00000
      5       1.1451      1.00000
      6       2.1112      1.00000
      7       2.2740      1.00000
      8       2.9870      0.99801
      9       3.4371     -0.03115
     10       4.2242     -0.00000
     11       4.4841     -0.00000
     12       4.8520     -0.00000
     13       6.2144     -0.00000
     14       6.8531     -0.00000
     15       7.2378     -0.00000
     16       8.6820      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2355      1.00000
      2      -4.3293      1.00000
      3      -2.9408      1.00000
      4      -1.0807      1.00000
      5       1.1451      1.00000
      6       2.1112      1.00000
      7       2.2740      1.00000
      8       2.9870      0.99801
      9       3.4370     -0.03115
     10       4.2242     -0.00000
     11       4.4841     -0.00000
     12       4.8520     -0.00000
     13       6.2144     -0.00000
     14       6.8531     -0.00000
     15       7.2378     -0.00000
     16       8.6845      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38177
     11       4.1291     -0.00000
     12       4.6561     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2282     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38176
     11       4.1291     -0.00000
     12       4.6560     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2454     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38180
     11       4.1291     -0.00000
     12       4.6561     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2399     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38180
     11       4.1291     -0.00000
     12       4.6561     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2725     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38178
     11       4.1291     -0.00000
     12       4.6560     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2374     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1366      1.00000
      2      -2.2348      1.00000
      3      -0.8801      1.00000
      4      -0.6355      1.00000
      5       0.1806      1.00000
      6       0.8232      1.00000
      7       1.7655      1.00000
      8       1.8345      1.00000
      9       2.5515      1.00009
     10       3.1819      0.38177
     11       4.1291     -0.00000
     12       4.6560     -0.00000
     13       6.0451     -0.00000
     14       6.1520     -0.00000
     15       6.3642     -0.00000
     16       8.2659     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8654      1.00000
      2      -0.8476      1.00000
      3      -0.8215      1.00000
      4      -0.0201      1.00000
      5       0.0449      1.00000
      6       0.0583      1.00000
      7       1.0870      1.00000
      8       1.0941      1.00000
      9       1.7921      1.00000
     10       2.6868      1.00234
     11       4.0826     -0.00000
     12       4.1159     -0.00000
     13       5.9682     -0.00000
     14       5.9947     -0.00000
     15       6.0458     -0.00000
     16       8.0164     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  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 -61.836  -0.000  -0.076  -0.000   0.000  -0.024   0.000
-61.836  33.029   0.000   0.032   0.000  -0.000   0.014  -0.000
 -0.000   0.000   2.073  -0.000  -0.000  -0.322   0.000   0.000
 -0.076   0.032  -0.000   1.746   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
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -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    416.2072: real time    419.1177
    FORNL :  cpu time      0.4946: real time      0.4997
    FORCOR:  cpu time      1.9647: real time      1.9757
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.561E-06 -.163E-05 0.182E+03   0.436E-13 0.276E-13 -.181E+03   0.150E-06 0.212E-05 -.126E+01
   -.743E-06 -.433E-05 0.909E+02   -.353E-14 0.197E-14 -.909E+02   -.314E-06 0.282E-05 0.180E+00
   0.672E-06 0.575E-06 -.431E+00   -.140E-12 -.844E-13 0.443E+00   0.177E-06 0.134E-05 -.274E-01
   0.436E-05 -.511E-05 -.921E+02   0.130E-12 0.826E-13 0.920E+02   -.651E-05 0.517E-05 0.102E+00
   0.157E-04 -.188E-05 -.181E+03   -.405E-13 -.247E-13 0.180E+03   -.167E-04 0.350E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.218E-04 -.129E-04 -.187E-01   -.971E-14 0.313E-14 0.000E+00   -.232E-04 0.150E-04 0.203E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000002      0.000000     -0.127643
      0.00000      0.00000      2.33311        -0.000001     -0.000002      0.126176
      1.42873      0.82488      4.66621         0.000002      0.000002     -0.015585
      2.85746      1.64976      6.99265        -0.000001     -0.000000      0.001770
      0.00000      0.00000      9.37501        -0.000001      0.000001      0.015282
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000002      0.002272


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90226082 eV

  energy  without entropy=      -13.89779175  energy(sigma->0) =      -13.90077113
 
 d Force = 0.1222963E-03[ 0.112E-03, 0.133E-03]  d Energy = 0.1609659E-03-0.387E-04
 d Force = 0.1677305E+01[ 0.168E+01, 0.168E+01]  d Ewald  = 0.1677305E+01-0.652E-07


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


    POTLOK:  cpu time      1.9687: real time      1.9798


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.114E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  23.8194
 eigenvalue spectrum of G is 23.8194


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


    WAVPRE:  cpu time      0.0061: real time      0.0764
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0838: real time      0.0842
    POTLOK:  cpu time      1.9664: real time      1.9786
    EDDIAG:  cpu time    571.0142: real time    575.5667
    CHARGE:  cpu time      0.2653: real time      0.2672
 writing wavefunctions
     LOOP+:  cpu time   7331.9324: real time   7391.1936


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


    POTLOK:  cpu time      0.7221: real time      0.7276
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    574.3504: real time    578.9631
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    576.5822: real time    581.2088

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2554284E-03  (-0.6126048E-03)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0009951 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.80747773
  -exchange      EXHF   =        33.24787912
  -V(xc)+E(xc)   XCENC  =       -83.55406947
  PAW double counting   =    100898.87747823  -100797.91781862
  entropy T*S    EENTRO =        -0.00433587
  eigenvalues    EBANDS =       -35.15788028
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90199975 eV

  energy without entropy =      -13.89766388  energy(sigma->0) =      -13.90055446
  exchange ACFDT corr.  =        -0.00442822  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7230: real time      0.7289
    SETDIJ:  cpu time      1.2321: real time      1.2371
    TRIAL :  cpu time    573.0041: real time    577.5609
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    575.2287: real time    579.7988

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2478043E-04  (-0.5116515E-03)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0009950 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.70994876
  -exchange      EXHF   =        33.24716932
  -V(xc)+E(xc)   XCENC  =       -83.55431086
  PAW double counting   =    100898.08533033  -100797.12564888
  entropy T*S    EENTRO =        -0.00432928
  eigenvalues    EBANDS =       -35.25451288
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90202453 eV

  energy without entropy =      -13.89769525  energy(sigma->0) =      -13.90058144
  exchange ACFDT corr.  =        -0.00442252  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7235: real time      0.7285
    SETDIJ:  cpu time      1.2310: real time      1.2362
    TRIAL :  cpu time    572.5754: real time    577.2035
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2650: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    574.7993: real time    579.4398

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2189094E-03  (-0.3534684E-04)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0009958 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.67164766
  -exchange      EXHF   =        33.24662354
  -V(xc)+E(xc)   XCENC  =       -83.55449786
  PAW double counting   =    100899.82066369  -100798.86097859
  entropy T*S    EENTRO =        -0.00432469
  eigenvalues    EBANDS =       -35.29231034
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90224344 eV

  energy without entropy =      -13.89791875  energy(sigma->0) =      -13.90080188
  exchange ACFDT corr.  =        -0.00441233  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7229: real time      0.7283
    SETDIJ:  cpu time      1.2299: real time      1.2350
    TRIAL :  cpu time    574.0107: real time    578.6274
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    576.2326: real time    580.8619

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2324278E-04  (-0.1037797E-03)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0009967 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.67435842
  -exchange      EXHF   =        33.24636461
  -V(xc)+E(xc)   XCENC  =       -83.55458572
  PAW double counting   =    100902.47653007  -100801.51685683
  entropy T*S    EENTRO =        -0.00431848
  eigenvalues    EBANDS =       -35.28926876
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90226668 eV

  energy without entropy =      -13.89794820  energy(sigma->0) =      -13.90082719
  exchange ACFDT corr.  =        -0.00440877  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2309: real time      1.2361
    TRIAL :  cpu time    574.6922: real time    579.2966
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    576.9152: real time    581.5328

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1328110E-04  (-0.6891092E-04)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0009969 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.68049743
  -exchange      EXHF   =        33.24631760
  -V(xc)+E(xc)   XCENC  =       -83.55460279
  PAW double counting   =    100905.93308769  -100804.97345358
  entropy T*S    EENTRO =        -0.00431029
  eigenvalues    EBANDS =       -35.28304603
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90227996 eV

  energy without entropy =      -13.89796967  energy(sigma->0) =      -13.90084320
  exchange ACFDT corr.  =        -0.00440442  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7284
    SETDIJ:  cpu time      1.2307: real time      1.2358
    TRIAL :  cpu time    574.3906: real time    578.8520
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2654: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    576.6140: real time    581.0880

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3187815E-04  (-0.4661282E-05)
 number of electron      15.0000000 magnetization      -0.0000022
 augmentation part       -0.0009959 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.68712136
  -exchange      EXHF   =        33.24640456
  -V(xc)+E(xc)   XCENC  =       -83.55457199
  PAW double counting   =    100910.58442231  -100809.62482076
  entropy T*S    EENTRO =        -0.00430284
  eigenvalues    EBANDS =       -35.27654737
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90231184 eV

  energy without entropy =      -13.89800900  energy(sigma->0) =      -13.90087756
  exchange ACFDT corr.  =        -0.00439852  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7279
    SETDIJ:  cpu time      1.2333: real time      1.2383
    TRIAL :  cpu time    573.8760: real time    578.4538
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2642: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    576.1003: real time    580.6907

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2528250E-05  (-0.1663937E-04)
 number of electron      15.0000000 magnetization      -0.0000021
 augmentation part       -0.0009940 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.68890764
  -exchange      EXHF   =        33.24648514
  -V(xc)+E(xc)   XCENC  =       -83.55454186
  PAW double counting   =    100915.60141170  -100814.64182583
  entropy T*S    EENTRO =        -0.00429742
  eigenvalues    EBANDS =       -35.27486610
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90231437 eV

  energy without entropy =      -13.89801695  energy(sigma->0) =      -13.90088190
  exchange ACFDT corr.  =        -0.00439358  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     11(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7282
    SETDIJ:  cpu time      1.2329: real time      1.2381
    TRIAL :  cpu time    573.8684: real time    578.3398
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    571.9237: real time    576.5797
    CHARGE:  cpu time      0.2643: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time   1148.0166: real time   1157.1566

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3089503E-05  (-0.9406633E-05)
 number of electron      15.0000000 magnetization      -0.0000020
 augmentation part       -0.0009917 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       398.83284882
  -Hartree energ DENC   =      -696.69222445
  -exchange      EXHF   =        33.24654411
  -V(xc)+E(xc)   XCENC  =       -83.55452389
  PAW double counting   =    100920.46887205  -100819.50928577
  entropy T*S    EENTRO =        -0.00429293
  eigenvalues    EBANDS =       -35.27161974
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90231746 eV

  energy without entropy =      -13.89802453  energy(sigma->0) =      -13.90088648
  exchange ACFDT corr.  =        -0.00439003  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9867


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8971       2 -69.7893       3 -69.7903       4 -69.7809       5 -69.8977
 
 
 
 E-fermi :   3.1537     XC(G=0):  -5.1225     alpha+bet : -8.9779

 Fermi energy:         3.1537137495

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8794      1.00000
      2      -9.9903      1.00000
      3      -8.6226      1.00000
      4      -6.7579      1.00000
      5      -4.3478      1.00000
      6      -1.5971      1.00000
      7       1.5933      1.00000
      8       4.6183     -0.00000
      9       5.4110     -0.00000
     10       7.9261     -0.00000
     11       7.9820     -0.00000
     12      11.8898      0.00000
     13      12.1777      0.00000
     14      16.0775      0.00000
     15      16.1390      0.00000
     16      16.2063      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6708      1.00000
      2      -9.7812      1.00000
      3      -8.4125      1.00000
      4      -6.5459      1.00000
      5      -4.1317      1.00000
      6      -1.3869      1.00000
      7       1.8070      1.00000
      8       4.8012     -0.00000
      9       5.5854     -0.00000
     10       8.0941     -0.00000
     11       8.1471     -0.00000
     12      12.0190      0.00000
     13      12.2753      0.00000
     14      13.1303      0.00000
     15      13.8534      0.00000
     16      14.3460      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6708      1.00000
      2      -9.7812      1.00000
      3      -8.4125      1.00000
      4      -6.5459      1.00000
      5      -4.1317      1.00000
      6      -1.3869      1.00000
      7       1.8070      1.00000
      8       4.8012     -0.00000
      9       5.5854     -0.00000
     10       8.0941     -0.00000
     11       8.1471     -0.00000
     12      12.0190      0.00000
     13      12.2753      0.00000
     14      13.1303      0.00000
     15      13.8530      0.00000
     16      14.4094      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6708      1.00000
      2      -9.7812      1.00000
      3      -8.4125      1.00000
      4      -6.5459      1.00000
      5      -4.1317      1.00000
      6      -1.3869      1.00000
      7       1.8070      1.00000
      8       4.8012     -0.00000
      9       5.5854     -0.00000
     10       8.0941     -0.00000
     11       8.1471     -0.00000
     12      12.0190      0.00000
     13      12.2753      0.00000
     14      13.1303      0.00000
     15      13.8530      0.00000
     16      14.3454      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0451      1.00000
      2      -9.1537      1.00000
      3      -7.7817      1.00000
      4      -5.9101      1.00000
      5      -3.4847      1.00000
      6      -0.7573      1.00000
      7       2.4342      1.00000
      8       5.3331     -0.00000
      9       6.1034     -0.00000
     10       8.4791     -0.00000
     11       8.6230      0.00000
     12       9.7377      0.00000
     13      10.2738      0.00000
     14      11.3741      0.00000
     15      12.5000      0.00000
     16      12.7726      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0451      1.00000
      2      -9.1537      1.00000
      3      -7.7817      1.00000
      4      -5.9101      1.00000
      5      -3.4847      1.00000
      6      -0.7573      1.00000
      7       2.4342      1.00000
      8       5.3331     -0.00000
      9       6.1034     -0.00000
     10       8.4791     -0.00000
     11       8.6230      0.00000
     12       9.7377      0.00000
     13      10.2738      0.00000
     14      11.3741      0.00000
     15      12.5026      0.00000
     16      12.7982      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0451      1.00000
      2      -9.1537      1.00000
      3      -7.7817      1.00000
      4      -5.9101      1.00000
      5      -3.4847      1.00000
      6      -0.7573      1.00000
      7       2.4342      1.00000
      8       5.3331     -0.00000
      9       6.1034     -0.00000
     10       8.4791     -0.00000
     11       8.6230      0.00000
     12       9.7377      0.00000
     13      10.2738      0.00000
     14      11.3741      0.00000
     15      12.5042      0.00000
     16      12.8425      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0017      1.00000
      2      -8.1068      1.00000
      3      -6.7292      1.00000
      4      -4.8504      1.00000
      5      -2.4122      1.00000
      6       0.2813      1.00000
      7       3.3958     -0.03544
      8       5.6492     -0.00000
      9       6.5427     -0.00000
     10       6.8637     -0.00000
     11       7.0509     -0.00000
     12       8.0630     -0.00000
     13       9.4034      0.00000
     14       9.5794      0.00000
     15       9.8023      0.00000
     16      11.5821      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0017      1.00000
      2      -8.1068      1.00000
      3      -6.7292      1.00000
      4      -4.8504      1.00000
      5      -2.4122      1.00000
      6       0.2813      1.00000
      7       3.3958     -0.03544
      8       5.6492     -0.00000
      9       6.5427     -0.00000
     10       6.8637     -0.00000
     11       7.0509     -0.00000
     12       8.0630     -0.00000
     13       9.4034      0.00000
     14       9.5794      0.00000
     15       9.8023      0.00000
     16      11.5888      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0017      1.00000
      2      -8.1068      1.00000
      3      -6.7292      1.00000
      4      -4.8504      1.00000
      5      -2.4122      1.00000
      6       0.2813      1.00000
      7       3.3958     -0.03544
      8       5.6492     -0.00000
      9       6.5427     -0.00000
     10       6.8637     -0.00000
     11       7.0509     -0.00000
     12       8.0630     -0.00000
     13       9.4034      0.00000
     14       9.5794      0.00000
     15       9.8023      0.00000
     16      11.6118      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5383      1.00000
      2      -6.6382      1.00000
      3      -5.2535      1.00000
      4      -3.3706      1.00000
      5      -0.9452      1.00000
      6       1.5748      1.00000
      7       2.5595      1.00011
      8       3.5240     -0.01252
      9       4.7974     -0.00000
     10       5.1149     -0.00000
     11       6.5283     -0.00000
     12       7.6428     -0.00000
     13       8.2122     -0.00000
     14       8.7017      0.00000
     15      10.5141      0.00000
     16      10.8255      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5383      1.00000
      2      -6.6382      1.00000
      3      -5.2535      1.00000
      4      -3.3706      1.00000
      5      -0.9452      1.00000
      6       1.5748      1.00000
      7       2.5595      1.00011
      8       3.5240     -0.01252
      9       4.7974     -0.00000
     10       5.1149     -0.00000
     11       6.5283     -0.00000
     12       7.6428     -0.00000
     13       8.2122     -0.00000
     14       8.7017      0.00000
     15      10.5143      0.00000
     16      10.8239      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5383      1.00000
      2      -6.6382      1.00000
      3      -5.2535      1.00000
      4      -3.3706      1.00000
      5      -0.9452      1.00000
      6       1.5748      1.00000
      7       2.5595      1.00011
      8       3.5240     -0.01252
      9       4.7974     -0.00000
     10       5.1149     -0.00000
     11       6.5283     -0.00000
     12       7.6428     -0.00000
     13       8.2122     -0.00000
     14       8.7017      0.00000
     15      10.5141      0.00000
     16      10.8234      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6513      1.00000
      2      -4.7453      1.00000
      3      -3.3597      1.00000
      4      -1.5169      1.00000
      5      -0.6524      1.00000
      6       0.1149      1.00000
      7       1.1090      1.00000
      8       2.0131      1.00000
      9       3.6508     -0.00124
     10       3.7411     -0.00013
     11       5.9244     -0.00000
     12       6.6903     -0.00000
     13       8.2298     -0.00000
     14       9.1890      0.00000
     15       9.7526      0.00000
     16      10.5970      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6513      1.00000
      2      -4.7453      1.00000
      3      -3.3597      1.00000
      4      -1.5169      1.00000
      5      -0.6524      1.00000
      6       0.1149      1.00000
      7       1.1090      1.00000
      8       2.0131      1.00000
      9       3.6508     -0.00124
     10       3.7411     -0.00013
     11       5.9244     -0.00000
     12       6.6903     -0.00000
     13       8.2298     -0.00000
     14       9.1890      0.00000
     15       9.7526      0.00000
     16      10.4183      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6513      1.00000
      2      -4.7453      1.00000
      3      -3.3597      1.00000
      4      -1.5169      1.00000
      5      -0.6524      1.00000
      6       0.1149      1.00000
      7       1.1090      1.00000
      8       2.0131      1.00000
      9       3.6508     -0.00124
     10       3.7411     -0.00013
     11       5.9244     -0.00000
     12       6.6903     -0.00000
     13       8.2298     -0.00000
     14       9.1890      0.00000
     15       9.7526      0.00000
     16      10.4539      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3528      1.00000
      2      -3.3293      1.00000
      3      -2.4500      1.00000
      4      -2.4329      1.00000
      5      -1.2961      1.00000
      6      -0.9026      1.00000
      7       0.6449      1.00000
      8       1.3853      1.00000
      9       3.3775     -0.03352
     10       3.5124     -0.01455
     11       5.6738     -0.00000
     12       6.0120     -0.00000
     13       8.3891     -0.00000
     14       8.8499      0.00000
     15      10.2473      0.00000
     16      10.5366      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3528      1.00000
      2      -3.3293      1.00000
      3      -2.4500      1.00000
      4      -2.4329      1.00000
      5      -1.2961      1.00000
      6      -0.9026      1.00000
      7       0.6449      1.00000
      8       1.3853      1.00000
      9       3.3775     -0.03352
     10       3.5124     -0.01455
     11       5.6738     -0.00000
     12       6.0120     -0.00000
     13       8.3891     -0.00000
     14       8.8499      0.00000
     15      10.2492      0.00000
     16      10.5465      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3528      1.00000
      2      -3.3293      1.00000
      3      -2.4500      1.00000
      4      -2.4329      1.00000
      5      -1.2961      1.00000
      6      -0.9026      1.00000
      7       0.6449      1.00000
      8       1.3853      1.00000
      9       3.3775     -0.03352
     10       3.5124     -0.01455
     11       5.6738     -0.00000
     12       6.0120     -0.00000
     13       8.3891     -0.00000
     14       8.8499      0.00000
     15      10.2473      0.00000
     16      10.5362      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2537      1.00000
      2      -9.3629      1.00000
      3      -7.9920      1.00000
      4      -6.1221      1.00000
      5      -3.7002      1.00000
      6      -0.9669      1.00000
      7       2.2279      1.00000
      8       5.1603     -0.00000
      9       5.9321     -0.00000
     10       8.4192     -0.00000
     11       8.4560     -0.00000
     12      11.4413      0.00000
     13      11.4570      0.00000
     14      11.8863      0.00000
     15      12.0107      0.00000
     16      12.6551      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2537      1.00000
      2      -9.3629      1.00000
      3      -7.9920      1.00000
      4      -6.1221      1.00000
      5      -3.7002      1.00000
      6      -0.9669      1.00000
      7       2.2279      1.00000
      8       5.1603     -0.00000
      9       5.9321     -0.00000
     10       8.4192     -0.00000
     11       8.4560     -0.00000
     12      11.4413      0.00000
     13      11.4581      0.00000
     14      11.8869      0.00000
     15      12.0105      0.00000
     16      12.6487      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2537      1.00000
      2      -9.3629      1.00000
      3      -7.9920      1.00000
      4      -6.1221      1.00000
      5      -3.7002      1.00000
      6      -0.9669      1.00000
      7       2.2279      1.00000
      8       5.1603     -0.00000
      9       5.9321     -0.00000
     10       8.4192     -0.00000
     11       8.4560     -0.00000
     12      11.4414      0.00000
     13      11.4565      0.00000
     14      11.8869      0.00000
     15      12.0125      0.00000
     16      12.6559      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7202      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7198      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7200      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7198      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7204      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7197      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9099      0.00000
     15       9.5962      0.00000
     16      10.1531      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9098      0.00000
     15       9.5959      0.00000
     16      10.0412      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9105      0.00000
     15       9.6006      0.00000
     16      10.2498      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9117      0.00000
     15       9.5969      0.00000
     16      10.2423      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9098      0.00000
     15       9.5953      0.00000
     16      10.0668      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9111      0.00000
     15       9.8212      0.00000
     16      10.1804      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9827      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6499      0.00000
     15       9.0985      0.00000
     16       9.1244      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6498      0.00000
     15       9.0985      0.00000
     16       9.1241      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9827      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6497      0.00000
     15       9.0985      0.00000
     16       9.1231      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9827      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6498      0.00000
     15       9.0985      0.00000
     16       9.1237      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9827      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6499      0.00000
     15       9.0985      0.00000
     16       9.1248      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6498      0.00000
     15       9.0988      0.00000
     16       9.1232      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6926      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.7028      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2882      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8333      0.00000
     16       9.7061      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6909      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2882      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6901      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8325      0.00000
     16       9.7154      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3752      1.00000
      2      -7.4781      1.00000
      3      -6.0972      1.00000
      4      -4.2150      1.00000
      5      -1.7741      1.00000
      6       0.8961      1.00000
      7       3.9387     -0.00000
      8       6.0228     -0.00000
      9       6.5052     -0.00000
     10       7.2311     -0.00000
     11       7.3187     -0.00000
     12       7.4835     -0.00000
     13       7.6006     -0.00000
     14       8.3749     -0.00000
     15       8.7414      0.00000
     16      10.0522      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3752      1.00000
      2      -7.4781      1.00000
      3      -6.0972      1.00000
      4      -4.2150      1.00000
      5      -1.7741      1.00000
      6       0.8961      1.00000
      7       3.9387     -0.00000
      8       6.0228     -0.00000
      9       6.5052     -0.00000
     10       7.2311     -0.00000
     11       7.3187     -0.00000
     12       7.4835     -0.00000
     13       7.6006     -0.00000
     14       8.3749     -0.00000
     15       8.7414      0.00000
     16      10.0604      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3752      1.00000
      2      -7.4781      1.00000
      3      -6.0972      1.00000
      4      -4.2150      1.00000
      5      -1.7741      1.00000
      6       0.8961      1.00000
      7       3.9387     -0.00000
      8       6.0228     -0.00000
      9       6.5052     -0.00000
     10       7.2311     -0.00000
     11       7.3187     -0.00000
     12       7.4835     -0.00000
     13       7.6006     -0.00000
     14       8.3749     -0.00000
     15       8.7414      0.00000
     16      10.0563      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7560      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7570      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4090     -0.00000
     16       8.7563      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4091     -0.00000
     16       8.7562      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7571      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7559      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8424      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5061     -0.00000
     16       8.8460      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8482      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8634      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8791      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8771      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7269      1.00000
      2      -2.7032      1.00000
      3      -1.8212      1.00000
      4      -1.8158      1.00000
      5      -0.6818      1.00000
      6      -0.2893      1.00000
      7       1.2456      1.00000
      8       1.9770      1.00000
      9       3.7673     -0.00006
     10       3.8982     -0.00000
     11       4.7245     -0.00000
     12       5.7538     -0.00000
     13       6.3928     -0.00000
     14       6.7473     -0.00000
     15       7.1238     -0.00000
     16       8.7371      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7269      1.00000
      2      -2.7032      1.00000
      3      -1.8212      1.00000
      4      -1.8158      1.00000
      5      -0.6818      1.00000
      6      -0.2893      1.00000
      7       1.2456      1.00000
      8       1.9770      1.00000
      9       3.7673     -0.00006
     10       3.8982     -0.00000
     11       4.7245     -0.00000
     12       5.7538     -0.00000
     13       6.3928     -0.00000
     14       6.7473     -0.00000
     15       7.1238     -0.00000
     16       8.7129      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7269      1.00000
      2      -2.7032      1.00000
      3      -1.8212      1.00000
      4      -1.8158      1.00000
      5      -0.6818      1.00000
      6      -0.2893      1.00000
      7       1.2456      1.00000
      8       1.9770      1.00000
      9       3.7673     -0.00006
     10       3.8982     -0.00000
     11       4.7245     -0.00000
     12       5.7538     -0.00000
     13       6.3928     -0.00000
     14       6.7473     -0.00000
     15       7.1238     -0.00000
     16       8.7102      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2339      1.00000
      2      -4.3271      1.00000
      3      -2.9393      1.00000
      4      -1.0805      1.00000
      5       1.1435      1.00000
      6       2.1126      1.00000
      7       2.2766      1.00000
      8       2.9892      0.99569
      9       3.4383     -0.03087
     10       4.2257     -0.00000
     11       4.4841     -0.00000
     12       4.8531     -0.00000
     13       6.2147     -0.00000
     14       6.8528     -0.00000
     15       7.2345     -0.00000
     16       8.6794      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2339      1.00000
      2      -4.3271      1.00000
      3      -2.9393      1.00000
      4      -1.0805      1.00000
      5       1.1435      1.00000
      6       2.1126      1.00000
      7       2.2766      1.00000
      8       2.9892      0.99569
      9       3.4383     -0.03087
     10       4.2257     -0.00000
     11       4.4841     -0.00000
     12       4.8531     -0.00000
     13       6.2147     -0.00000
     14       6.8528     -0.00000
     15       7.2345     -0.00000
     16       8.6875      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2339      1.00000
      2      -4.3271      1.00000
      3      -2.9393      1.00000
      4      -1.0805      1.00000
      5       1.1435      1.00000
      6       2.1126      1.00000
      7       2.2766      1.00000
      8       2.9892      0.99569
      9       3.4383     -0.03087
     10       4.2257     -0.00000
     11       4.4841     -0.00000
     12       4.8531     -0.00000
     13       6.2147     -0.00000
     14       6.8528     -0.00000
     15       7.2345     -0.00000
     16       8.6901      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37991
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2196     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37993
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2515     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37990
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2285     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37991
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2296     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37992
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2264     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37992
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.4052     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8651      1.00000
      2      -0.8445      1.00000
      3      -0.8195      1.00000
      4      -0.0175      1.00000
      5       0.0443      1.00000
      6       0.0626      1.00000
      7       1.0923      1.00000
      8       1.0934      1.00000
      9       1.7934      1.00000
     10       2.6872      1.00237
     11       4.0886     -0.00000
     12       4.1098     -0.00000
     13       5.9667     -0.00000
     14       5.9922     -0.00000
     15       6.0432     -0.00000
     16       8.0139     -0.00000
 Fermi energy:         3.1537137495

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8794      1.00000
      2      -9.9903      1.00000
      3      -8.6227      1.00000
      4      -6.7579      1.00000
      5      -4.3478      1.00000
      6      -1.5971      1.00000
      7       1.5933      1.00000
      8       4.6183     -0.00000
      9       5.4110     -0.00000
     10       7.9261     -0.00000
     11       7.9820     -0.00000
     12      11.8898      0.00000
     13      12.1777      0.00000
     14      16.0758      0.00000
     15      16.2022      0.00000
     16      16.3437      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6708      1.00000
      2      -9.7812      1.00000
      3      -8.4125      1.00000
      4      -6.5459      1.00000
      5      -4.1317      1.00000
      6      -1.3869      1.00000
      7       1.8070      1.00000
      8       4.8012     -0.00000
      9       5.5854     -0.00000
     10       8.0941     -0.00000
     11       8.1471     -0.00000
     12      12.0190      0.00000
     13      12.2753      0.00000
     14      13.1303      0.00000
     15      13.8532      0.00000
     16      14.3385      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6708      1.00000
      2      -9.7812      1.00000
      3      -8.4125      1.00000
      4      -6.5459      1.00000
      5      -4.1317      1.00000
      6      -1.3869      1.00000
      7       1.8070      1.00000
      8       4.8012     -0.00000
      9       5.5854     -0.00000
     10       8.0941     -0.00000
     11       8.1471     -0.00000
     12      12.0190      0.00000
     13      12.2753      0.00000
     14      13.1303      0.00000
     15      13.8532      0.00000
     16      14.3370      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6708      1.00000
      2      -9.7812      1.00000
      3      -8.4125      1.00000
      4      -6.5459      1.00000
      5      -4.1317      1.00000
      6      -1.3869      1.00000
      7       1.8070      1.00000
      8       4.8012     -0.00000
      9       5.5854     -0.00000
     10       8.0941     -0.00000
     11       8.1471     -0.00000
     12      12.0190      0.00000
     13      12.2753      0.00000
     14      13.1303      0.00000
     15      13.8536      0.00000
     16      14.3429      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0451      1.00000
      2      -9.1537      1.00000
      3      -7.7817      1.00000
      4      -5.9101      1.00000
      5      -3.4847      1.00000
      6      -0.7573      1.00000
      7       2.4342      1.00000
      8       5.3331     -0.00000
      9       6.1034     -0.00000
     10       8.4791     -0.00000
     11       8.6230      0.00000
     12       9.7377      0.00000
     13      10.2738      0.00000
     14      11.3741      0.00000
     15      12.5075      0.00000
     16      12.8428      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0451      1.00000
      2      -9.1537      1.00000
      3      -7.7817      1.00000
      4      -5.9101      1.00000
      5      -3.4847      1.00000
      6      -0.7573      1.00000
      7       2.4342      1.00000
      8       5.3331     -0.00000
      9       6.1034     -0.00000
     10       8.4791     -0.00000
     11       8.6230      0.00000
     12       9.7377      0.00000
     13      10.2738      0.00000
     14      11.3741      0.00000
     15      12.5003      0.00000
     16      12.7705      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0451      1.00000
      2      -9.1537      1.00000
      3      -7.7817      1.00000
      4      -5.9101      1.00000
      5      -3.4847      1.00000
      6      -0.7573      1.00000
      7       2.4342      1.00000
      8       5.3331     -0.00000
      9       6.1034     -0.00000
     10       8.4791     -0.00000
     11       8.6230      0.00000
     12       9.7377      0.00000
     13      10.2738      0.00000
     14      11.3741      0.00000
     15      12.5036      0.00000
     16      12.8118      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0017      1.00000
      2      -8.1068      1.00000
      3      -6.7292      1.00000
      4      -4.8504      1.00000
      5      -2.4122      1.00000
      6       0.2813      1.00000
      7       3.3958     -0.03544
      8       5.6492     -0.00000
      9       6.5427     -0.00000
     10       6.8637     -0.00000
     11       7.0509     -0.00000
     12       8.0630     -0.00000
     13       9.4034      0.00000
     14       9.5794      0.00000
     15       9.8023      0.00000
     16      11.5841      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0017      1.00000
      2      -8.1068      1.00000
      3      -6.7292      1.00000
      4      -4.8504      1.00000
      5      -2.4122      1.00000
      6       0.2813      1.00000
      7       3.3958     -0.03544
      8       5.6492     -0.00000
      9       6.5427     -0.00000
     10       6.8637     -0.00000
     11       7.0509     -0.00000
     12       8.0630     -0.00000
     13       9.4034      0.00000
     14       9.5794      0.00000
     15       9.8023      0.00000
     16      11.6062      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0017      1.00000
      2      -8.1068      1.00000
      3      -6.7292      1.00000
      4      -4.8504      1.00000
      5      -2.4122      1.00000
      6       0.2813      1.00000
      7       3.3958     -0.03544
      8       5.6492     -0.00000
      9       6.5427     -0.00000
     10       6.8637     -0.00000
     11       7.0509     -0.00000
     12       8.0630     -0.00000
     13       9.4034      0.00000
     14       9.5794      0.00000
     15       9.8023      0.00000
     16      11.5918      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5383      1.00000
      2      -6.6382      1.00000
      3      -5.2536      1.00000
      4      -3.3706      1.00000
      5      -0.9452      1.00000
      6       1.5748      1.00000
      7       2.5595      1.00011
      8       3.5240     -0.01252
      9       4.7974     -0.00000
     10       5.1149     -0.00000
     11       6.5283     -0.00000
     12       7.6428     -0.00000
     13       8.2122     -0.00000
     14       8.7017      0.00000
     15      10.5136      0.00000
     16      10.8240      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5383      1.00000
      2      -6.6382      1.00000
      3      -5.2536      1.00000
      4      -3.3706      1.00000
      5      -0.9452      1.00000
      6       1.5748      1.00000
      7       2.5595      1.00011
      8       3.5240     -0.01252
      9       4.7974     -0.00000
     10       5.1149     -0.00000
     11       6.5283     -0.00000
     12       7.6428     -0.00000
     13       8.2122     -0.00000
     14       8.7017      0.00000
     15      10.5156      0.00000
     16      10.8265      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5383      1.00000
      2      -6.6382      1.00000
      3      -5.2536      1.00000
      4      -3.3706      1.00000
      5      -0.9452      1.00000
      6       1.5748      1.00000
      7       2.5595      1.00011
      8       3.5240     -0.01252
      9       4.7974     -0.00000
     10       5.1149     -0.00000
     11       6.5283     -0.00000
     12       7.6428     -0.00000
     13       8.2122     -0.00000
     14       8.7017      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      -5.6513      1.00000
      2      -4.7453      1.00000
      3      -3.3597      1.00000
      4      -1.5169      1.00000
      5      -0.6524      1.00000
      6       0.1149      1.00000
      7       1.1090      1.00000
      8       2.0131      1.00000
      9       3.6508     -0.00124
     10       3.7411     -0.00013
     11       5.9244     -0.00000
     12       6.6903     -0.00000
     13       8.2298     -0.00000
     14       9.1890      0.00000
     15       9.7526      0.00000
     16      10.4653      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6513      1.00000
      2      -4.7453      1.00000
      3      -3.3597      1.00000
      4      -1.5169      1.00000
      5      -0.6524      1.00000
      6       0.1149      1.00000
      7       1.1090      1.00000
      8       2.0131      1.00000
      9       3.6508     -0.00124
     10       3.7411     -0.00013
     11       5.9244     -0.00000
     12       6.6903     -0.00000
     13       8.2298     -0.00000
     14       9.1890      0.00000
     15       9.7526      0.00000
     16      10.5094      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6513      1.00000
      2      -4.7453      1.00000
      3      -3.3597      1.00000
      4      -1.5169      1.00000
      5      -0.6524      1.00000
      6       0.1149      1.00000
      7       1.1090      1.00000
      8       2.0131      1.00000
      9       3.6508     -0.00124
     10       3.7411     -0.00013
     11       5.9244     -0.00000
     12       6.6903     -0.00000
     13       8.2298     -0.00000
     14       9.1890      0.00000
     15       9.7527      0.00000
     16      10.5171      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3528      1.00000
      2      -3.3293      1.00000
      3      -2.4500      1.00000
      4      -2.4329      1.00000
      5      -1.2961      1.00000
      6      -0.9026      1.00000
      7       0.6449      1.00000
      8       1.3853      1.00000
      9       3.3775     -0.03352
     10       3.5124     -0.01455
     11       5.6738     -0.00000
     12       6.0120     -0.00000
     13       8.3891     -0.00000
     14       8.8499      0.00000
     15      10.2806      0.00000
     16      10.5837      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3528      1.00000
      2      -3.3293      1.00000
      3      -2.4500      1.00000
      4      -2.4329      1.00000
      5      -1.2961      1.00000
      6      -0.9026      1.00000
      7       0.6449      1.00000
      8       1.3853      1.00000
      9       3.3775     -0.03352
     10       3.5124     -0.01455
     11       5.6738     -0.00000
     12       6.0120     -0.00000
     13       8.3891     -0.00000
     14       8.8499      0.00000
     15      10.2475      0.00000
     16      10.5384      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3528      1.00000
      2      -3.3293      1.00000
      3      -2.4500      1.00000
      4      -2.4329      1.00000
      5      -1.2961      1.00000
      6      -0.9026      1.00000
      7       0.6449      1.00000
      8       1.3853      1.00000
      9       3.3775     -0.03352
     10       3.5124     -0.01455
     11       5.6738     -0.00000
     12       6.0120     -0.00000
     13       8.3891     -0.00000
     14       8.8499      0.00000
     15      10.2618      0.00000
     16      10.5369      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2537      1.00000
      2      -9.3629      1.00000
      3      -7.9920      1.00000
      4      -6.1221      1.00000
      5      -3.7002      1.00000
      6      -0.9669      1.00000
      7       2.2279      1.00000
      8       5.1603     -0.00000
      9       5.9321     -0.00000
     10       8.4192     -0.00000
     11       8.4560     -0.00000
     12      11.4413      0.00000
     13      11.4565      0.00000
     14      11.8864      0.00000
     15      12.0118      0.00000
     16      12.6480      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2537      1.00000
      2      -9.3629      1.00000
      3      -7.9920      1.00000
      4      -6.1221      1.00000
      5      -3.7002      1.00000
      6      -0.9669      1.00000
      7       2.2279      1.00000
      8       5.1603     -0.00000
      9       5.9321     -0.00000
     10       8.4192     -0.00000
     11       8.4560     -0.00000
     12      11.4413      0.00000
     13      11.4565      0.00000
     14      11.8872      0.00000
     15      12.0121      0.00000
     16      12.6356      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2537      1.00000
      2      -9.3629      1.00000
      3      -7.9920      1.00000
      4      -6.1221      1.00000
      5      -3.7002      1.00000
      6      -0.9669      1.00000
      7       2.2279      1.00000
      8       5.1603     -0.00000
      9       5.9321     -0.00000
     10       8.4192     -0.00000
     11       8.4560     -0.00000
     12      11.4413      0.00000
     13      11.4567      0.00000
     14      11.8860      0.00000
     15      12.0232      0.00000
     16      12.7047      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7197      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1895      0.00000
     16      10.7202      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7197      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7197      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7198      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4192      1.00000
      2      -8.5258      1.00000
      3      -7.1504      1.00000
      4      -5.2742      1.00000
      5      -2.8399      1.00000
      6      -0.1311      1.00000
      7       3.0355      0.91436
      8       5.8133     -0.00000
      9       6.6011     -0.00000
     10       7.8711     -0.00000
     11       8.5836     -0.00000
     12       9.0031      0.00000
     13       9.4202      0.00000
     14       9.8321      0.00000
     15      10.1894      0.00000
     16      10.7197      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9098      0.00000
     15       9.5951      0.00000
     16      10.0473      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9104      0.00000
     15       9.5963      0.00000
     16      10.1427      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9100      0.00000
     15       9.5951      0.00000
     16      10.0994      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9103      0.00000
     15       9.5955      0.00000
     16      10.0984      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9098      0.00000
     15       9.5991      0.00000
     16      10.2707      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1661      1.00000
      2      -7.2682      1.00000
      3      -5.8863      1.00000
      4      -4.0035      1.00000
      5      -1.5643      1.00000
      6       1.0881      1.00000
      7       3.8095     -0.00002
      8       4.6804     -0.00000
      9       5.3995     -0.00000
     10       6.5079     -0.00000
     11       7.0804     -0.00000
     12       7.6966     -0.00000
     13       8.1842     -0.00000
     14       8.9097      0.00000
     15       9.5950      0.00000
     16      10.1382      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6498      0.00000
     15       9.0989      0.00000
     16       9.1241      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6498      0.00000
     15       9.0985      0.00000
     16       9.1243      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6497      0.00000
     15       9.0987      0.00000
     16       9.1231      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6497      0.00000
     15       9.0986      0.00000
     16       9.1235      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6497      0.00000
     15       9.0985      0.00000
     16       9.1231      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4912      1.00000
      2      -5.5874      1.00000
      3      -4.1998      1.00000
      4      -2.3236      1.00000
      5       0.0079      1.00000
      6       1.0138      1.00000
      7       1.9777      1.00000
      8       2.9826      1.00249
      9       3.5211     -0.01310
     10       5.1988     -0.00000
     11       5.8871     -0.00000
     12       7.3199     -0.00000
     13       7.9828     -0.00000
     14       8.6498      0.00000
     15       9.0985      0.00000
     16       9.1236      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8325      0.00000
     16       9.6903      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6929      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6928      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6897      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.6902      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3913      1.00000
      2      -3.4853      1.00000
      3      -2.1162      1.00000
      4      -1.8789      1.00000
      5      -1.0407      1.00000
      6      -0.3572      1.00000
      7       0.6428      1.00000
      8       2.2881      1.00000
      9       2.6602      1.00135
     10       4.7241     -0.00000
     11       4.9021     -0.00000
     12       7.0257     -0.00000
     13       7.4850     -0.00000
     14       8.0146     -0.00000
     15       8.8324      0.00000
     16       9.7020      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3752      1.00000
      2      -7.4781      1.00000
      3      -6.0972      1.00000
      4      -4.2150      1.00000
      5      -1.7741      1.00000
      6       0.8961      1.00000
      7       3.9387     -0.00000
      8       6.0228     -0.00000
      9       6.5052     -0.00000
     10       7.2311     -0.00000
     11       7.3187     -0.00000
     12       7.4835     -0.00000
     13       7.6006     -0.00000
     14       8.3749     -0.00000
     15       8.7414      0.00000
     16      10.0548      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3752      1.00000
      2      -7.4781      1.00000
      3      -6.0972      1.00000
      4      -4.2150      1.00000
      5      -1.7741      1.00000
      6       0.8961      1.00000
      7       3.9387     -0.00000
      8       6.0228     -0.00000
      9       6.5052     -0.00000
     10       7.2311     -0.00000
     11       7.3187     -0.00000
     12       7.4835     -0.00000
     13       7.6006     -0.00000
     14       8.3749     -0.00000
     15       8.7414      0.00000
     16      10.0505      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3752      1.00000
      2      -7.4781      1.00000
      3      -6.0972      1.00000
      4      -4.2150      1.00000
      5      -1.7741      1.00000
      6       0.8961      1.00000
      7       3.9387     -0.00000
      8       6.0228     -0.00000
      9       6.5052     -0.00000
     10       7.2311     -0.00000
     11       7.3187     -0.00000
     12       7.4835     -0.00000
     13       7.6006     -0.00000
     14       8.3749     -0.00000
     15       8.7414      0.00000
     16      10.0610      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7559      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4090     -0.00000
     16       8.7563      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7566      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7564      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4090     -0.00000
     16       8.7559      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9110      1.00000
      2      -6.0086      1.00000
      3      -4.6215      1.00000
      4      -2.7385      1.00000
      5      -0.3247      1.00000
      6       2.1602      1.00000
      7       3.1485      0.51853
      8       4.0990     -0.00000
      9       5.0905     -0.00000
     10       5.3566     -0.00000
     11       5.9032     -0.00000
     12       6.4758     -0.00000
     13       7.0149     -0.00000
     14       7.7599     -0.00000
     15       8.4089     -0.00000
     16       8.7569      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8425      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8307      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8466      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8496      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8628      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0231      1.00000
      2      -4.1162      1.00000
      3      -2.7312      1.00000
      4      -0.8988      1.00000
      5      -0.0358      1.00000
      6       0.7169      1.00000
      7       1.7002      1.00000
      8       2.5854      1.00022
      9       4.0724     -0.00000
     10       4.2716     -0.00000
     11       4.8788     -0.00000
     12       5.7256     -0.00000
     13       6.6186     -0.00000
     14       7.3918     -0.00000
     15       7.5062     -0.00000
     16       8.8689      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7269      1.00000
      2      -2.7032      1.00000
      3      -1.8212      1.00000
      4      -1.8158      1.00000
      5      -0.6818      1.00000
      6      -0.2893      1.00000
      7       1.2456      1.00000
      8       1.9770      1.00000
      9       3.7673     -0.00006
     10       3.8982     -0.00000
     11       4.7245     -0.00000
     12       5.7538     -0.00000
     13       6.3928     -0.00000
     14       6.7473     -0.00000
     15       7.1238     -0.00000
     16       8.6835      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7269      1.00000
      2      -2.7032      1.00000
      3      -1.8212      1.00000
      4      -1.8158      1.00000
      5      -0.6818      1.00000
      6      -0.2893      1.00000
      7       1.2456      1.00000
      8       1.9770      1.00000
      9       3.7673     -0.00006
     10       3.8982     -0.00000
     11       4.7245     -0.00000
     12       5.7538     -0.00000
     13       6.3928     -0.00000
     14       6.7473     -0.00000
     15       7.1238     -0.00000
     16       8.6804      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7269      1.00000
      2      -2.7032      1.00000
      3      -1.8212      1.00000
      4      -1.8158      1.00000
      5      -0.6818      1.00000
      6      -0.2893      1.00000
      7       1.2456      1.00000
      8       1.9770      1.00000
      9       3.7673     -0.00006
     10       3.8982     -0.00000
     11       4.7245     -0.00000
     12       5.7538     -0.00000
     13       6.3928     -0.00000
     14       6.7473     -0.00000
     15       7.1238     -0.00000
     16       8.6965      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2339      1.00000
      2      -4.3271      1.00000
      3      -2.9393      1.00000
      4      -1.0805      1.00000
      5       1.1435      1.00000
      6       2.1126      1.00000
      7       2.2766      1.00000
      8       2.9892      0.99569
      9       3.4383     -0.03087
     10       4.2257     -0.00000
     11       4.4841     -0.00000
     12       4.8531     -0.00000
     13       6.2147     -0.00000
     14       6.8528     -0.00000
     15       7.2345     -0.00000
     16       8.6826      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2339      1.00000
      2      -4.3271      1.00000
      3      -2.9393      1.00000
      4      -1.0805      1.00000
      5       1.1435      1.00000
      6       2.1126      1.00000
      7       2.2766      1.00000
      8       2.9892      0.99569
      9       3.4383     -0.03087
     10       4.2257     -0.00000
     11       4.4841     -0.00000
     12       4.8531     -0.00000
     13       6.2147     -0.00000
     14       6.8528     -0.00000
     15       7.2345     -0.00000
     16       8.6797      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2339      1.00000
      2      -4.3271      1.00000
      3      -2.9393      1.00000
      4      -1.0805      1.00000
      5       1.1435      1.00000
      6       2.1126      1.00000
      7       2.2766      1.00000
      8       2.9892      0.99569
      9       3.4383     -0.03087
     10       4.2257     -0.00000
     11       4.4841     -0.00000
     12       4.8531     -0.00000
     13       6.2147     -0.00000
     14       6.8528     -0.00000
     15       7.2345     -0.00000
     16       8.6820      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37993
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2259     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37993
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2400     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37995
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2353     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37995
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2646     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37994
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2334     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1349      1.00000
      2      -2.2326      1.00000
      3      -0.8784      1.00000
      4      -0.6338      1.00000
      5       0.1829      1.00000
      6       0.8241      1.00000
      7       1.7671      1.00000
      8       1.8360      1.00000
      9       2.5530      1.00009
     10       3.1827      0.37993
     11       4.1281     -0.00000
     12       4.6563     -0.00000
     13       6.0442     -0.00000
     14       6.1517     -0.00000
     15       6.3625     -0.00000
     16       8.2579     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8651      1.00000
      2      -0.8445      1.00000
      3      -0.8195      1.00000
      4      -0.0175      1.00000
      5       0.0443      1.00000
      6       0.0626      1.00000
      7       1.0923      1.00000
      8       1.0934      1.00000
      9       1.7934      1.00000
     10       2.6872      1.00237
     11       4.0886     -0.00000
     12       4.1098     -0.00000
     13       5.9667     -0.00000
     14       5.9922     -0.00000
     15       6.0432     -0.00000
     16       8.0157     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  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
115.762 -61.831  -0.000  -0.075  -0.000   0.000  -0.024   0.000
-61.831  33.026   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
 -0.075   0.031  -0.000   1.747   0.000   0.000  -0.268  -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  -0.268  -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    415.9900: real time    418.8802
    FORNL :  cpu time      0.4963: real time      0.5014
    FORCOR:  cpu time      1.9641: real time      1.9748
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.153E-05 0.376E-05 0.182E+03   0.436E-13 0.276E-13 -.181E+03   -.122E-05 -.388E-05 -.126E+01
   0.134E-06 -.139E-05 0.908E+02   -.284E-14 0.229E-14 -.909E+02   -.142E-05 0.732E-06 0.177E+00
   0.234E-05 0.118E-05 -.492E+00   -.139E-12 -.826E-13 0.495E+00   -.222E-05 -.499E-06 -.187E-01
   0.272E-05 -.107E-05 -.921E+02   0.133E-12 0.804E-13 0.920E+02   -.555E-05 0.112E-05 0.101E+00
   0.102E-04 -.168E-05 -.181E+03   -.441E-13 -.246E-13 0.180E+03   -.111E-04 0.254E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.180E-04 0.872E-06 -.299E-01   -.971E-14 0.313E-14 0.000E+00   -.216E-04 0.102E-07 0.209E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.125100
      0.00000      0.00000      2.33311        -0.000000     -0.000001      0.122120
      1.42873      0.82488      4.66621         0.000001      0.000001     -0.013014
      2.85746      1.64976      6.99439        -0.000002     -0.000000      0.001584
      0.00000      0.00000      9.37800        -0.000000      0.000001      0.014410
 -----------------------------------------------------------------------------------
    total drift:                               -0.000004      0.000001     -0.008309


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90231746 eV

  energy  without entropy=      -13.89802453  energy(sigma->0) =      -13.90088648
 
 d Force = 0.4735332E-04[ 0.459E-04, 0.488E-04]  d Energy = 0.5663832E-04-0.929E-05
 d Force = 0.6973861E+00[ 0.697E+00, 0.698E+00]  d Ewald  = 0.6973861E+00-0.331E-08


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


    POTLOK:  cpu time      1.9684: real time      1.9792


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.101E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  76.4467
 eigenvalue spectrum of G is 76.4467


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


    WAVPRE:  cpu time      1.2482: real time      1.3022
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0848
    POTLOK:  cpu time      1.9686: real time      1.9798
    EDDIAG:  cpu time    571.9345: real time    576.6708
    CHARGE:  cpu time      0.2651: real time      0.2670
 writing wavefunctions
     LOOP+:  cpu time   6177.3445: real time   6227.7375


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


    POTLOK:  cpu time      0.7239: real time      0.7293
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    574.1980: real time    578.8329
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    576.4324: real time    581.0810

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5429340E-01  (-0.3427290E-01)
 number of electron      15.0000000 magnetization      -0.0000077
 augmentation part       -0.0020975 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -688.20329687
  -exchange      EXHF   =        33.20909337
  -V(xc)+E(xc)   XCENC  =       -83.56616167
  PAW double counting   =     99576.41309475   -99475.44909831
  entropy T*S    EENTRO =        -0.00288083
  eigenvalues    EBANDS =       -32.44861867
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.84802097 eV

  energy without entropy =      -13.84514014  energy(sigma->0) =      -13.84706070
  exchange ACFDT corr.  =        -0.00363664  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7277
    SETDIJ:  cpu time      1.2314: real time      1.2365
    TRIAL :  cpu time    574.4509: real time    579.0659
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    576.6742: real time    581.3022

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2005154E-01  (-0.2594739E-01)
 number of electron      15.0000000 magnetization      -0.0000116
 augmentation part       -0.0020262 magnetization       0.0000020

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.90979215
  -exchange      EXHF   =        33.19626388
  -V(xc)+E(xc)   XCENC  =       -83.57081443
  PAW double counting   =     99471.61556360   -99370.65127852
  entropy T*S    EENTRO =        -0.00292412
  eigenvalues    EBANDS =       -34.74524755
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.86807251 eV

  energy without entropy =      -13.86514839  energy(sigma->0) =      -13.86709780
  exchange ACFDT corr.  =        -0.00349234  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7221: real time      0.7279
    SETDIJ:  cpu time      1.2316: real time      1.2367
    TRIAL :  cpu time    574.4403: real time    579.0645
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    576.6638: real time    581.3009

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1705888E-01  (-0.1100519E-01)
 number of electron      15.0000000 magnetization      -0.0000143
 augmentation part       -0.0019725 magnetization       0.0000029

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -684.90804062
  -exchange      EXHF   =        33.18628951
  -V(xc)+E(xc)   XCENC  =       -83.57434356
  PAW double counting   =     99416.17936170   -99315.21507085
  entropy T*S    EENTRO =        -0.00302541
  eigenvalues    EBANDS =       -35.75051695
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88513139 eV

  energy without entropy =      -13.88210598  energy(sigma->0) =      -13.88412292
  exchange ACFDT corr.  =        -0.00353178  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2373: real time      1.2427
    TRIAL :  cpu time    574.9527: real time    579.5510
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    577.1824: real time    581.7937

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7899217E-02  (-0.6669218E-02)
 number of electron      15.0000000 magnetization      -0.0000156
 augmentation part       -0.0019395 magnetization       0.0000024

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.30988682
  -exchange      EXHF   =        33.18305684
  -V(xc)+E(xc)   XCENC  =       -83.57548003
  PAW double counting   =     99422.86821306   -99321.90414818
  entropy T*S    EENTRO =        -0.00299617
  eigenvalues    EBANDS =       -35.35187355
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89303061 eV

  energy without entropy =      -13.89003443  energy(sigma->0) =      -13.89203188
  exchange ACFDT corr.  =        -0.00351445  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7284
    SETDIJ:  cpu time      1.2375: real time      1.2427
    TRIAL :  cpu time    576.6128: real time    581.2268
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    578.8426: real time    583.4693

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3936876E-02  (-0.3841125E-02)
 number of electron      15.0000000 magnetization      -0.0000158
 augmentation part       -0.0019076 magnetization       0.0000016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.68960189
  -exchange      EXHF   =        33.18332643
  -V(xc)+E(xc)   XCENC  =       -83.57546516
  PAW double counting   =     99479.33363171   -99378.37007678
  entropy T*S    EENTRO =        -0.00290954
  eigenvalues    EBANDS =       -34.97589911
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89696748 eV

  energy without entropy =      -13.89405794  energy(sigma->0) =      -13.89599764
  exchange ACFDT corr.  =        -0.00348918  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7279
    SETDIJ:  cpu time      1.2381: real time      1.2433
    TRIAL :  cpu time    577.3190: real time    581.9336
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    579.5491: real time    584.1763

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2565894E-02  (-0.1376530E-02)
 number of electron      15.0000000 magnetization      -0.0000156
 augmentation part       -0.0018655 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.62983809
  -exchange      EXHF   =        33.18439735
  -V(xc)+E(xc)   XCENC  =       -83.57518152
  PAW double counting   =     99581.84198764   -99480.87879904
  entropy T*S    EENTRO =        -0.00281628
  eigenvalues    EBANDS =       -35.03930367
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89953338 eV

  energy without entropy =      -13.89671710  energy(sigma->0) =      -13.89859462
  exchange ACFDT corr.  =        -0.00343973  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7286
    SETDIJ:  cpu time      1.2393: real time      1.2445
    TRIAL :  cpu time    575.3620: real time    579.9797
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    577.5939: real time    582.2243

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9540155E-03  (-0.9493377E-03)
 number of electron      15.0000000 magnetization      -0.0000151
 augmentation part       -0.0018129 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.51322200
  -exchange      EXHF   =        33.18547080
  -V(xc)+E(xc)   XCENC  =       -83.57484424
  PAW double counting   =     99708.68790685   -99607.72494821
  entropy T*S    EENTRO =        -0.00277431
  eigenvalues    EBANDS =       -35.15814781
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90048739 eV

  energy without entropy =      -13.89771308  energy(sigma->0) =      -13.89956262
  exchange ACFDT corr.  =        -0.00338142  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2341: real time      1.2392
    TRIAL :  cpu time    574.5594: real time    579.1208
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    576.7858: real time    581.3598

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6018812E-03  (-0.6212699E-03)
 number of electron      15.0000000 magnetization      -0.0000147
 augmentation part       -0.0017550 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.62958626
  -exchange      EXHF   =        33.18650188
  -V(xc)+E(xc)   XCENC  =       -83.57447092
  PAW double counting   =     99845.12415266   -99744.16127946
  entropy T*S    EENTRO =        -0.00277533
  eigenvalues    EBANDS =       -35.04374635
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90108927 eV

  energy without entropy =      -13.89831395  energy(sigma->0) =      -13.90016416
  exchange ACFDT corr.  =        -0.00334865  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7284
    SETDIJ:  cpu time      1.2337: real time      1.2386
    TRIAL :  cpu time    574.1810: real time    578.7317
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    576.4069: real time    580.9700

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4591158E-03  (-0.3174404E-03)
 number of electron      15.0000000 magnetization      -0.0000142
 augmentation part       -0.0016968 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.80098330
  -exchange      EXHF   =        33.18698488
  -V(xc)+E(xc)   XCENC  =       -83.57427419
  PAW double counting   =     99979.46341242   -99878.50052088
  entropy T*S    EENTRO =        -0.00276151
  eigenvalues    EBANDS =       -34.87350547
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90154839 eV

  energy without entropy =      -13.89878688  energy(sigma->0) =      -13.90062788
  exchange ACFDT corr.  =        -0.00333223  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7283
    SETDIJ:  cpu time      1.2312: real time      1.2363
    TRIAL :  cpu time    573.2497: real time    577.7996
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.4737: real time    580.0362

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2518630E-03  (-0.2249126E-03)
 number of electron      15.0000000 magnetization      -0.0000137
 augmentation part       -0.0016428 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.78046342
  -exchange      EXHF   =        33.18658167
  -V(xc)+E(xc)   XCENC  =       -83.57439813
  PAW double counting   =    100100.91857525   -99999.95566949
  entropy T*S    EENTRO =        -0.00273271
  eigenvalues    EBANDS =       -34.89377810
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90180025 eV

  energy without entropy =      -13.89906754  energy(sigma->0) =      -13.90088935
  exchange ACFDT corr.  =        -0.00336422  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7279
    SETDIJ:  cpu time      1.2330: real time      1.2379
    TRIAL :  cpu time    574.6710: real time    579.2119
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    576.8958: real time    581.4491

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1535645E-03  (-0.1099172E-03)
 number of electron      15.0000000 magnetization      -0.0000132
 augmentation part       -0.0015957 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.65777996
  -exchange      EXHF   =        33.18588009
  -V(xc)+E(xc)   XCENC  =       -83.57463708
  PAW double counting   =    100207.90350429  -100106.94051185
  entropy T*S    EENTRO =        -0.00271484
  eigenvalues    EBANDS =       -35.01579008
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90195382 eV

  energy without entropy =      -13.89923897  energy(sigma->0) =      -13.90104887
  exchange ACFDT corr.  =        -0.00333479  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7232: real time      0.7285
    SETDIJ:  cpu time      1.2334: real time      1.2385
    TRIAL :  cpu time    575.5855: real time    580.1251
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    577.8117: real time    582.3638

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8305737E-04  (-0.5223195E-04)
 number of electron      15.0000000 magnetization      -0.0000127
 augmentation part       -0.0015559 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.61697611
  -exchange      EXHF   =        33.18554208
  -V(xc)+E(xc)   XCENC  =       -83.57474891
  PAW double counting   =    100302.81528686  -100201.85228125
  entropy T*S    EENTRO =        -0.00270395
  eigenvalues    EBANDS =       -35.05625820
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90203687 eV

  energy without entropy =      -13.89933293  energy(sigma->0) =      -13.90113556
  exchange ACFDT corr.  =        -0.00327417  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  13)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7280
    SETDIJ:  cpu time      1.2298: real time      1.2349
    TRIAL :  cpu time    573.5592: real time    578.1068
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    575.7819: real time    580.3418

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3928551E-04  (-0.2927755E-04)
 number of electron      15.0000000 magnetization      -0.0000121
 augmentation part       -0.0015230 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.65218596
  -exchange      EXHF   =        33.18554642
  -V(xc)+E(xc)   XCENC  =       -83.57474302
  PAW double counting   =    100385.70766950  -100284.74468478
  entropy T*S    EENTRO =        -0.00269208
  eigenvalues    EBANDS =       -35.02108788
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90207616 eV

  energy without entropy =      -13.89938408  energy(sigma->0) =      -13.90117880
  exchange ACFDT corr.  =        -0.00326093  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  14)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7282
    SETDIJ:  cpu time      1.2305: real time      1.2356
    TRIAL :  cpu time    573.7973: real time    578.3398
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    576.0209: real time    580.5757

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1932305E-04  (-0.1416090E-04)
 number of electron      15.0000000 magnetization      -0.0000115
 augmentation part       -0.0014958 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.67915916
  -exchange      EXHF   =        33.18561039
  -V(xc)+E(xc)   XCENC  =       -83.57472385
  PAW double counting   =    100455.99660689  -100355.03365175
  entropy T*S    EENTRO =        -0.00268087
  eigenvalues    EBANDS =       -34.99419942
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90209548 eV

  energy without entropy =      -13.89941461  energy(sigma->0) =      -13.90120186
  exchange ACFDT corr.  =        -0.00324950  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  15)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7280
    SETDIJ:  cpu time      1.2326: real time      1.2377
    TRIAL :  cpu time    574.4419: real time    578.9906
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2644: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    576.6658: real time    581.2269

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1107955E-04  (-0.7809178E-05)
 number of electron      15.0000000 magnetization      -0.0000109
 augmentation part       -0.0014729 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.67455815
  -exchange      EXHF   =        33.18561003
  -V(xc)+E(xc)   XCENC  =       -83.57472987
  PAW double counting   =    100515.33053329  -100414.36761890
  entropy T*S    EENTRO =        -0.00267169
  eigenvalues    EBANDS =       -34.99877559
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90210656 eV

  energy without entropy =      -13.89943487  energy(sigma->0) =      -13.90121600
  exchange ACFDT corr.  =        -0.00323953  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     12(  16)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7282
    SETDIJ:  cpu time      1.2317: real time      1.2368
    TRIAL :  cpu time    574.3010: real time    578.8377
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    570.8927: real time    575.5004
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time   1147.4181: real time   1156.5750

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6181697E-05  (-0.5924312E-05)
 number of electron      15.0000000 magnetization      -0.0000104
 augmentation part       -0.0014529 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.61872925
  -Hartree energ DENC   =      -685.66236584
  -exchange      EXHF   =        33.18553082
  -V(xc)+E(xc)   XCENC  =       -83.57474914
  PAW double counting   =    100565.28768731  -100464.32481767
  entropy T*S    EENTRO =        -0.00266548
  eigenvalues    EBANDS =       -35.01087718
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90211274 eV

  energy without entropy =      -13.89944726  energy(sigma->0) =      -13.90122425
  exchange ACFDT corr.  =        -0.00323130  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9301


 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 -69.7764       3 -69.8028       4 -69.8040       5 -69.9108
 
 
 
 E-fermi :   3.1661     XC(G=0):  -5.1300     alpha+bet : -8.9779

 Fermi energy:         3.1661424818

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8384      1.00000
      2      -9.9552      1.00000
      3      -8.6039      1.00000
      4      -6.7558      1.00000
      5      -4.3808      1.00000
      6      -1.6061      1.00000
      7       1.5335      1.00000
      8       4.5761     -0.00000
      9       5.4012     -0.00000
     10       7.9170     -0.00000
     11       7.9569     -0.00000
     12      11.8832      0.00000
     13      12.1555      0.00000
     14      16.1173      0.00000
     15      16.1451      0.00000
     16      16.1922      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6298      1.00000
      2      -9.7460      1.00000
      3      -8.3936      1.00000
      4      -6.5438      1.00000
      5      -4.1647      1.00000
      6      -1.3958      1.00000
      7       1.7473      1.00000
      8       4.7592     -0.00000
      9       5.5756     -0.00000
     10       8.0852     -0.00000
     11       8.1224     -0.00000
     12      12.0156      0.00000
     13      12.2560      0.00000
     14      13.1652      0.00000
     15      13.8838      0.00000
     16      14.3799      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6298      1.00000
      2      -9.7460      1.00000
      3      -8.3936      1.00000
      4      -6.5438      1.00000
      5      -4.1647      1.00000
      6      -1.3958      1.00000
      7       1.7473      1.00000
      8       4.7592     -0.00000
      9       5.5756     -0.00000
     10       8.0852     -0.00000
     11       8.1224     -0.00000
     12      12.0156      0.00000
     13      12.2560      0.00000
     14      13.1652      0.00000
     15      13.8837      0.00000
     16      14.4087      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6298      1.00000
      2      -9.7460      1.00000
      3      -8.3936      1.00000
      4      -6.5438      1.00000
      5      -4.1647      1.00000
      6      -1.3958      1.00000
      7       1.7473      1.00000
      8       4.7592     -0.00000
      9       5.5756     -0.00000
     10       8.0852     -0.00000
     11       8.1224     -0.00000
     12      12.0156      0.00000
     13      12.2560      0.00000
     14      13.1652      0.00000
     15      13.8837      0.00000
     16      14.3798      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0038      1.00000
      2      -9.1182      1.00000
      3      -7.7625      1.00000
      4      -5.9076      1.00000
      5      -3.5173      1.00000
      6      -0.7657      1.00000
      7       2.3763      1.00000
      8       5.2926     -0.00000
      9       6.0940     -0.00000
     10       8.4735     -0.00000
     11       8.6073     -0.00000
     12       9.7649      0.00000
     13      10.3101      0.00000
     14      11.3911      0.00000
     15      12.4878      0.00000
     16      12.7710      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0038      1.00000
      2      -9.1182      1.00000
      3      -7.7625      1.00000
      4      -5.9076      1.00000
      5      -3.5173      1.00000
      6      -0.7657      1.00000
      7       2.3763      1.00000
      8       5.2926     -0.00000
      9       6.0940     -0.00000
     10       8.4735     -0.00000
     11       8.6073     -0.00000
     12       9.7649      0.00000
     13      10.3101      0.00000
     14      11.3911      0.00000
     15      12.4900      0.00000
     16      12.7878      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0038      1.00000
      2      -9.1182      1.00000
      3      -7.7625      1.00000
      4      -5.9076      1.00000
      5      -3.5173      1.00000
      6      -0.7657      1.00000
      7       2.3763      1.00000
      8       5.2926     -0.00000
      9       6.0940     -0.00000
     10       8.4735     -0.00000
     11       8.6073     -0.00000
     12       9.7649      0.00000
     13      10.3101      0.00000
     14      11.3911      0.00000
     15      12.4933      0.00000
     16      12.8224      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9597      1.00000
      2      -8.0708      1.00000
      3      -6.7095      1.00000
      4      -4.8471      1.00000
      5      -2.4441      1.00000
      6       0.2742      1.00000
      7       3.3465     -0.01351
      8       5.6616     -0.00000
      9       6.5358     -0.00000
     10       6.8897     -0.00000
     11       7.0456     -0.00000
     12       8.0819     -0.00000
     13       9.3959      0.00000
     14       9.5682      0.00000
     15       9.7941      0.00000
     16      11.5622      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9597      1.00000
      2      -8.0708      1.00000
      3      -6.7095      1.00000
      4      -4.8471      1.00000
      5      -2.4441      1.00000
      6       0.2742      1.00000
      7       3.3465     -0.01351
      8       5.6616     -0.00000
      9       6.5358     -0.00000
     10       6.8897     -0.00000
     11       7.0456     -0.00000
     12       8.0819     -0.00000
     13       9.3959      0.00000
     14       9.5682      0.00000
     15       9.7941      0.00000
     16      11.5679      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9597      1.00000
      2      -8.0708      1.00000
      3      -6.7095      1.00000
      4      -4.8471      1.00000
      5      -2.4441      1.00000
      6       0.2742      1.00000
      7       3.3465     -0.01351
      8       5.6616     -0.00000
      9       6.5358     -0.00000
     10       6.8897     -0.00000
     11       7.0456     -0.00000
     12       8.0819     -0.00000
     13       9.3959      0.00000
     14       9.5682      0.00000
     15       9.7941      0.00000
     16      11.5885      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4955      1.00000
      2      -6.6013      1.00000
      3      -5.2331      1.00000
      4      -3.3661      1.00000
      5      -0.9747      1.00000
      6       1.5779      1.00000
      7       2.5984      1.00023
      8       3.5571     -0.00911
      9       4.8099     -0.00000
     10       5.0739     -0.00000
     11       6.5335     -0.00000
     12       7.6063     -0.00000
     13       8.2031     -0.00000
     14       8.6754      0.00000
     15      10.5043      0.00000
     16      10.8074      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4955      1.00000
      2      -6.6013      1.00000
      3      -5.2331      1.00000
      4      -3.3661      1.00000
      5      -0.9747      1.00000
      6       1.5779      1.00000
      7       2.5984      1.00023
      8       3.5571     -0.00911
      9       4.8099     -0.00000
     10       5.0738     -0.00000
     11       6.5335     -0.00000
     12       7.6063     -0.00000
     13       8.2031     -0.00000
     14       8.6754      0.00000
     15      10.5045      0.00000
     16      10.8054      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4955      1.00000
      2      -6.6013      1.00000
      3      -5.2331      1.00000
      4      -3.3661      1.00000
      5      -0.9747      1.00000
      6       1.5779      1.00000
      7       2.5984      1.00023
      8       3.5571     -0.00911
      9       4.8099     -0.00000
     10       5.0738     -0.00000
     11       6.5335     -0.00000
     12       7.6063     -0.00000
     13       8.2031     -0.00000
     14       8.6754      0.00000
     15      10.5041      0.00000
     16      10.8040      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6072      1.00000
      2      -4.7073      1.00000
      3      -3.3381      1.00000
      4      -1.5095      1.00000
      5      -0.6071      1.00000
      6       0.1422      1.00000
      7       1.1044      1.00000
      8       2.0220      1.00000
      9       3.6543     -0.00147
     10       3.7367     -0.00020
     11       5.8971     -0.00000
     12       6.6430     -0.00000
     13       8.2207     -0.00000
     14       9.1585      0.00000
     15       9.7450      0.00000
     16      10.5894      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6072      1.00000
      2      -4.7073      1.00000
      3      -3.3381      1.00000
      4      -1.5095      1.00000
      5      -0.6071      1.00000
      6       0.1422      1.00000
      7       1.1044      1.00000
      8       2.0220      1.00000
      9       3.6543     -0.00147
     10       3.7367     -0.00020
     11       5.8971     -0.00000
     12       6.6430     -0.00000
     13       8.2207     -0.00000
     14       9.1585      0.00000
     15       9.7450      0.00000
     16      10.4582      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6072      1.00000
      2      -4.7073      1.00000
      3      -3.3381      1.00000
      4      -1.5095      1.00000
      5      -0.6071      1.00000
      6       0.1422      1.00000
      7       1.1044      1.00000
      8       2.0220      1.00000
      9       3.6543     -0.00147
     10       3.7367     -0.00020
     11       5.8971     -0.00000
     12       6.6430     -0.00000
     13       8.2207     -0.00000
     14       9.1585      0.00000
     15       9.7450      0.00000
     16      10.4806      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3070      1.00000
      2      -3.2836      1.00000
      3      -2.4110      1.00000
      4      -2.3934      1.00000
      5      -1.2715      1.00000
      6      -0.8822      1.00000
      7       0.6531      1.00000
      8       1.3868      1.00000
      9       3.3508     -0.01596
     10       3.4805     -0.02399
     11       5.6715     -0.00000
     12       6.0036     -0.00000
     13       8.3410     -0.00000
     14       8.8179      0.00000
     15      10.2883      0.00000
     16      10.5292      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3070      1.00000
      2      -3.2836      1.00000
      3      -2.4110      1.00000
      4      -2.3934      1.00000
      5      -1.2715      1.00000
      6      -0.8822      1.00000
      7       0.6531      1.00000
      8       1.3868      1.00000
      9       3.3508     -0.01594
     10       3.4805     -0.02399
     11       5.6715     -0.00000
     12       6.0036     -0.00000
     13       8.3410     -0.00000
     14       8.8179      0.00000
     15      10.2889      0.00000
     16      10.5323      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3070      1.00000
      2      -3.2836      1.00000
      3      -2.4110      1.00000
      4      -2.3934      1.00000
      5      -1.2715      1.00000
      6      -0.8822      1.00000
      7       0.6531      1.00000
      8       1.3868      1.00000
      9       3.3508     -0.01595
     10       3.4805     -0.02399
     11       5.6715     -0.00000
     12       6.0036     -0.00000
     13       8.3410     -0.00000
     14       8.8179      0.00000
     15      10.2885      0.00000
     16      10.5292      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2124      1.00000
      2      -9.3275      1.00000
      3      -7.9729      1.00000
      4      -6.1197      1.00000
      5      -3.7329      1.00000
      6      -0.9755      1.00000
      7       2.1692      1.00000
      8       5.1191     -0.00000
      9       5.9226     -0.00000
     10       8.4114     -0.00000
     11       8.4333     -0.00000
     12      11.4770      0.00000
     13      11.4958      0.00000
     14      11.9141      0.00000
     15      12.0357      0.00000
     16      12.6450      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2124      1.00000
      2      -9.3275      1.00000
      3      -7.9729      1.00000
      4      -6.1197      1.00000
      5      -3.7329      1.00000
      6      -0.9755      1.00000
      7       2.1692      1.00000
      8       5.1191     -0.00000
      9       5.9226     -0.00000
     10       8.4114     -0.00000
     11       8.4333     -0.00000
     12      11.4769      0.00000
     13      11.4965      0.00000
     14      11.9142      0.00000
     15      12.0356      0.00000
     16      12.6333      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2124      1.00000
      2      -9.3275      1.00000
      3      -7.9729      1.00000
      4      -6.1197      1.00000
      5      -3.7329      1.00000
      6      -0.9755      1.00000
      7       2.1692      1.00000
      8       5.1191     -0.00000
      9       5.9226     -0.00000
     10       8.4114     -0.00000
     11       8.4333     -0.00000
     12      11.4770      0.00000
     13      11.4957      0.00000
     14      11.9143      0.00000
     15      12.0361      0.00000
     16      12.6503      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2712      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7554      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2712      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7554      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2712      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2712      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2712      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7555      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2712      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7552      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5952      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9447      0.00000
     15       9.6211      0.00000
     16      10.0976      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5952      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9447      0.00000
     15       9.6208      0.00000
     16      10.0090      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5952      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9449      0.00000
     15       9.6227      0.00000
     16      10.2261      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5952      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9455      0.00000
     15       9.6213      0.00000
     16      10.2183      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5952      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9447      0.00000
     15       9.6208      0.00000
     16      10.0241      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5952      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9450      0.00000
     15       9.7186      0.00000
     16      10.1248      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0145      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01141
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0911      0.00000
     16       9.1434      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0145      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01143
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1432      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0145      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01141
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1427      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0145      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01141
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1431      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0145      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01141
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6382      0.00000
     15       9.0910      0.00000
     16       9.1435      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0145      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01143
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0913      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8913     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6765      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8913     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6773      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8913     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0185     -0.00000
     15       8.8487      0.00000
     16       9.6830      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8913     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6776      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8913     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6770      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8913     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0185     -0.00000
     15       8.8486      0.00000
     16       9.6899      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3329      1.00000
      2      -7.4417      1.00000
      3      -6.0772      1.00000
      4      -4.2112      1.00000
      5      -1.8054      1.00000
      6       0.8900      1.00000
      7       3.8957     -0.00000
      8       6.0381     -0.00000
      9       6.5393     -0.00000
     10       7.2592     -0.00000
     11       7.3219     -0.00000
     12       7.5126     -0.00000
     13       7.5953     -0.00000
     14       8.3954     -0.00000
     15       8.7580      0.00000
     16      10.0379      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3329      1.00000
      2      -7.4417      1.00000
      3      -6.0772      1.00000
      4      -4.2112      1.00000
      5      -1.8054      1.00000
      6       0.8900      1.00000
      7       3.8957     -0.00000
      8       6.0381     -0.00000
      9       6.5393     -0.00000
     10       7.2592     -0.00000
     11       7.3219     -0.00000
     12       7.5125     -0.00000
     13       7.5953     -0.00000
     14       8.3954     -0.00000
     15       8.7580      0.00000
     16      10.0521      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3329      1.00000
      2      -7.4417      1.00000
      3      -6.0772      1.00000
      4      -4.2112      1.00000
      5      -1.8054      1.00000
      6       0.8900      1.00000
      7       3.8957     -0.00000
      8       6.0381     -0.00000
      9       6.5393     -0.00000
     10       7.2592     -0.00000
     11       7.3219     -0.00000
     12       7.5126     -0.00000
     13       7.5953     -0.00000
     14       8.3954     -0.00000
     15       8.7580      0.00000
     16      10.0556      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40330
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7475      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40329
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7483      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40330
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7477      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40330
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9092     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3820     -0.00000
     16       8.7476      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40330
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7484      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40329
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7474      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8333      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4654     -0.00000
     16       8.8381      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8448      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4654     -0.00000
     16       8.8498      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8755      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8678      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6811      1.00000
      2      -2.6572      1.00000
      3      -1.7830      1.00000
      4      -1.7747      1.00000
      5      -0.6571      1.00000
      6      -0.2686      1.00000
      7       1.2543      1.00000
      8       1.9794      1.00000
      9       3.7514     -0.00014
     10       3.8836     -0.00000
     11       4.7529     -0.00000
     12       5.7750     -0.00000
     13       6.3927     -0.00000
     14       6.7430     -0.00000
     15       7.1382     -0.00000
     16       8.7104      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6811      1.00000
      2      -2.6572      1.00000
      3      -1.7830      1.00000
      4      -1.7747      1.00000
      5      -0.6571      1.00000
      6      -0.2686      1.00000
      7       1.2543      1.00000
      8       1.9794      1.00000
      9       3.7514     -0.00014
     10       3.8836     -0.00000
     11       4.7529     -0.00000
     12       5.7750     -0.00000
     13       6.3927     -0.00000
     14       6.7430     -0.00000
     15       7.1382     -0.00000
     16       8.6953      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6811      1.00000
      2      -2.6572      1.00000
      3      -1.7830      1.00000
      4      -1.7747      1.00000
      5      -0.6571      1.00000
      6      -0.2686      1.00000
      7       1.2543      1.00000
      8       1.9794      1.00000
      9       3.7514     -0.00014
     10       3.8836     -0.00000
     11       4.7529     -0.00000
     12       5.7750     -0.00000
     13       6.3927     -0.00000
     14       6.7430     -0.00000
     15       7.1382     -0.00000
     16       8.6939      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1897      1.00000
      2      -4.2889      1.00000
      3      -2.9177      1.00000
      4      -1.0737      1.00000
      5       1.1258      1.00000
      6       2.1551      1.00000
      7       2.3228      1.00000
      8       3.0278      0.95590
      9       3.4688     -0.02694
     10       4.2417     -0.00000
     11       4.4912     -0.00000
     12       4.8687     -0.00000
     13       6.2211     -0.00000
     14       6.8512     -0.00000
     15       7.1853     -0.00000
     16       8.6549      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1897      1.00000
      2      -4.2889      1.00000
      3      -2.9177      1.00000
      4      -1.0737      1.00000
      5       1.1258      1.00000
      6       2.1551      1.00000
      7       2.3228      1.00000
      8       3.0278      0.95590
      9       3.4688     -0.02694
     10       4.2417     -0.00000
     11       4.4912     -0.00000
     12       4.8687     -0.00000
     13       6.2211     -0.00000
     14       6.8512     -0.00000
     15       7.1853     -0.00000
     16       8.6602      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1897      1.00000
      2      -4.2889      1.00000
      3      -2.9177      1.00000
      4      -1.0737      1.00000
      5       1.1257      1.00000
      6       2.1551      1.00000
      7       2.3228      1.00000
      8       3.0278      0.95590
      9       3.4688     -0.02694
     10       4.2417     -0.00000
     11       4.4912     -0.00000
     12       4.8687     -0.00000
     13       6.2211     -0.00000
     14       6.8512     -0.00000
     15       7.1853     -0.00000
     16       8.6634      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1931      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1920      0.38936
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2034     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1931      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1919      0.38961
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2232     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1931      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1920      0.38935
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2129     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1931      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1920      0.38937
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2111     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1931      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1920      0.38942
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2106     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1931      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1919      0.38964
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.3665     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8190      1.00000
      2      -0.7998      1.00000
      3      -0.7724      1.00000
      4       0.0248      1.00000
      5       0.0787      1.00000
      6       0.1066      1.00000
      7       1.1061      1.00000
      8       1.1306      1.00000
      9       1.8105      1.00000
     10       2.6973      1.00226
     11       4.0872     -0.00000
     12       4.1122     -0.00000
     13       5.9300     -0.00000
     14       5.9764     -0.00000
     15       6.0062     -0.00000
     16       8.0056     -0.00000
 Fermi energy:         3.1661424818

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8384      1.00000
      2      -9.9553      1.00000
      3      -8.6039      1.00000
      4      -6.7558      1.00000
      5      -4.3808      1.00000
      6      -1.6061      1.00000
      7       1.5335      1.00000
      8       4.5761     -0.00000
      9       5.4012     -0.00000
     10       7.9170     -0.00000
     11       7.9569     -0.00000
     12      11.8832      0.00000
     13      12.1555      0.00000
     14      16.1165      0.00000
     15      16.1867      0.00000
     16      16.3078      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6298      1.00000
      2      -9.7460      1.00000
      3      -8.3936      1.00000
      4      -6.5438      1.00000
      5      -4.1647      1.00000
      6      -1.3958      1.00000
      7       1.7473      1.00000
      8       4.7592     -0.00000
      9       5.5756     -0.00000
     10       8.0852     -0.00000
     11       8.1225     -0.00000
     12      12.0156      0.00000
     13      12.2560      0.00000
     14      13.1652      0.00000
     15      13.8836      0.00000
     16      14.3770      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6298      1.00000
      2      -9.7460      1.00000
      3      -8.3936      1.00000
      4      -6.5438      1.00000
      5      -4.1647      1.00000
      6      -1.3958      1.00000
      7       1.7473      1.00000
      8       4.7592     -0.00000
      9       5.5756     -0.00000
     10       8.0852     -0.00000
     11       8.1225     -0.00000
     12      12.0156      0.00000
     13      12.2560      0.00000
     14      13.1652      0.00000
     15      13.8836      0.00000
     16      14.3763      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6298      1.00000
      2      -9.7460      1.00000
      3      -8.3936      1.00000
      4      -6.5438      1.00000
      5      -4.1647      1.00000
      6      -1.3958      1.00000
      7       1.7473      1.00000
      8       4.7592     -0.00000
      9       5.5756     -0.00000
     10       8.0852     -0.00000
     11       8.1225     -0.00000
     12      12.0156      0.00000
     13      12.2560      0.00000
     14      13.1652      0.00000
     15      13.8838      0.00000
     16      14.3787      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0038      1.00000
      2      -9.1182      1.00000
      3      -7.7625      1.00000
      4      -5.9076      1.00000
      5      -3.5174      1.00000
      6      -0.7657      1.00000
      7       2.3763      1.00000
      8       5.2926     -0.00000
      9       6.0940     -0.00000
     10       8.4735     -0.00000
     11       8.6073     -0.00000
     12       9.7649      0.00000
     13      10.3101      0.00000
     14      11.3911      0.00000
     15      12.4958      0.00000
     16      12.8186      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0038      1.00000
      2      -9.1182      1.00000
      3      -7.7625      1.00000
      4      -5.9076      1.00000
      5      -3.5174      1.00000
      6      -0.7657      1.00000
      7       2.3763      1.00000
      8       5.2926     -0.00000
      9       6.0940     -0.00000
     10       8.4735     -0.00000
     11       8.6073     -0.00000
     12       9.7649      0.00000
     13      10.3101      0.00000
     14      11.3911      0.00000
     15      12.4877      0.00000
     16      12.7674      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0038      1.00000
      2      -9.1182      1.00000
      3      -7.7625      1.00000
      4      -5.9076      1.00000
      5      -3.5174      1.00000
      6      -0.7657      1.00000
      7       2.3763      1.00000
      8       5.2926     -0.00000
      9       6.0940     -0.00000
     10       8.4735     -0.00000
     11       8.6073     -0.00000
     12       9.7649      0.00000
     13      10.3101      0.00000
     14      11.3911      0.00000
     15      12.4913      0.00000
     16      12.7930      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9597      1.00000
      2      -8.0708      1.00000
      3      -6.7095      1.00000
      4      -4.8471      1.00000
      5      -2.4441      1.00000
      6       0.2742      1.00000
      7       3.3465     -0.01351
      8       5.6616     -0.00000
      9       6.5358     -0.00000
     10       6.8897     -0.00000
     11       7.0456     -0.00000
     12       8.0819     -0.00000
     13       9.3959      0.00000
     14       9.5682      0.00000
     15       9.7941      0.00000
     16      11.5639      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9597      1.00000
      2      -8.0708      1.00000
      3      -6.7095      1.00000
      4      -4.8471      1.00000
      5      -2.4441      1.00000
      6       0.2742      1.00000
      7       3.3465     -0.01351
      8       5.6616     -0.00000
      9       6.5358     -0.00000
     10       6.8897     -0.00000
     11       7.0456     -0.00000
     12       8.0819     -0.00000
     13       9.3959      0.00000
     14       9.5682      0.00000
     15       9.7941      0.00000
     16      11.5838      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9597      1.00000
      2      -8.0708      1.00000
      3      -6.7095      1.00000
      4      -4.8471      1.00000
      5      -2.4441      1.00000
      6       0.2742      1.00000
      7       3.3465     -0.01351
      8       5.6616     -0.00000
      9       6.5358     -0.00000
     10       6.8897     -0.00000
     11       7.0456     -0.00000
     12       8.0819     -0.00000
     13       9.3959      0.00000
     14       9.5682      0.00000
     15       9.7941      0.00000
     16      11.5706      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4955      1.00000
      2      -6.6013      1.00000
      3      -5.2331      1.00000
      4      -3.3661      1.00000
      5      -0.9747      1.00000
      6       1.5779      1.00000
      7       2.5984      1.00023
      8       3.5571     -0.00911
      9       4.8099     -0.00000
     10       5.0738     -0.00000
     11       6.5335     -0.00000
     12       7.6063     -0.00000
     13       8.2032     -0.00000
     14       8.6754      0.00000
     15      10.5038      0.00000
     16      10.8052      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4955      1.00000
      2      -6.6013      1.00000
      3      -5.2331      1.00000
      4      -3.3661      1.00000
      5      -0.9747      1.00000
      6       1.5779      1.00000
      7       2.5984      1.00023
      8       3.5571     -0.00911
      9       4.8099     -0.00000
     10       5.0738     -0.00000
     11       6.5335     -0.00000
     12       7.6063     -0.00000
     13       8.2032     -0.00000
     14       8.6754      0.00000
     15      10.5058      0.00000
     16      10.8063      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4955      1.00000
      2      -6.6013      1.00000
      3      -5.2331      1.00000
      4      -3.3661      1.00000
      5      -0.9747      1.00000
      6       1.5779      1.00000
      7       2.5984      1.00023
      8       3.5571     -0.00911
      9       4.8099     -0.00000
     10       5.0738     -0.00000
     11       6.5335     -0.00000
     12       7.6063     -0.00000
     13       8.2032     -0.00000
     14       8.6754      0.00000
     15      10.5055      0.00000
     16      10.8056      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6072      1.00000
      2      -4.7073      1.00000
      3      -3.3381      1.00000
      4      -1.5095      1.00000
      5      -0.6071      1.00000
      6       0.1422      1.00000
      7       1.1044      1.00000
      8       2.0220      1.00000
      9       3.6543     -0.00147
     10       3.7367     -0.00020
     11       5.8971     -0.00000
     12       6.6430     -0.00000
     13       8.2207     -0.00000
     14       9.1585      0.00000
     15       9.7450      0.00000
     16      10.4884      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6072      1.00000
      2      -4.7073      1.00000
      3      -3.3381      1.00000
      4      -1.5095      1.00000
      5      -0.6071      1.00000
      6       0.1422      1.00000
      7       1.1044      1.00000
      8       2.0220      1.00000
      9       3.6543     -0.00147
     10       3.7367     -0.00020
     11       5.8971     -0.00000
     12       6.6430     -0.00000
     13       8.2207     -0.00000
     14       9.1585      0.00000
     15       9.7450      0.00000
     16      10.5223      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6072      1.00000
      2      -4.7073      1.00000
      3      -3.3381      1.00000
      4      -1.5095      1.00000
      5      -0.6071      1.00000
      6       0.1422      1.00000
      7       1.1044      1.00000
      8       2.0220      1.00000
      9       3.6543     -0.00147
     10       3.7367     -0.00020
     11       5.8971     -0.00000
     12       6.6430     -0.00000
     13       8.2207     -0.00000
     14       9.1585      0.00000
     15       9.7450      0.00000
     16      10.5279      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3071      1.00000
      2      -3.2836      1.00000
      3      -2.4110      1.00000
      4      -2.3934      1.00000
      5      -1.2715      1.00000
      6      -0.8822      1.00000
      7       0.6531      1.00000
      8       1.3868      1.00000
      9       3.3508     -0.01594
     10       3.4805     -0.02399
     11       5.6715     -0.00000
     12       6.0036     -0.00000
     13       8.3410     -0.00000
     14       8.8179      0.00000
     15      10.2932      0.00000
     16      10.5378      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3070      1.00000
      2      -3.2836      1.00000
      3      -2.4110      1.00000
      4      -2.3934      1.00000
      5      -1.2715      1.00000
      6      -0.8822      1.00000
      7       0.6531      1.00000
      8       1.3868      1.00000
      9       3.3508     -0.01595
     10       3.4805     -0.02399
     11       5.6715     -0.00000
     12       6.0036     -0.00000
     13       8.3410     -0.00000
     14       8.8179      0.00000
     15      10.2883      0.00000
     16      10.5305      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3071      1.00000
      2      -3.2836      1.00000
      3      -2.4110      1.00000
      4      -2.3934      1.00000
      5      -1.2715      1.00000
      6      -0.8822      1.00000
      7       0.6531      1.00000
      8       1.3868      1.00000
      9       3.3508     -0.01594
     10       3.4805     -0.02399
     11       5.6715     -0.00000
     12       6.0036     -0.00000
     13       8.3410     -0.00000
     14       8.8179      0.00000
     15      10.2886      0.00000
     16      10.5296      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2125      1.00000
      2      -9.3275      1.00000
      3      -7.9729      1.00000
      4      -6.1197      1.00000
      5      -3.7330      1.00000
      6      -0.9755      1.00000
      7       2.1692      1.00000
      8       5.1191     -0.00000
      9       5.9226     -0.00000
     10       8.4114     -0.00000
     11       8.4333     -0.00000
     12      11.4770      0.00000
     13      11.4957      0.00000
     14      11.9142      0.00000
     15      12.0359      0.00000
     16      12.6419      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2125      1.00000
      2      -9.3275      1.00000
      3      -7.9729      1.00000
      4      -6.1197      1.00000
      5      -3.7330      1.00000
      6      -0.9755      1.00000
      7       2.1692      1.00000
      8       5.1191     -0.00000
      9       5.9226     -0.00000
     10       8.4114     -0.00000
     11       8.4333     -0.00000
     12      11.4769      0.00000
     13      11.4957      0.00000
     14      11.9143      0.00000
     15      12.0365      0.00000
     16      12.6287      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2125      1.00000
      2      -9.3275      1.00000
      3      -7.9729      1.00000
      4      -6.1197      1.00000
      5      -3.7330      1.00000
      6      -0.9755      1.00000
      7       2.1692      1.00000
      8       5.1191     -0.00000
      9       5.9226     -0.00000
     10       8.4114     -0.00000
     11       8.4333     -0.00000
     12      11.4770      0.00000
     13      11.4957      0.00000
     14      11.9141      0.00000
     15      12.0410      0.00000
     16      12.6885      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2713      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2713      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2713      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2713      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2713      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7552      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3775      1.00000
      2      -8.4900      1.00000
      3      -7.1309      1.00000
      4      -5.2713      1.00000
      5      -2.8722      1.00000
      6      -0.1388      1.00000
      7       2.9809      1.01392
      8       5.7776     -0.00000
      9       6.5931     -0.00000
     10       7.9059     -0.00000
     11       8.6110     -0.00000
     12       8.9982      0.00000
     13       9.4152      0.00000
     14       9.8487      0.00000
     15      10.2171      0.00000
     16      10.7553      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5953      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9447      0.00000
     15       9.6207      0.00000
     16      10.0139      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5953      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9448      0.00000
     15       9.6210      0.00000
     16      10.0984      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5953      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9447      0.00000
     15       9.6208      0.00000
     16      10.0469      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5953      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9449      0.00000
     15       9.6208      0.00000
     16      10.0466      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5953      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9447      0.00000
     15       9.6221      0.00000
     16      10.2541      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1237      1.00000
      2      -7.2317      1.00000
      3      -5.8662      1.00000
      4      -3.9996      1.00000
      5      -1.5953      1.00000
      6       1.0828      1.00000
      7       3.8063     -0.00003
      8       4.6890     -0.00000
      9       5.4227     -0.00000
     10       6.5239     -0.00000
     11       7.0523     -0.00000
     12       7.6880     -0.00000
     13       8.1919     -0.00000
     14       8.9446      0.00000
     15       9.6208      0.00000
     16      10.0968      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0146      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01143
      9       3.5378     -0.01205
     10       5.2044     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0912      0.00000
     16       9.1431      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0146      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01142
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1433      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0146      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01143
      9       3.5378     -0.01205
     10       5.2044     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0911      0.00000
     16       9.1427      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0146      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01143
      9       3.5378     -0.01205
     10       5.2044     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1429      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0146      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01143
      9       3.5378     -0.01205
     10       5.2044     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1427      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4477      1.00000
      2      -5.5499      1.00000
      3      -4.1788      1.00000
      4      -2.3180      1.00000
      5      -0.0146      1.00000
      6       1.0575      1.00000
      7       2.0091      1.00000
      8       2.9852      1.01142
      9       3.5378     -0.01205
     10       5.2045     -0.00000
     11       5.8434     -0.00000
     12       7.3016     -0.00000
     13       7.9934     -0.00000
     14       8.6381      0.00000
     15       9.0910      0.00000
     16       9.1430      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8912     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8487      0.00000
     16       9.6771      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8912     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6766      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8912     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6743      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8912     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6750      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8912     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6771      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3463      1.00000
      2      -3.4466      1.00000
      3      -2.0938      1.00000
      4      -1.8327      1.00000
      5      -1.0019      1.00000
      6      -0.3447      1.00000
      7       0.6581      1.00000
      8       2.2785      1.00000
      9       2.6467      1.00077
     10       4.7034     -0.00000
     11       4.8912     -0.00000
     12       7.0283     -0.00000
     13       7.4771     -0.00000
     14       8.0184     -0.00000
     15       8.8486      0.00000
     16       9.6781      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3330      1.00000
      2      -7.4417      1.00000
      3      -6.0772      1.00000
      4      -4.2113      1.00000
      5      -1.8054      1.00000
      6       0.8900      1.00000
      7       3.8957     -0.00000
      8       6.0381     -0.00000
      9       6.5393     -0.00000
     10       7.2592     -0.00000
     11       7.3219     -0.00000
     12       7.5125     -0.00000
     13       7.5953     -0.00000
     14       8.3954     -0.00000
     15       8.7580      0.00000
     16      10.0424      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3330      1.00000
      2      -7.4417      1.00000
      3      -6.0772      1.00000
      4      -4.2113      1.00000
      5      -1.8054      1.00000
      6       0.8900      1.00000
      7       3.8957     -0.00000
      8       6.0381     -0.00000
      9       6.5393     -0.00000
     10       7.2592     -0.00000
     11       7.3219     -0.00000
     12       7.5125     -0.00000
     13       7.5953     -0.00000
     14       8.3954     -0.00000
     15       8.7580      0.00000
     16      10.0415      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3330      1.00000
      2      -7.4417      1.00000
      3      -6.0772      1.00000
      4      -4.2113      1.00000
      5      -1.8054      1.00000
      6       0.8900      1.00000
      7       3.8957     -0.00000
      8       6.0381     -0.00000
      9       6.5393     -0.00000
     10       7.2592     -0.00000
     11       7.3219     -0.00000
     12       7.5125     -0.00000
     13       7.5953     -0.00000
     14       8.3954     -0.00000
     15       8.7580      0.00000
     16      10.0443      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40330
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3820     -0.00000
     16       8.7474      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40330
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3820     -0.00000
     16       8.7478      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40331
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3820     -0.00000
     16       8.7479      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40331
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7478      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40331
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7474      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8679      1.00000
      2      -5.9714      1.00000
      3      -4.6007      1.00000
      4      -2.7336      1.00000
      5      -0.3534      1.00000
      6       2.1644      1.00000
      7       3.1880      0.40329
      8       4.1325     -0.00000
      9       5.1007     -0.00000
     10       5.3784     -0.00000
     11       5.9091     -0.00000
     12       6.4901     -0.00000
     13       7.0233     -0.00000
     14       7.7635     -0.00000
     15       8.3819     -0.00000
     16       8.7482      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4654     -0.00000
     16       8.8289      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8229      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4654     -0.00000
     16       8.8388      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4654     -0.00000
     16       8.8389      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0816     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8600      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9787      1.00000
      2      -4.0779      1.00000
      3      -2.7095      1.00000
      4      -0.8908      1.00000
      5       0.0094      1.00000
      6       0.7442      1.00000
      7       1.6968      1.00000
      8       2.5961      1.00022
      9       4.0817     -0.00000
     10       4.2735     -0.00000
     11       4.9134     -0.00000
     12       5.7479     -0.00000
     13       6.6113     -0.00000
     14       7.3897     -0.00000
     15       7.4655     -0.00000
     16       8.8562      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6811      1.00000
      2      -2.6572      1.00000
      3      -1.7830      1.00000
      4      -1.7747      1.00000
      5      -0.6571      1.00000
      6      -0.2686      1.00000
      7       1.2543      1.00000
      8       1.9794      1.00000
      9       3.7514     -0.00014
     10       3.8836     -0.00000
     11       4.7529     -0.00000
     12       5.7750     -0.00000
     13       6.3927     -0.00000
     14       6.7430     -0.00000
     15       7.1382     -0.00000
     16       8.6807      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6811      1.00000
      2      -2.6572      1.00000
      3      -1.7830      1.00000
      4      -1.7747      1.00000
      5      -0.6571      1.00000
      6      -0.2687      1.00000
      7       1.2543      1.00000
      8       1.9794      1.00000
      9       3.7514     -0.00014
     10       3.8836     -0.00000
     11       4.7529     -0.00000
     12       5.7750     -0.00000
     13       6.3927     -0.00000
     14       6.7430     -0.00000
     15       7.1382     -0.00000
     16       8.6797      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6811      1.00000
      2      -2.6572      1.00000
      3      -1.7830      1.00000
      4      -1.7747      1.00000
      5      -0.6571      1.00000
      6      -0.2686      1.00000
      7       1.2543      1.00000
      8       1.9794      1.00000
      9       3.7514     -0.00014
     10       3.8836     -0.00000
     11       4.7529     -0.00000
     12       5.7750     -0.00000
     13       6.3927     -0.00000
     14       6.7430     -0.00000
     15       7.1382     -0.00000
     16       8.6867      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1897      1.00000
      2      -4.2889      1.00000
      3      -2.9177      1.00000
      4      -1.0737      1.00000
      5       1.1257      1.00000
      6       2.1551      1.00000
      7       2.3228      1.00000
      8       3.0278      0.95591
      9       3.4688     -0.02694
     10       4.2417     -0.00000
     11       4.4912     -0.00000
     12       4.8687     -0.00000
     13       6.2211     -0.00000
     14       6.8512     -0.00000
     15       7.1853     -0.00000
     16       8.6580      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1897      1.00000
      2      -4.2889      1.00000
      3      -2.9177      1.00000
      4      -1.0737      1.00000
      5       1.1257      1.00000
      6       2.1551      1.00000
      7       2.3228      1.00000
      8       3.0277      0.95591
      9       3.4688     -0.02694
     10       4.2417     -0.00000
     11       4.4912     -0.00000
     12       4.8687     -0.00000
     13       6.2211     -0.00000
     14       6.8512     -0.00000
     15       7.1853     -0.00000
     16       8.6551      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1897      1.00000
      2      -4.2889      1.00000
      3      -2.9177      1.00000
      4      -1.0737      1.00000
      5       1.1257      1.00000
      6       2.1551      1.00000
      7       2.3228      1.00000
      8       3.0277      0.95592
      9       3.4688     -0.02694
     10       4.2417     -0.00000
     11       4.4912     -0.00000
     12       4.8687     -0.00000
     13       6.2211     -0.00000
     14       6.8512     -0.00000
     15       7.1853     -0.00000
     16       8.6567      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1932      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1919      0.38951
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2105     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1932      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1920      0.38948
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2167     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1932      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1919      0.38964
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2144     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1932      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1919      0.38969
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2372     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1932      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1919      0.38956
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2150     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0895      1.00000
      2      -2.1932      1.00000
      3      -0.8554      1.00000
      4      -0.5880      1.00000
      5       0.2223      1.00000
      6       0.8382      1.00000
      7       1.8002      1.00000
      8       1.8639      1.00000
      9       2.5840      1.00015
     10       3.1920      0.38950
     11       4.1157     -0.00000
     12       4.6625     -0.00000
     13       6.0349     -0.00000
     14       6.1471     -0.00000
     15       6.3446     -0.00000
     16       8.2275     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8190      1.00000
      2      -0.7998      1.00000
      3      -0.7724      1.00000
      4       0.0248      1.00000
      5       0.0787      1.00000
      6       0.1066      1.00000
      7       1.1060      1.00000
      8       1.1306      1.00000
      9       1.8105      1.00000
     10       2.6973      1.00226
     11       4.0872     -0.00000
     12       4.1122     -0.00000
     13       5.9300     -0.00000
     14       5.9764     -0.00000
     15       6.0062     -0.00000
     16       8.0084     -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
115.723 -61.811  -0.000  -0.069  -0.000   0.000  -0.025   0.000
-61.811  33.016   0.000   0.028   0.000  -0.000   0.015  -0.000
 -0.000   0.000   2.074  -0.000  -0.000  -0.322   0.000   0.000
 -0.069   0.028  -0.000   1.749  -0.000   0.000  -0.268   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
 -0.025   0.015   0.000  -0.268   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
  0.001  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    414.3301: real time    417.1858
    FORNL :  cpu time      0.4958: real time      0.5009
    FORCOR:  cpu time      1.9669: real time      1.9774
    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
 -----------------------------------------------------------------------------------------------
   0.891E-05 -.248E-05 0.181E+03   0.436E-13 0.276E-13 -.180E+03   -.851E-05 0.204E-05 -.127E+01
   0.784E-06 -.362E-05 0.899E+02   -.315E-14 0.209E-14 -.899E+02   -.433E-05 0.387E-05 0.150E+00
   0.734E-05 -.245E-05 -.141E+01   -.127E-12 -.774E-13 0.134E+01   -.616E-05 0.307E-05 0.116E+00
   0.167E-05 -.217E-04 -.913E+02   0.118E-12 0.769E-13 0.913E+02   -.540E-06 0.266E-04 0.771E-01
   0.171E-04 -.161E-04 -.179E+03   -.409E-13 -.260E-13 0.178E+03   -.198E-04 0.180E-04 0.925E+00
 -----------------------------------------------------------------------------------------------
   0.382E-04 -.488E-04 -.262E-02   -.971E-14 0.313E-14 0.000E+00   -.393E-04 0.535E-04 -.534E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000002     -0.123494
      0.00000      0.00000      2.33311        -0.000003     -0.000001      0.107566
      1.42873      0.82488      4.66621         0.000002     -0.000001      0.052459
      2.85746      1.64976      7.02232         0.000002      0.000003     -0.004879
      0.00000      0.00000      9.42644        -0.000002      0.000000     -0.031651
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000007     -0.008190


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90211274 eV

  energy  without entropy=      -13.89944726  energy(sigma->0) =      -13.90122425
 
 d Force =-0.4635871E-03[-0.167E-02, 0.742E-03]  d Energy =-0.2047166E-03-0.259E-03
 d Force = 0.1121411E+02[ 0.112E+02, 0.113E+02]  d Ewald  = 0.1121412E+02-0.135E-04


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


    POTLOK:  cpu time      1.9660: real time      1.9765


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.495E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  23.1067
 eigenvalue spectrum of G is 23.1067


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


    WAVPRE:  cpu time      0.0060: real time      0.0711
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9656: real time      1.9762
    EDDIAG:  cpu time    569.7505: real time    574.2569
    CHARGE:  cpu time      0.2643: real time      0.2661
 writing wavefunctions
     LOOP+:  cpu time  10793.9629: real time  10880.0670


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


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2372: real time      1.2424
    TRIAL :  cpu time    575.1185: real time    579.6216
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    577.3575: real time    581.8741

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2311182E-01  (-0.1026979E-01)
 number of electron      15.0000000 magnetization      -0.0000039
 augmentation part       -0.0016972 magnetization       0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -691.89617876
  -exchange      EXHF   =        33.21122207
  -V(xc)+E(xc)   XCENC  =       -83.56606257
  PAW double counting   =    100198.19716342  -100097.23663893
  entropy T*S    EENTRO =        -0.00315366
  eigenvalues    EBANDS =       -36.49524511
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87899474 eV

  energy without entropy =      -13.87584108  energy(sigma->0) =      -13.87794352
  exchange ACFDT corr.  =        -0.00349618  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7283
    SETDIJ:  cpu time      1.2331: real time      1.2382
    TRIAL :  cpu time    573.0195: real time    577.4851
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.2449: real time    579.7231

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8509370E-02  (-0.8511852E-02)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0016235 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -692.89607537
  -exchange      EXHF   =        33.21815094
  -V(xc)+E(xc)   XCENC  =       -83.56368439
  PAW double counting   =    100214.50295211  -100113.54257331
  entropy T*S    EENTRO =        -0.00318073
  eigenvalues    EBANDS =       -35.51296254
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88750411 eV

  energy without entropy =      -13.88432338  energy(sigma->0) =      -13.88644386
  exchange ACFDT corr.  =        -0.00359715  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7227: real time      0.7281
    SETDIJ:  cpu time      1.2326: real time      1.2377
    TRIAL :  cpu time    574.5123: real time    579.1200
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2644: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    576.7366: real time    581.3568

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6662787E-02  (-0.4806080E-02)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0015407 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.44477223
  -exchange      EXHF   =        33.22432658
  -V(xc)+E(xc)   XCENC  =       -83.56157459
  PAW double counting   =    100245.11013147  -100144.14974174
  entropy T*S    EENTRO =        -0.00318366
  eigenvalues    EBANDS =       -34.97919778
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89416690 eV

  energy without entropy =      -13.89098323  energy(sigma->0) =      -13.89310567
  exchange ACFDT corr.  =        -0.00358380  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7281
    SETDIJ:  cpu time      1.2447: real time      1.2498
    TRIAL :  cpu time    573.3913: real time    577.9325
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    575.6285: real time    580.1824

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3686277E-02  (-0.2542854E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0014625 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.39318427
  -exchange      EXHF   =        33.22730589
  -V(xc)+E(xc)   XCENC  =       -83.56057663
  PAW double counting   =    100288.75059470  -100187.79013238
  entropy T*S    EENTRO =        -0.00321461
  eigenvalues    EBANDS =       -35.03851894
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89785317 eV

  energy without entropy =      -13.89463856  energy(sigma->0) =      -13.89678163
  exchange ACFDT corr.  =        -0.00361101  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7282
    SETDIJ:  cpu time      1.2291: real time      1.2342
    TRIAL :  cpu time    574.4878: real time    579.0947
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    576.7095: real time    581.3291

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1993277E-02  (-0.1499204E-02)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0013940 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.28243956
  -exchange      EXHF   =        33.22807556
  -V(xc)+E(xc)   XCENC  =       -83.56033883
  PAW double counting   =    100341.53125144  -100240.57058222
  entropy T*S    EENTRO =        -0.00327782
  eigenvalues    EBANDS =       -35.15244035
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89984645 eV

  energy without entropy =      -13.89656863  energy(sigma->0) =      -13.89875384
  exchange ACFDT corr.  =        -0.00364021  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2289: real time      1.2340
    TRIAL :  cpu time    574.2232: real time    578.8073
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2646: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    576.4437: real time    581.0405

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1169469E-02  (-0.8010563E-03)
 number of electron      15.0000000 magnetization       0.0000011
 augmentation part       -0.0013366 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.31183042
  -exchange      EXHF   =        33.22775147
  -V(xc)+E(xc)   XCENC  =       -83.56046586
  PAW double counting   =    100399.47594954  -100298.51514338
  entropy T*S    EENTRO =        -0.00333340
  eigenvalues    EBANDS =       -35.12384157
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90101592 eV

  energy without entropy =      -13.89768252  energy(sigma->0) =      -13.89990478
  exchange ACFDT corr.  =        -0.00367721  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7289
    SETDIJ:  cpu time      1.2284: real time      1.2335
    TRIAL :  cpu time    574.0448: real time    578.5534
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    576.2663: real time    580.7875

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6100223E-03  (-0.4356940E-03)
 number of electron      15.0000000 magnetization       0.0000016
 augmentation part       -0.0012901 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.31662119
  -exchange      EXHF   =        33.22692150
  -V(xc)+E(xc)   XCENC  =       -83.56076509
  PAW double counting   =    100457.19423713  -100356.23330019
  entropy T*S    EENTRO =        -0.00336269
  eigenvalues    EBANDS =       -35.11860683
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90162594 eV

  energy without entropy =      -13.89826325  energy(sigma->0) =      -13.90050504
  exchange ACFDT corr.  =        -0.00370758  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7281
    SETDIJ:  cpu time      1.2281: real time      1.2331
    TRIAL :  cpu time    573.7083: real time    578.2903
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    575.9284: real time    580.5230

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3488783E-03  (-0.2747006E-03)
 number of electron      15.0000000 magnetization       0.0000019
 augmentation part       -0.0012529 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.22622181
  -exchange      EXHF   =        33.22615164
  -V(xc)+E(xc)   XCENC  =       -83.56106040
  PAW double counting   =    100512.85951313  -100411.89856155
  entropy T*S    EENTRO =        -0.00338086
  eigenvalues    EBANDS =       -35.20827527
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90197482 eV

  energy without entropy =      -13.89859396  energy(sigma->0) =      -13.90084786
  exchange ACFDT corr.  =        -0.00372532  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7287
    SETDIJ:  cpu time      1.2296: real time      1.2346
    TRIAL :  cpu time    573.4526: real time    577.9934
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    575.6751: real time    580.2284

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2238940E-03  (-0.1675825E-03)
 number of electron      15.0000000 magnetization       0.0000022
 augmentation part       -0.0012211 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.15496516
  -exchange      EXHF   =        33.22587175
  -V(xc)+E(xc)   XCENC  =       -83.56119670
  PAW double counting   =    100567.00282521  -100466.04187068
  entropy T*S    EENTRO =        -0.00340319
  eigenvalues    EBANDS =       -35.27932441
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90219871 eV

  energy without entropy =      -13.89879552  energy(sigma->0) =      -13.90106432
  exchange ACFDT corr.  =        -0.00373847  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7283
    SETDIJ:  cpu time      1.2353: real time      1.2404
    TRIAL :  cpu time    573.5089: real time    578.0790
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2648: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    575.7365: real time    580.3191

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1367620E-03  (-0.9402887E-04)
 number of electron      15.0000000 magnetization       0.0000023
 augmentation part       -0.0011933 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.17576253
  -exchange      EXHF   =        33.22609478
  -V(xc)+E(xc)   XCENC  =       -83.56114976
  PAW double counting   =    100621.56412957  -100520.60330688
  entropy T*S    EENTRO =        -0.00342777
  eigenvalues    EBANDS =       -35.25877959
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90233547 eV

  energy without entropy =      -13.89890771  energy(sigma->0) =      -13.90119289
  exchange ACFDT corr.  =        -0.00375370  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7283
    SETDIJ:  cpu time      1.2349: real time      1.2400
    TRIAL :  cpu time    573.4335: real time    577.9004
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.6611: real time    580.1405

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7528283E-04  (-0.4786691E-04)
 number of electron      15.0000000 magnetization       0.0000024
 augmentation part       -0.0011691 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.23228453
  -exchange      EXHF   =        33.22646937
  -V(xc)+E(xc)   XCENC  =       -83.56103769
  PAW double counting   =    100673.53434931  -100572.57361320
  entropy T*S    EENTRO =        -0.00344766
  eigenvalues    EBANDS =       -35.20270838
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90241076 eV

  energy without entropy =      -13.89896310  energy(sigma->0) =      -13.90126154
  exchange ACFDT corr.  =        -0.00376976  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7283
    SETDIJ:  cpu time      1.2314: real time      1.2365
    TRIAL :  cpu time    575.6066: real time    580.0755
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    577.8306: real time    582.3120

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3834111E-04  (-0.2487875E-04)
 number of electron      15.0000000 magnetization       0.0000024
 augmentation part       -0.0011489 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.25439525
  -exchange      EXHF   =        33.22669138
  -V(xc)+E(xc)   XCENC  =       -83.56097099
  PAW double counting   =    100720.00613975  -100619.04547129
  entropy T*S    EENTRO =        -0.00346259
  eigenvalues    EBANDS =       -35.18083716
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90244910 eV

  energy without entropy =      -13.89898651  energy(sigma->0) =      -13.90129490
  exchange ACFDT corr.  =        -0.00378317  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7229: real time      0.7284
    SETDIJ:  cpu time      1.2388: real time      1.2438
    TRIAL :  cpu time    574.0686: real time    578.6517
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    576.2997: real time    580.8953

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1983078E-04  (-0.1287038E-04)
 number of electron      15.0000000 magnetization       0.0000024
 augmentation part       -0.0011325 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.24237967
  -exchange      EXHF   =        33.22673019
  -V(xc)+E(xc)   XCENC  =       -83.56096333
  PAW double counting   =    100759.57727881  -100658.61658561
  entropy T*S    EENTRO =        -0.00347596
  eigenvalues    EBANDS =       -35.19292885
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90246893 eV

  energy without entropy =      -13.89899297  energy(sigma->0) =      -13.90131028
  exchange ACFDT corr.  =        -0.00379361  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  14)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7285
    SETDIJ:  cpu time      1.2256: real time      1.2307
    TRIAL :  cpu time    573.5685: real time    578.0513
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    575.7868: real time    580.2820

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1029522E-04  (-0.7284951E-05)
 number of electron      15.0000000 magnetization       0.0000024
 augmentation part       -0.0011194 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.23090508
  -exchange      EXHF   =        33.22669956
  -V(xc)+E(xc)   XCENC  =       -83.56097710
  PAW double counting   =    100793.20549467  -100692.24477589
  entropy T*S    EENTRO =        -0.00348861
  eigenvalues    EBANDS =       -35.20438155
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90247922 eV

  energy without entropy =      -13.89899061  energy(sigma->0) =      -13.90131635
  exchange ACFDT corr.  =        -0.00380261  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     13(  15)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7280
    SETDIJ:  cpu time      1.2342: real time      1.2393
    TRIAL :  cpu time    574.1521: real time    578.6584
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    572.0788: real time    576.6791
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1148.4575: real time   1157.5767

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5920796E-05  (-0.4402053E-05)
 number of electron      15.0000000 magnetization       0.0000023
 augmentation part       -0.0011096 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       395.32845788
  -Hartree energ DENC   =      -693.23217156
  -exchange      EXHF   =        33.22666614
  -V(xc)+E(xc)   XCENC  =       -83.56098769
  PAW double counting   =    100821.49341330  -100720.53270828
  entropy T*S    EENTRO =        -0.00349913
  eigenvalues    EBANDS =       -35.20305960
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90248515 eV

  energy without entropy =      -13.89898601  energy(sigma->0) =      -13.90131877
  exchange ACFDT corr.  =        -0.00381076  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.1166


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8845       2 -69.7794       3 -69.7942       4 -69.7968       5 -69.9098
 
 
 
 E-fermi :   3.1550     XC(G=0):  -5.1243     alpha+bet : -8.9779

 Fermi energy:         3.1550175021

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8667      1.00000
      2      -9.9809      1.00000
      3      -8.6181      1.00000
      4      -6.7586      1.00000
      5      -4.3594      1.00000
      6      -1.6013      1.00000
      7       1.5714      1.00000
      8       4.6046     -0.00000
      9       5.4112     -0.00000
     10       7.9238     -0.00000
     11       7.9755     -0.00000
     12      11.8886      0.00000
     13      12.1712      0.00000
     14      16.0892      0.00000
     15      16.1068      0.00000
     16      16.1486      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6581      1.00000
      2      -9.7718      1.00000
      3      -8.4079      1.00000
      4      -6.5466      1.00000
      5      -4.1433      1.00000
      6      -1.3911      1.00000
      7       1.7852      1.00000
      8       4.7876     -0.00000
      9       5.5856     -0.00000
     10       8.0919     -0.00000
     11       8.1407     -0.00000
     12      12.0189      0.00000
     13      12.2697      0.00000
     14      13.1411      0.00000
     15      13.8614      0.00000
     16      14.3502      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6581      1.00000
      2      -9.7718      1.00000
      3      -8.4079      1.00000
      4      -6.5466      1.00000
      5      -4.1433      1.00000
      6      -1.3911      1.00000
      7       1.7852      1.00000
      8       4.7876     -0.00000
      9       5.5856     -0.00000
     10       8.0919     -0.00000
     11       8.1407     -0.00000
     12      12.0189      0.00000
     13      12.2697      0.00000
     14      13.1411      0.00000
     15      13.8614      0.00000
     16      14.3647      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6581      1.00000
      2      -9.7718      1.00000
      3      -8.4079      1.00000
      4      -6.5466      1.00000
      5      -4.1433      1.00000
      6      -1.3911      1.00000
      7       1.7852      1.00000
      8       4.7876     -0.00000
      9       5.5856     -0.00000
     10       8.0919     -0.00000
     11       8.1407     -0.00000
     12      12.0189      0.00000
     13      12.2697      0.00000
     14      13.1411      0.00000
     15      13.8614      0.00000
     16      14.3499      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0323      1.00000
      2      -9.1442      1.00000
      3      -7.7770      1.00000
      4      -5.9106      1.00000
      5      -3.4961      1.00000
      6      -0.7613      1.00000
      7       2.4132      1.00000
      8       5.3200     -0.00000
      9       6.1037     -0.00000
     10       8.4784     -0.00000
     11       8.6189      0.00000
     12       9.7463      0.00000
     13      10.2840      0.00000
     14      11.3784      0.00000
     15      12.4966      0.00000
     16      12.7694      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0323      1.00000
      2      -9.1442      1.00000
      3      -7.7770      1.00000
      4      -5.9106      1.00000
      5      -3.4961      1.00000
      6      -0.7613      1.00000
      7       2.4132      1.00000
      8       5.3200     -0.00000
      9       6.1037     -0.00000
     10       8.4784     -0.00000
     11       8.6189      0.00000
     12       9.7463      0.00000
     13      10.2840      0.00000
     14      11.3784      0.00000
     15      12.4981      0.00000
     16      12.7887      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0323      1.00000
      2      -9.1442      1.00000
      3      -7.7770      1.00000
      4      -5.9106      1.00000
      5      -3.4961      1.00000
      6      -0.7613      1.00000
      7       2.4132      1.00000
      8       5.3200     -0.00000
      9       6.1037     -0.00000
     10       8.4784     -0.00000
     11       8.6189      0.00000
     12       9.7463      0.00000
     13      10.2840      0.00000
     14      11.3784      0.00000
     15      12.4996      0.00000
     16      12.8171      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9886      1.00000
      2      -8.0971      1.00000
      3      -6.7243      1.00000
      4      -4.8505      1.00000
      5      -2.4233      1.00000
      6       0.2779      1.00000
      7       3.3780     -0.03299
      8       5.6534     -0.00000
      9       6.5405     -0.00000
     10       6.8706     -0.00000
     11       7.0520     -0.00000
     12       8.0680     -0.00000
     13       9.4019      0.00000
     14       9.5760      0.00000
     15       9.7997      0.00000
     16      11.5751      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9886      1.00000
      2      -8.0971      1.00000
      3      -6.7243      1.00000
      4      -4.8505      1.00000
      5      -2.4233      1.00000
      6       0.2779      1.00000
      7       3.3780     -0.03299
      8       5.6534     -0.00000
      9       6.5405     -0.00000
     10       6.8706     -0.00000
     11       7.0520     -0.00000
     12       8.0680     -0.00000
     13       9.4019      0.00000
     14       9.5760      0.00000
     15       9.7997      0.00000
     16      11.5789      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9886      1.00000
      2      -8.0971      1.00000
      3      -6.7243      1.00000
      4      -4.8505      1.00000
      5      -2.4233      1.00000
      6       0.2779      1.00000
      7       3.3780     -0.03299
      8       5.6534     -0.00000
      9       6.5405     -0.00000
     10       6.8706     -0.00000
     11       7.0520     -0.00000
     12       8.0680     -0.00000
     13       9.4019      0.00000
     14       9.5760      0.00000
     15       9.7997      0.00000
     16      11.5914      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5249      1.00000
      2      -6.6281      1.00000
      3      -5.2483      1.00000
      4      -3.3702      1.00000
      5      -0.9553      1.00000
      6       1.5750      1.00000
      7       2.5716      1.00015
      8       3.5333     -0.01126
      9       4.8005     -0.00000
     10       5.1000     -0.00000
     11       6.5291     -0.00000
     12       7.6311     -0.00000
     13       8.2126     -0.00000
     14       8.6929      0.00000
     15      10.5113      0.00000
     16      10.8173      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5249      1.00000
      2      -6.6281      1.00000
      3      -5.2483      1.00000
      4      -3.3702      1.00000
      5      -0.9553      1.00000
      6       1.5750      1.00000
      7       2.5716      1.00015
      8       3.5333     -0.01126
      9       4.8005     -0.00000
     10       5.1000     -0.00000
     11       6.5291     -0.00000
     12       7.6311     -0.00000
     13       8.2126     -0.00000
     14       8.6929      0.00000
     15      10.5113      0.00000
     16      10.8163      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5249      1.00000
      2      -6.6281      1.00000
      3      -5.2483      1.00000
      4      -3.3702      1.00000
      5      -0.9553      1.00000
      6       1.5750      1.00000
      7       2.5716      1.00015
      8       3.5333     -0.01126
      9       4.8005     -0.00000
     10       5.1000     -0.00000
     11       6.5291     -0.00000
     12       7.6312     -0.00000
     13       8.2126     -0.00000
     14       8.6929      0.00000
     15      10.5112      0.00000
     16      10.8165      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6374      1.00000
      2      -4.7349      1.00000
      3      -3.3540      1.00000
      4      -1.5155      1.00000
      5      -0.6379      1.00000
      6       0.1223      1.00000
      7       1.1068      1.00000
      8       2.0150      1.00000
      9       3.6510     -0.00127
     10       3.7388     -0.00015
     11       5.9152     -0.00000
     12       6.6742     -0.00000
     13       8.2264     -0.00000
     14       9.1794      0.00000
     15       9.7535      0.00000
     16      10.5752      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6374      1.00000
      2      -4.7349      1.00000
      3      -3.3540      1.00000
      4      -1.5155      1.00000
      5      -0.6379      1.00000
      6       0.1223      1.00000
      7       1.1068      1.00000
      8       2.0150      1.00000
      9       3.6510     -0.00127
     10       3.7388     -0.00015
     11       5.9152     -0.00000
     12       6.6742     -0.00000
     13       8.2264     -0.00000
     14       9.1794      0.00000
     15       9.7534      0.00000
     16      10.4295      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6374      1.00000
      2      -4.7349      1.00000
      3      -3.3540      1.00000
      4      -1.5155      1.00000
      5      -0.6379      1.00000
      6       0.1223      1.00000
      7       1.1068      1.00000
      8       2.0150      1.00000
      9       3.6510     -0.00127
     10       3.7388     -0.00015
     11       5.9152     -0.00000
     12       6.6742     -0.00000
     13       8.2264     -0.00000
     14       9.1794      0.00000
     15       9.7534      0.00000
     16      10.4513      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3381      1.00000
      2      -3.3149      1.00000
      3      -2.4390      1.00000
      4      -2.4221      1.00000
      5      -1.2895      1.00000
      6      -0.8971      1.00000
      7       0.6468      1.00000
      8       1.3850      1.00000
      9       3.3686     -0.03064
     10       3.5016     -0.01737
     11       5.6724     -0.00000
     12       6.0086     -0.00000
     13       8.3731     -0.00000
     14       8.8391      0.00000
     15      10.2600      0.00000
     16      10.5339      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3381      1.00000
      2      -3.3149      1.00000
      3      -2.4390      1.00000
      4      -2.4221      1.00000
      5      -1.2895      1.00000
      6      -0.8971      1.00000
      7       0.6468      1.00000
      8       1.3850      1.00000
      9       3.3686     -0.03065
     10       3.5016     -0.01738
     11       5.6724     -0.00000
     12       6.0086     -0.00000
     13       8.3731     -0.00000
     14       8.8391      0.00000
     15      10.2599      0.00000
     16      10.5353      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3381      1.00000
      2      -3.3149      1.00000
      3      -2.4390      1.00000
      4      -2.4221      1.00000
      5      -1.2895      1.00000
      6      -0.8971      1.00000
      7       0.6468      1.00000
      8       1.3850      1.00000
      9       3.3686     -0.03064
     10       3.5016     -0.01737
     11       5.6724     -0.00000
     12       6.0086     -0.00000
     13       8.3731     -0.00000
     14       8.8391      0.00000
     15      10.2599      0.00000
     16      10.5337      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2409      1.00000
      2      -9.3534      1.00000
      3      -7.9873      1.00000
      4      -6.1226      1.00000
      5      -3.7117      1.00000
      6      -0.9710      1.00000
      7       2.2065      1.00000
      8       5.1469     -0.00000
      9       5.9324     -0.00000
     10       8.4174     -0.00000
     11       8.4502     -0.00000
     12      11.4532      0.00000
     13      11.4690      0.00000
     14      11.8934      0.00000
     15      12.0179      0.00000
     16      12.6432      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2409      1.00000
      2      -9.3534      1.00000
      3      -7.9873      1.00000
      4      -6.1226      1.00000
      5      -3.7117      1.00000
      6      -0.9710      1.00000
      7       2.2065      1.00000
      8       5.1469     -0.00000
      9       5.9324     -0.00000
     10       8.4174     -0.00000
     11       8.4502     -0.00000
     12      11.4532      0.00000
     13      11.4692      0.00000
     14      11.8936      0.00000
     15      12.0178      0.00000
     16      12.6345      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2409      1.00000
      2      -9.3534      1.00000
      3      -7.9873      1.00000
      4      -6.1226      1.00000
      5      -3.7117      1.00000
      6      -0.9710      1.00000
      7       2.2065      1.00000
      8       5.1469     -0.00000
      9       5.9324     -0.00000
     10       8.4174     -0.00000
     11       8.4502     -0.00000
     12      11.4532      0.00000
     13      11.4689      0.00000
     14      11.8936      0.00000
     15      12.0184      0.00000
     16      12.6458      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96140
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7296      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96140
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7296      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96140
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7296      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96140
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7296      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96140
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7297      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96140
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7295      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0907      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0229      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9212      0.00000
     15       9.6038      0.00000
     16      10.2292      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9214      0.00000
     15       9.6025      0.00000
     16      10.2193      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0311      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9212      0.00000
     15       9.6403      0.00000
     16      10.1134      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00457
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1284      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00458
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1284      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00458
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1281      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00457
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1283      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00458
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1285      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00458
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0992      0.00000
     16       9.1282      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6855      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6907      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6870      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6842      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6841      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6883      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3620      1.00000
      2      -7.4682      1.00000
      3      -6.0921      1.00000
      4      -4.2149      1.00000
      5      -1.7849      1.00000
      6       0.8931      1.00000
      7       3.9232     -0.00000
      8       6.0279     -0.00000
      9       6.5163     -0.00000
     10       7.2401     -0.00000
     11       7.3180     -0.00000
     12       7.4916     -0.00000
     13       7.6018     -0.00000
     14       8.3801     -0.00000
     15       8.7457      0.00000
     16      10.0469      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3620      1.00000
      2      -7.4682      1.00000
      3      -6.0921      1.00000
      4      -4.2149      1.00000
      5      -1.7849      1.00000
      6       0.8931      1.00000
      7       3.9232     -0.00000
      8       6.0279     -0.00000
      9       6.5163     -0.00000
     10       7.2401     -0.00000
     11       7.3180     -0.00000
     12       7.4916     -0.00000
     13       7.6018     -0.00000
     14       8.3801     -0.00000
     15       8.7457      0.00000
     16      10.0575      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3620      1.00000
      2      -7.4682      1.00000
      3      -6.0921      1.00000
      4      -4.2149      1.00000
      5      -1.7849      1.00000
      6       0.8931      1.00000
      7       3.9232     -0.00000
      8       6.0279     -0.00000
      9       6.5163     -0.00000
     10       7.2401     -0.00000
     11       7.3180     -0.00000
     12       7.4916     -0.00000
     13       7.6018     -0.00000
     14       8.3801     -0.00000
     15       8.7457      0.00000
     16      10.0560      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47739
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7563      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47738
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7567      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47736
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.4000     -0.00000
     16       8.7564      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47738
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.4000     -0.00000
     16       8.7564      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47737
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7568      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47738
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7562      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8371      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8895     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8397      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8430      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8895     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8557      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8763      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8717      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7121      1.00000
      2      -2.6888      1.00000
      3      -1.8104      1.00000
      4      -1.8044      1.00000
      5      -0.6751      1.00000
      6      -0.2836      1.00000
      7       1.2477      1.00000
      8       1.9771      1.00000
      9       3.7619     -0.00008
     10       3.8934     -0.00000
     11       4.7328     -0.00000
     12       5.7595     -0.00000
     13       6.3923     -0.00000
     14       6.7453     -0.00000
     15       7.1272     -0.00000
     16       8.7119      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7121      1.00000
      2      -2.6888      1.00000
      3      -1.8104      1.00000
      4      -1.8044      1.00000
      5      -0.6751      1.00000
      6      -0.2836      1.00000
      7       1.2477      1.00000
      8       1.9771      1.00000
      9       3.7619     -0.00008
     10       3.8934     -0.00000
     11       4.7328     -0.00000
     12       5.7595     -0.00000
     13       6.3923     -0.00000
     14       6.7453     -0.00000
     15       7.1272     -0.00000
     16       8.6968      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7121      1.00000
      2      -2.6888      1.00000
      3      -1.8104      1.00000
      4      -1.8044      1.00000
      5      -0.6751      1.00000
      6      -0.2836      1.00000
      7       1.2477      1.00000
      8       1.9771      1.00000
      9       3.7619     -0.00008
     10       3.8934     -0.00000
     11       4.7328     -0.00000
     12       5.7595     -0.00000
     13       6.3923     -0.00000
     14       6.7453     -0.00000
     15       7.1272     -0.00000
     16       8.6951      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2199      1.00000
      2      -4.3166      1.00000
      3      -2.9335      1.00000
      4      -1.0792      1.00000
      5       1.1374      1.00000
      6       2.1263      1.00000
      7       2.2908      1.00000
      8       3.0002      0.98360
      9       3.4471     -0.02947
     10       4.2301     -0.00000
     11       4.4851     -0.00000
     12       4.8571     -0.00000
     13       6.2160     -0.00000
     14       6.8517     -0.00000
     15       7.2177     -0.00000
     16       8.6704      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2199      1.00000
      2      -4.3166      1.00000
      3      -2.9335      1.00000
      4      -1.0792      1.00000
      5       1.1374      1.00000
      6       2.1263      1.00000
      7       2.2908      1.00000
      8       3.0002      0.98359
      9       3.4471     -0.02947
     10       4.2301     -0.00000
     11       4.4852     -0.00000
     12       4.8571     -0.00000
     13       6.2160     -0.00000
     14       6.8517     -0.00000
     15       7.2177     -0.00000
     16       8.6761      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2199      1.00000
      2      -4.3166      1.00000
      3      -2.9335      1.00000
      4      -1.0792      1.00000
      5       1.1374      1.00000
      6       2.1263      1.00000
      7       2.2908      1.00000
      8       3.0002      0.98358
      9       3.4471     -0.02946
     10       4.2301     -0.00000
     11       4.4851     -0.00000
     12       4.8571     -0.00000
     13       6.2160     -0.00000
     14       6.8517     -0.00000
     15       7.2177     -0.00000
     16       8.6784      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37521
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2138     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37524
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2278     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37524
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2198     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37520
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2198     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37521
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2185     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37536
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.3748     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8496      1.00000
      2      -0.8309      1.00000
      3      -0.8046      1.00000
      4      -0.0058      1.00000
      5       0.0548      1.00000
      6       0.0745      1.00000
      7       1.0971      1.00000
      8       1.1025      1.00000
      9       1.7982      1.00000
     10       2.6901      1.00244
     11       4.0848     -0.00000
     12       4.1124     -0.00000
     13       5.9538     -0.00000
     14       5.9874     -0.00000
     15       6.0310     -0.00000
     16       8.0102     -0.00000
 Fermi energy:         3.1550175021

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8667      1.00000
      2      -9.9809      1.00000
      3      -8.6181      1.00000
      4      -6.7586      1.00000
      5      -4.3594      1.00000
      6      -1.6013      1.00000
      7       1.5714      1.00000
      8       4.6046     -0.00000
      9       5.4112     -0.00000
     10       7.9238     -0.00000
     11       7.9755     -0.00000
     12      11.8886      0.00000
     13      12.1712      0.00000
     14      16.0878      0.00000
     15      16.1297      0.00000
     16      16.2453      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6581      1.00000
      2      -9.7718      1.00000
      3      -8.4079      1.00000
      4      -6.5466      1.00000
      5      -4.1433      1.00000
      6      -1.3911      1.00000
      7       1.7852      1.00000
      8       4.7876     -0.00000
      9       5.5856     -0.00000
     10       8.0919     -0.00000
     11       8.1407     -0.00000
     12      12.0189      0.00000
     13      12.2697      0.00000
     14      13.1411      0.00000
     15      13.8614      0.00000
     16      14.3485      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6581      1.00000
      2      -9.7718      1.00000
      3      -8.4079      1.00000
      4      -6.5466      1.00000
      5      -4.1433      1.00000
      6      -1.3911      1.00000
      7       1.7852      1.00000
      8       4.7876     -0.00000
      9       5.5856     -0.00000
     10       8.0919     -0.00000
     11       8.1407     -0.00000
     12      12.0189      0.00000
     13      12.2697      0.00000
     14      13.1411      0.00000
     15      13.8614      0.00000
     16      14.3483      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6581      1.00000
      2      -9.7718      1.00000
      3      -8.4079      1.00000
      4      -6.5466      1.00000
      5      -4.1433      1.00000
      6      -1.3911      1.00000
      7       1.7852      1.00000
      8       4.7876     -0.00000
      9       5.5856     -0.00000
     10       8.0919     -0.00000
     11       8.1407     -0.00000
     12      12.0189      0.00000
     13      12.2697      0.00000
     14      13.1411      0.00000
     15      13.8614      0.00000
     16      14.3494      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0323      1.00000
      2      -9.1442      1.00000
      3      -7.7770      1.00000
      4      -5.9106      1.00000
      5      -3.4961      1.00000
      6      -0.7613      1.00000
      7       2.4132      1.00000
      8       5.3200     -0.00000
      9       6.1037     -0.00000
     10       8.4784     -0.00000
     11       8.6189      0.00000
     12       9.7463      0.00000
     13      10.2840      0.00000
     14      11.3784      0.00000
     15      12.5016      0.00000
     16      12.8227      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0323      1.00000
      2      -9.1442      1.00000
      3      -7.7770      1.00000
      4      -5.9106      1.00000
      5      -3.4961      1.00000
      6      -0.7613      1.00000
      7       2.4132      1.00000
      8       5.3200     -0.00000
      9       6.1037     -0.00000
     10       8.4784     -0.00000
     11       8.6189      0.00000
     12       9.7463      0.00000
     13      10.2840      0.00000
     14      11.3784      0.00000
     15      12.4967      0.00000
     16      12.7684      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0323      1.00000
      2      -9.1442      1.00000
      3      -7.7770      1.00000
      4      -5.9106      1.00000
      5      -3.4961      1.00000
      6      -0.7613      1.00000
      7       2.4132      1.00000
      8       5.3200     -0.00000
      9       6.1037     -0.00000
     10       8.4784     -0.00000
     11       8.6189      0.00000
     12       9.7463      0.00000
     13      10.2840      0.00000
     14      11.3784      0.00000
     15      12.4988      0.00000
     16      12.7982      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9886      1.00000
      2      -8.0971      1.00000
      3      -6.7243      1.00000
      4      -4.8505      1.00000
      5      -2.4233      1.00000
      6       0.2779      1.00000
      7       3.3780     -0.03299
      8       5.6534     -0.00000
      9       6.5405     -0.00000
     10       6.8706     -0.00000
     11       7.0520     -0.00000
     12       8.0680     -0.00000
     13       9.4019      0.00000
     14       9.5760      0.00000
     15       9.7997      0.00000
     16      11.5762      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9886      1.00000
      2      -8.0971      1.00000
      3      -6.7243      1.00000
      4      -4.8505      1.00000
      5      -2.4233      1.00000
      6       0.2779      1.00000
      7       3.3780     -0.03299
      8       5.6534     -0.00000
      9       6.5405     -0.00000
     10       6.8706     -0.00000
     11       7.0520     -0.00000
     12       8.0680     -0.00000
     13       9.4019      0.00000
     14       9.5760      0.00000
     15       9.7997      0.00000
     16      11.5885      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9886      1.00000
      2      -8.0971      1.00000
      3      -6.7243      1.00000
      4      -4.8505      1.00000
      5      -2.4233      1.00000
      6       0.2779      1.00000
      7       3.3780     -0.03299
      8       5.6534     -0.00000
      9       6.5405     -0.00000
     10       6.8706     -0.00000
     11       7.0520     -0.00000
     12       8.0680     -0.00000
     13       9.4019      0.00000
     14       9.5760      0.00000
     15       9.7997      0.00000
     16      11.5805      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5249      1.00000
      2      -6.6281      1.00000
      3      -5.2483      1.00000
      4      -3.3702      1.00000
      5      -0.9553      1.00000
      6       1.5750      1.00000
      7       2.5716      1.00015
      8       3.5333     -0.01126
      9       4.8005     -0.00000
     10       5.1000     -0.00000
     11       6.5291     -0.00000
     12       7.6312     -0.00000
     13       8.2126     -0.00000
     14       8.6929      0.00000
     15      10.5110      0.00000
     16      10.8169      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5249      1.00000
      2      -6.6281      1.00000
      3      -5.2483      1.00000
      4      -3.3702      1.00000
      5      -0.9553      1.00000
      6       1.5750      1.00000
      7       2.5716      1.00015
      8       3.5333     -0.01126
      9       4.8005     -0.00000
     10       5.1000     -0.00000
     11       6.5291     -0.00000
     12       7.6311     -0.00000
     13       8.2126     -0.00000
     14       8.6929      0.00000
     15      10.5121      0.00000
     16      10.8190      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5249      1.00000
      2      -6.6281      1.00000
      3      -5.2483      1.00000
      4      -3.3702      1.00000
      5      -0.9553      1.00000
      6       1.5750      1.00000
      7       2.5716      1.00015
      8       3.5333     -0.01126
      9       4.8005     -0.00000
     10       5.1000     -0.00000
     11       6.5291     -0.00000
     12       7.6312     -0.00000
     13       8.2126     -0.00000
     14       8.6929      0.00000
     15      10.5118      0.00000
     16      10.8190      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6374      1.00000
      2      -4.7349      1.00000
      3      -3.3540      1.00000
      4      -1.5155      1.00000
      5      -0.6379      1.00000
      6       0.1223      1.00000
      7       1.1068      1.00000
      8       2.0150      1.00000
      9       3.6510     -0.00127
     10       3.7388     -0.00015
     11       5.9152     -0.00000
     12       6.6742     -0.00000
     13       8.2264     -0.00000
     14       9.1794      0.00000
     15       9.7534      0.00000
     16      10.4596      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6374      1.00000
      2      -4.7349      1.00000
      3      -3.3540      1.00000
      4      -1.5155      1.00000
      5      -0.6379      1.00000
      6       0.1223      1.00000
      7       1.1068      1.00000
      8       2.0150      1.00000
      9       3.6510     -0.00127
     10       3.7388     -0.00015
     11       5.9152     -0.00000
     12       6.6742     -0.00000
     13       8.2264     -0.00000
     14       9.1794      0.00000
     15       9.7534      0.00000
     16      10.4952      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6374      1.00000
      2      -4.7349      1.00000
      3      -3.3540      1.00000
      4      -1.5155      1.00000
      5      -0.6379      1.00000
      6       0.1223      1.00000
      7       1.1068      1.00000
      8       2.0150      1.00000
      9       3.6510     -0.00127
     10       3.7388     -0.00015
     11       5.9152     -0.00000
     12       6.6742     -0.00000
     13       8.2264     -0.00000
     14       9.1794      0.00000
     15       9.7535      0.00000
     16      10.5025      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3381      1.00000
      2      -3.3149      1.00000
      3      -2.4390      1.00000
      4      -2.4221      1.00000
      5      -1.2895      1.00000
      6      -0.8971      1.00000
      7       0.6468      1.00000
      8       1.3850      1.00000
      9       3.3686     -0.03064
     10       3.5016     -0.01738
     11       5.6724     -0.00000
     12       6.0086     -0.00000
     13       8.3731     -0.00000
     14       8.8390      0.00000
     15      10.2602      0.00000
     16      10.5386      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3381      1.00000
      2      -3.3149      1.00000
      3      -2.4390      1.00000
      4      -2.4221      1.00000
      5      -1.2895      1.00000
      6      -0.8971      1.00000
      7       0.6468      1.00000
      8       1.3850      1.00000
      9       3.3686     -0.03064
     10       3.5016     -0.01737
     11       5.6724     -0.00000
     12       6.0086     -0.00000
     13       8.3731     -0.00000
     14       8.8390      0.00000
     15      10.2600      0.00000
     16      10.5345      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3381      1.00000
      2      -3.3149      1.00000
      3      -2.4390      1.00000
      4      -2.4221      1.00000
      5      -1.2895      1.00000
      6      -0.8971      1.00000
      7       0.6468      1.00000
      8       1.3850      1.00000
      9       3.3686     -0.03064
     10       3.5016     -0.01737
     11       5.6724     -0.00000
     12       6.0086     -0.00000
     13       8.3731     -0.00000
     14       8.8390      0.00000
     15      10.2603      0.00000
     16      10.5339      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2409      1.00000
      2      -9.3534      1.00000
      3      -7.9873      1.00000
      4      -6.1226      1.00000
      5      -3.7117      1.00000
      6      -0.9710      1.00000
      7       2.2065      1.00000
      8       5.1469     -0.00000
      9       5.9324     -0.00000
     10       8.4174     -0.00000
     11       8.4502     -0.00000
     12      11.4532      0.00000
     13      11.4689      0.00000
     14      11.8935      0.00000
     15      12.0181      0.00000
     16      12.6390      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2409      1.00000
      2      -9.3534      1.00000
      3      -7.9873      1.00000
      4      -6.1226      1.00000
      5      -3.7117      1.00000
      6      -0.9710      1.00000
      7       2.2065      1.00000
      8       5.1469     -0.00000
      9       5.9324     -0.00000
     10       8.4174     -0.00000
     11       8.4502     -0.00000
     12      11.4532      0.00000
     13      11.4689      0.00000
     14      11.8936      0.00000
     15      12.0184      0.00000
     16      12.6302      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2409      1.00000
      2      -9.3534      1.00000
      3      -7.9873      1.00000
      4      -6.1226      1.00000
      5      -3.7117      1.00000
      6      -0.9710      1.00000
      7       2.2065      1.00000
      8       5.1469     -0.00000
      9       5.9324     -0.00000
     10       8.4174     -0.00000
     11       8.4502     -0.00000
     12      11.4532      0.00000
     13      11.4689      0.00000
     14      11.8933      0.00000
     15      12.0232      0.00000
     16      12.6895      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96141
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7295      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96141
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7296      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96141
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7295      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96141
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7295      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96141
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7295      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4062      1.00000
      2      -8.5161      1.00000
      3      -7.1456      1.00000
      4      -5.2745      1.00000
      5      -2.8512      1.00000
      6      -0.1348      1.00000
      7       3.0157      0.96141
      8       5.8018     -0.00000
      9       6.6017     -0.00000
     10       7.8826     -0.00000
     11       8.5910     -0.00000
     12       9.0024      0.00000
     13       9.4194      0.00000
     14       9.8363      0.00000
     15      10.1981      0.00000
     16      10.7295      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0264      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6022      0.00000
     16      10.0914      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0516      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0509      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6035      0.00000
     16      10.2622      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1528      1.00000
      2      -7.2583      1.00000
      3      -5.8812      1.00000
      4      -4.0034      1.00000
      5      -1.5750      1.00000
      6       1.0854      1.00000
      7       3.8078     -0.00002
      8       4.6825     -0.00000
      9       5.4051     -0.00000
     10       6.5122     -0.00000
     11       7.0712     -0.00000
     12       7.6970     -0.00000
     13       8.1859     -0.00000
     14       8.9211      0.00000
     15       9.6019      0.00000
     16      10.0925      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00458
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0992      0.00000
     16       9.1284      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00457
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1284      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00457
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0992      0.00000
     16       9.1282      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00458
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1282      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00457
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1282      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4775      1.00000
      2      -5.5771      1.00000
      3      -4.1943      1.00000
      4      -2.3228      1.00000
      5       0.0002      1.00000
      6       1.0276      1.00000
      7       1.9864      1.00000
      8       2.9828      1.00457
      9       3.5251     -0.01269
     10       5.1998     -0.00000
     11       5.8720     -0.00000
     12       7.3138     -0.00000
     13       7.9863     -0.00000
     14       8.6457      0.00000
     15       9.0991      0.00000
     16       9.1282      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6842      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6857      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6855      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6842      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6841      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3771      1.00000
      2      -3.4746      1.00000
      3      -2.1101      1.00000
      4      -1.8642      1.00000
      5      -1.0300      1.00000
      6      -0.3541      1.00000
      7       0.6468      1.00000
      8       2.2850      1.00000
      9       2.6547      1.00113
     10       4.7172     -0.00000
     11       4.8978     -0.00000
     12       7.0260     -0.00000
     13       7.4823     -0.00000
     14       8.0151     -0.00000
     15       8.8361      0.00000
     16       9.6894      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3620      1.00000
      2      -7.4682      1.00000
      3      -6.0921      1.00000
      4      -4.2149      1.00000
      5      -1.7849      1.00000
      6       0.8931      1.00000
      7       3.9232     -0.00000
      8       6.0279     -0.00000
      9       6.5163     -0.00000
     10       7.2401     -0.00000
     11       7.3180     -0.00000
     12       7.4916     -0.00000
     13       7.6018     -0.00000
     14       8.3801     -0.00000
     15       8.7457      0.00000
     16      10.0505      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3620      1.00000
      2      -7.4682      1.00000
      3      -6.0921      1.00000
      4      -4.2149      1.00000
      5      -1.7849      1.00000
      6       0.8931      1.00000
      7       3.9232     -0.00000
      8       6.0279     -0.00000
      9       6.5163     -0.00000
     10       7.2401     -0.00000
     11       7.3180     -0.00000
     12       7.4916     -0.00000
     13       7.6018     -0.00000
     14       8.3801     -0.00000
     15       8.7457      0.00000
     16      10.0471      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3620      1.00000
      2      -7.4682      1.00000
      3      -6.0921      1.00000
      4      -4.2149      1.00000
      5      -1.7849      1.00000
      6       0.8931      1.00000
      7       3.9232     -0.00000
      8       6.0279     -0.00000
      9       6.5163     -0.00000
     10       7.2401     -0.00000
     11       7.3180     -0.00000
     12       7.4916     -0.00000
     13       7.6018     -0.00000
     14       8.3801     -0.00000
     15       8.7457      0.00000
     16      10.0548      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47738
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.4000     -0.00000
     16       8.7562      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47739
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.4000     -0.00000
     16       8.7564      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47739
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7565      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47738
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7565      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47739
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.4000     -0.00000
     16       8.7563      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8975      1.00000
      2      -5.9984      1.00000
      3      -4.6161      1.00000
      4      -2.7380      1.00000
      5      -0.3345      1.00000
      6       2.1608      1.00000
      7       3.1608      0.47740
      8       4.1084     -0.00000
      9       5.0934     -0.00000
     10       5.3625     -0.00000
     11       5.9046     -0.00000
     12       6.4784     -0.00000
     13       7.0167     -0.00000
     14       7.7604     -0.00000
     15       8.3999     -0.00000
     16       8.7567      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8363      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8269      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8895     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8404      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8895     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8428      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8577      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0091      1.00000
      2      -4.1056      1.00000
      3      -2.7254      1.00000
      4      -0.8971      1.00000
      5      -0.0213      1.00000
      6       0.7243      1.00000
      7       1.6984      1.00000
      8       2.5880      1.00022
      9       4.0747     -0.00000
     10       4.2715     -0.00000
     11       4.8894     -0.00000
     12       5.7316     -0.00000
     13       6.6157     -0.00000
     14       7.3910     -0.00000
     15       7.4914     -0.00000
     16       8.8616      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7121      1.00000
      2      -2.6888      1.00000
      3      -1.8104      1.00000
      4      -1.8044      1.00000
      5      -0.6751      1.00000
      6      -0.2836      1.00000
      7       1.2477      1.00000
      8       1.9771      1.00000
      9       3.7619     -0.00008
     10       3.8934     -0.00000
     11       4.7328     -0.00000
     12       5.7595     -0.00000
     13       6.3923     -0.00000
     14       6.7453     -0.00000
     15       7.1272     -0.00000
     16       8.6790      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7121      1.00000
      2      -2.6888      1.00000
      3      -1.8104      1.00000
      4      -1.8044      1.00000
      5      -0.6751      1.00000
      6      -0.2836      1.00000
      7       1.2477      1.00000
      8       1.9771      1.00000
      9       3.7619     -0.00008
     10       3.8934     -0.00000
     11       4.7328     -0.00000
     12       5.7595     -0.00000
     13       6.3923     -0.00000
     14       6.7453     -0.00000
     15       7.1272     -0.00000
     16       8.6783      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7121      1.00000
      2      -2.6888      1.00000
      3      -1.8104      1.00000
      4      -1.8044      1.00000
      5      -0.6751      1.00000
      6      -0.2836      1.00000
      7       1.2477      1.00000
      8       1.9771      1.00000
      9       3.7619     -0.00008
     10       3.8934     -0.00000
     11       4.7328     -0.00000
     12       5.7595     -0.00000
     13       6.3923     -0.00000
     14       6.7453     -0.00000
     15       7.1272     -0.00000
     16       8.6864      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2199      1.00000
      2      -4.3166      1.00000
      3      -2.9335      1.00000
      4      -1.0792      1.00000
      5       1.1374      1.00000
      6       2.1263      1.00000
      7       2.2908      1.00000
      8       3.0002      0.98358
      9       3.4471     -0.02947
     10       4.2301     -0.00000
     11       4.4851     -0.00000
     12       4.8571     -0.00000
     13       6.2160     -0.00000
     14       6.8517     -0.00000
     15       7.2177     -0.00000
     16       8.6730      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2199      1.00000
      2      -4.3166      1.00000
      3      -2.9335      1.00000
      4      -1.0792      1.00000
      5       1.1374      1.00000
      6       2.1263      1.00000
      7       2.2908      1.00000
      8       3.0002      0.98358
      9       3.4471     -0.02947
     10       4.2301     -0.00000
     11       4.4851     -0.00000
     12       4.8571     -0.00000
     13       6.2160     -0.00000
     14       6.8517     -0.00000
     15       7.2177     -0.00000
     16       8.6706      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2199      1.00000
      2      -4.3166      1.00000
      3      -2.9335      1.00000
      4      -1.0792      1.00000
      5       1.1374      1.00000
      6       2.1263      1.00000
      7       2.2908      1.00000
      8       3.0002      0.98358
      9       3.4471     -0.02946
     10       4.2301     -0.00000
     11       4.4851     -0.00000
     12       4.8571     -0.00000
     13       6.2160     -0.00000
     14       6.8517     -0.00000
     15       7.2177     -0.00000
     16       8.6723      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37521
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2179     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1939      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37521
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2238     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1939      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1852      0.37515
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2221     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1938      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37521
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2357     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1939      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37520
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2221     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1205      1.00000
      2      -2.2216      1.00000
      3      -0.8720      1.00000
      4      -0.6192      1.00000
      5       0.1939      1.00000
      6       0.8278      1.00000
      7       1.7783      1.00000
      8       1.8434      1.00000
      9       2.5617      1.00011
     10       3.1851      0.37522
     11       4.1233     -0.00000
     12       4.6575     -0.00000
     13       6.0410     -0.00000
     14       6.1494     -0.00000
     15       6.3559     -0.00000
     16       8.2305     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8496      1.00000
      2      -0.8309      1.00000
      3      -0.8046      1.00000
      4      -0.0058      1.00000
      5       0.0548      1.00000
      6       0.0745      1.00000
      7       1.0971      1.00000
      8       1.1025      1.00000
      9       1.7982      1.00000
     10       2.6901      1.00244
     11       4.0848     -0.00000
     12       4.1124     -0.00000
     13       5.9538     -0.00000
     14       5.9874     -0.00000
     15       6.0310     -0.00000
     16       8.0123     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   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
115.737 -61.818   0.000  -0.071   0.000  -0.000  -0.024  -0.000
-61.818  33.020  -0.000   0.029  -0.000   0.000   0.015   0.000
  0.000  -0.000   2.073   0.000  -0.000  -0.322  -0.000   0.000
 -0.071   0.029   0.000   1.749  -0.000   0.000  -0.268   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   0.015  -0.000  -0.268   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    416.0569: real time    418.9342
    FORNL :  cpu time      0.4956: real time      0.5006
    FORCOR:  cpu time      1.9586: real time      1.9694
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.533E-05 0.469E-05 0.182E+03   0.436E-13 0.276E-13 -.181E+03   -.605E-05 -.608E-05 -.127E+01
   0.276E-05 0.728E-05 0.905E+02   -.306E-14 0.230E-14 -.906E+02   -.174E-05 -.523E-05 0.164E+00
   -.483E-05 0.840E-05 -.777E+00   -.140E-12 -.843E-13 0.759E+00   0.236E-05 -.116E-04 0.249E-01
   -.674E-05 0.173E-04 -.919E+02   0.134E-12 0.812E-13 0.918E+02   0.966E-05 -.197E-04 0.105E+00
   -.161E-04 0.448E-05 -.180E+03   -.436E-13 -.236E-13 0.179E+03   0.175E-04 -.733E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.197E-04 0.452E-04 -.267E-01   -.971E-14 0.313E-14 -.853E-13   0.217E-04 -.499E-04 0.335E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000000     -0.129622
      0.00000      0.00000      2.33311         0.000000      0.000003      0.114992
      1.42873      0.82488      4.66621        -0.000003     -0.000001      0.004347
      2.85746      1.64976      7.00307         0.000003      0.000000      0.002149
      0.00000      0.00000      9.39310         0.000000     -0.000002      0.008133
 -----------------------------------------------------------------------------------
    total drift:                                0.000003     -0.000007      0.008410


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90248515 eV

  energy  without entropy=      -13.89898601  energy(sigma->0) =      -13.90131877
 
 d Force = 0.4183860E-03[-0.313E-03, 0.115E-02]  d Energy = 0.3724016E-03 0.460E-04
 d Force =-0.7709724E+01[-0.774E+01,-0.768E+01]  d Ewald  =-0.7709729E+01 0.436E-05


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


    POTLOK:  cpu time      1.9559: real time      1.9669


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.341E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  18.5660
 eigenvalue spectrum of G is 18.5660


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


    WAVPRE:  cpu time      0.0060: real time      0.0732
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9606: real time      1.9720
    EDDIAG:  cpu time    571.2677: real time    575.9053
    CHARGE:  cpu time      0.2653: real time      0.2673
 writing wavefunctions
     LOOP+:  cpu time  10210.7430: real time  10291.6455


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


    POTLOK:  cpu time      0.7236: real time      0.7295
    SETDIJ:  cpu time      1.2413: real time      1.2464
    TRIAL :  cpu time    577.0615: real time    581.7533
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    579.3055: real time    584.0110

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1007713E-02  (-0.5880695E-03)
 number of electron      15.0000000 magnetization       0.0000017
 augmentation part       -0.0011573 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.93227509
  -exchange      EXHF   =        33.22126287
  -V(xc)+E(xc)   XCENC  =       -83.56279764
  PAW double counting   =    100796.47155717  -100695.51032422
  entropy T*S    EENTRO =        -0.00335032
  eigenvalues    EBANDS =       -34.88925027
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90147151 eV

  energy without entropy =      -13.89812120  energy(sigma->0) =      -13.90035474
  exchange ACFDT corr.  =        -0.00374390  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7283
    SETDIJ:  cpu time      1.2412: real time      1.2463
    TRIAL :  cpu time    576.0201: real time    580.6561
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2650: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    578.2533: real time    582.9020

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3956100E-03  (-0.4892492E-03)
 number of electron      15.0000000 magnetization       0.0000013
 augmentation part       -0.0011563 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.71220475
  -exchange      EXHF   =        33.21968976
  -V(xc)+E(xc)   XCENC  =       -83.56334388
  PAW double counting   =    100797.59319593  -100696.63192340
  entropy T*S    EENTRO =        -0.00334778
  eigenvalues    EBANDS =       -35.10765333
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90186712 eV

  energy without entropy =      -13.89851934  energy(sigma->0) =      -13.90075119
  exchange ACFDT corr.  =        -0.00374578  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.7226: real time      0.7282
    SETDIJ:  cpu time      1.2419: real time      1.2471
    TRIAL :  cpu time    574.2841: real time    578.9159
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    576.5183: real time    581.1628

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3335304E-03  (-0.2111706E-03)
 number of electron      15.0000000 magnetization       0.0000010
 augmentation part       -0.0011579 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.59550134
  -exchange      EXHF   =        33.21830677
  -V(xc)+E(xc)   XCENC  =       -83.56381956
  PAW double counting   =    100803.72627375  -100702.76497198
  entropy T*S    EENTRO =        -0.00334968
  eigenvalues    EBANDS =       -35.22286336
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220065 eV

  energy without entropy =      -13.89885097  energy(sigma->0) =      -13.90108409
  exchange ACFDT corr.  =        -0.00373594  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7284
    SETDIJ:  cpu time      1.2335: real time      1.2386
    TRIAL :  cpu time    575.4627: real time    580.1133
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2646: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    577.6880: real time    582.3513

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1505346E-03  (-0.1161784E-03)
 number of electron      15.0000000 magnetization       0.0000008
 augmentation part       -0.0011609 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.60697855
  -exchange      EXHF   =        33.21772028
  -V(xc)+E(xc)   XCENC  =       -83.56402438
  PAW double counting   =    100813.52483545  -100712.56361647
  entropy T*S    EENTRO =        -0.00334368
  eigenvalues    EBANDS =       -35.21066069
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90235119 eV

  energy without entropy =      -13.89900750  energy(sigma->0) =      -13.90123663
  exchange ACFDT corr.  =        -0.00372250  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7278
    SETDIJ:  cpu time      1.2323: real time      1.2372
    TRIAL :  cpu time    574.5261: real time    579.1745
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    576.7505: real time    581.4114

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7314479E-04  (-0.6249868E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0011624 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.63727827
  -exchange      EXHF   =        33.21769704
  -V(xc)+E(xc)   XCENC  =       -83.56404087
  PAW double counting   =    100824.96285627  -100724.00171756
  entropy T*S    EENTRO =        -0.00333239
  eigenvalues    EBANDS =       -35.18032012
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90242433 eV

  energy without entropy =      -13.89909194  energy(sigma->0) =      -13.90131353
  exchange ACFDT corr.  =        -0.00371745  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7286
    SETDIJ:  cpu time      1.2315: real time      1.2366
    TRIAL :  cpu time    577.0100: real time    581.6725
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2647: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    579.2339: real time    583.9090

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4116388E-04  (-0.2325176E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0011612 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.64399416
  -exchange      EXHF   =        33.21788827
  -V(xc)+E(xc)   XCENC  =       -83.56398296
  PAW double counting   =    100837.94592470  -100736.98481871
  entropy T*S    EENTRO =        -0.00332175
  eigenvalues    EBANDS =       -35.17387310
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90246549 eV

  energy without entropy =      -13.89914375  energy(sigma->0) =      -13.90135824
  exchange ACFDT corr.  =        -0.00371074  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7286
    SETDIJ:  cpu time      1.2325: real time      1.2377
    TRIAL :  cpu time    574.9518: real time    579.5789
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2651: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    577.1768: real time    581.8167

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1621092E-04  (-0.1488281E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0011579 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.64491524
  -exchange      EXHF   =        33.21808600
  -V(xc)+E(xc)   XCENC  =       -83.56391688
  PAW double counting   =    100851.46087535  -100750.49979749
  entropy T*S    EENTRO =        -0.00331579
  eigenvalues    EBANDS =       -35.17321454
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90248171 eV

  energy without entropy =      -13.89916592  energy(sigma->0) =      -13.90137644
  exchange ACFDT corr.  =        -0.00370511  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7279
    SETDIJ:  cpu time      1.2357: real time      1.2408
    TRIAL :  cpu time    575.1781: real time    579.8110
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    577.4063: real time    582.0519

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9848955E-05  (-0.1003471E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0011537 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.65791938
  -exchange      EXHF   =        33.21822363
  -V(xc)+E(xc)   XCENC  =       -83.56386830
  PAW double counting   =    100864.35832300  -100763.39724425
  entropy T*S    EENTRO =        -0.00331275
  eigenvalues    EBANDS =       -35.16041333
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90249155 eV

  energy without entropy =      -13.89917880  energy(sigma->0) =      -13.90138730
  exchange ACFDT corr.  =        -0.00370170  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration     14(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7288
    SETDIJ:  cpu time      1.2317: real time      1.2369
    TRIAL :  cpu time    574.6118: real time    579.2499
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    571.3724: real time    576.0717
    CHARGE:  cpu time      0.2649: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time   1148.2086: real time   1157.5585

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7478346E-05  (-0.5366491E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0011493 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       393.72233861
  -Hartree energ DENC   =      -691.67025157
  -exchange      EXHF   =        33.21819823
  -V(xc)+E(xc)   XCENC  =       -83.56385432
  PAW double counting   =    100875.97821514  -100775.01714129
  entropy T*S    EENTRO =        -0.00330869
  eigenvalues    EBANDS =       -35.14813815
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90249903 eV

  energy without entropy =      -13.89919035  energy(sigma->0) =      -13.90139614
  exchange ACFDT corr.  =        -0.00369918  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   0.9731


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8813       2 -69.7781       3 -69.7945       4 -69.7951       5 -69.9105
 
 
 
 E-fermi :   3.1578     XC(G=0):  -5.1256     alpha+bet : -8.9779

 Fermi energy:         3.1577982178

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8592      1.00000
      2      -9.9745      1.00000
      3      -8.6144      1.00000
      4      -6.7573      1.00000
      5      -4.3632      1.00000
      6      -1.6017      1.00000
      7       1.5641      1.00000
      8       4.5985     -0.00000
      9       5.4078     -0.00000
     10       7.9213     -0.00000
     11       7.9715     -0.00000
     12      11.8878      0.00000
     13      12.1671      0.00000
     14      16.0962      0.00000
     15      16.1096      0.00000
     16      16.1394      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6507      1.00000
      2      -9.7653      1.00000
      3      -8.4042      1.00000
      4      -6.5453      1.00000
      5      -4.1471      1.00000
      6      -1.3915      1.00000
      7       1.7779      1.00000
      8       4.7815     -0.00000
      9       5.5821     -0.00000
     10       8.0895     -0.00000
     11       8.1368     -0.00000
     12      12.0185      0.00000
     13      12.2661      0.00000
     14      13.1476      0.00000
     15      13.8672      0.00000
     16      14.3568      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6507      1.00000
      2      -9.7653      1.00000
      3      -8.4042      1.00000
      4      -6.5453      1.00000
      5      -4.1471      1.00000
      6      -1.3915      1.00000
      7       1.7779      1.00000
      8       4.7815     -0.00000
      9       5.5821     -0.00000
     10       8.0895     -0.00000
     11       8.1368     -0.00000
     12      12.0185      0.00000
     13      12.2661      0.00000
     14      13.1476      0.00000
     15      13.8671      0.00000
     16      14.3675      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6507      1.00000
      2      -9.7653      1.00000
      3      -8.4042      1.00000
      4      -6.5453      1.00000
      5      -4.1471      1.00000
      6      -1.3915      1.00000
      7       1.7779      1.00000
      8       4.7815     -0.00000
      9       5.5821     -0.00000
     10       8.0895     -0.00000
     11       8.1368     -0.00000
     12      12.0185      0.00000
     13      12.2661      0.00000
     14      13.1476      0.00000
     15      13.8671      0.00000
     16      14.3567      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0248      1.00000
      2      -9.1376      1.00000
      3      -7.7732      1.00000
      4      -5.9092      1.00000
      5      -3.4998      1.00000
      6      -0.7616      1.00000
      7       2.4061      1.00000
      8       5.3141     -0.00000
      9       6.1003     -0.00000
     10       8.4771     -0.00000
     11       8.6159     -0.00000
     12       9.7516      0.00000
     13      10.2904      0.00000
     14      11.3818      0.00000
     15      12.4948      0.00000
     16      12.7692      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0248      1.00000
      2      -9.1376      1.00000
      3      -7.7732      1.00000
      4      -5.9092      1.00000
      5      -3.4998      1.00000
      6      -0.7616      1.00000
      7       2.4061      1.00000
      8       5.3141     -0.00000
      9       6.1003     -0.00000
     10       8.4771     -0.00000
     11       8.6159     -0.00000
     12       9.7516      0.00000
     13      10.2904      0.00000
     14      11.3818      0.00000
     15      12.4961      0.00000
     16      12.7857      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0248      1.00000
      2      -9.1376      1.00000
      3      -7.7732      1.00000
      4      -5.9092      1.00000
      5      -3.4998      1.00000
      6      -0.7616      1.00000
      7       2.4061      1.00000
      8       5.3141     -0.00000
      9       6.1003     -0.00000
     10       8.4771     -0.00000
     11       8.6159     -0.00000
     12       9.7516      0.00000
     13      10.2904      0.00000
     14      11.3818      0.00000
     15      12.4976      0.00000
     16      12.8122      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9810      1.00000
      2      -8.0905      1.00000
      3      -6.7204      1.00000
      4      -4.8491      1.00000
      5      -2.4269      1.00000
      6       0.2777      1.00000
      7       3.3720     -0.03116
      8       5.6560     -0.00000
      9       6.5397     -0.00000
     10       6.8757     -0.00000
     11       7.0496     -0.00000
     12       8.0716     -0.00000
     13       9.4003      0.00000
     14       9.5743      0.00000
     15       9.7988      0.00000
     16      11.5730      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9810      1.00000
      2      -8.0905      1.00000
      3      -6.7204      1.00000
      4      -4.8491      1.00000
      5      -2.4269      1.00000
      6       0.2777      1.00000
      7       3.3720     -0.03116
      8       5.6560     -0.00000
      9       6.5397     -0.00000
     10       6.8757     -0.00000
     11       7.0496     -0.00000
     12       8.0716     -0.00000
     13       9.4003      0.00000
     14       9.5743      0.00000
     15       9.7988      0.00000
     16      11.5764      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9810      1.00000
      2      -8.0905      1.00000
      3      -6.7204      1.00000
      4      -4.8491      1.00000
      5      -2.4269      1.00000
      6       0.2777      1.00000
      7       3.3720     -0.03116
      8       5.6560     -0.00000
      9       6.5397     -0.00000
     10       6.8757     -0.00000
     11       7.0496     -0.00000
     12       8.0716     -0.00000
     13       9.4003      0.00000
     14       9.5743      0.00000
     15       9.7988      0.00000
     16      11.5880      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5173      1.00000
      2      -6.6214      1.00000
      3      -5.2444      1.00000
      4      -3.3686      1.00000
      5      -0.9586      1.00000
      6       1.5764      1.00000
      7       2.5785      1.00016
      8       3.5393     -0.01078
      9       4.8032     -0.00000
     10       5.0952     -0.00000
     11       6.5308     -0.00000
     12       7.6259     -0.00000
     13       8.2094     -0.00000
     14       8.6899      0.00000
     15      10.5092      0.00000
     16      10.8137      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5173      1.00000
      2      -6.6214      1.00000
      3      -5.2444      1.00000
      4      -3.3686      1.00000
      5      -0.9586      1.00000
      6       1.5764      1.00000
      7       2.5785      1.00016
      8       3.5393     -0.01078
      9       4.8032     -0.00000
     10       5.0952     -0.00000
     11       6.5308     -0.00000
     12       7.6259     -0.00000
     13       8.2094     -0.00000
     14       8.6899      0.00000
     15      10.5092      0.00000
     16      10.8127      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5173      1.00000
      2      -6.6214      1.00000
      3      -5.2444      1.00000
      4      -3.3686      1.00000
      5      -0.9586      1.00000
      6       1.5764      1.00000
      7       2.5785      1.00016
      8       3.5393     -0.01078
      9       4.8032     -0.00000
     10       5.0952     -0.00000
     11       6.5308     -0.00000
     12       7.6259     -0.00000
     13       8.2094     -0.00000
     14       8.6899      0.00000
     15      10.5091      0.00000
     16      10.8127      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6295      1.00000
      2      -4.7280      1.00000
      3      -3.3499      1.00000
      4      -1.5135      1.00000
      5      -0.6299      1.00000
      6       0.1275      1.00000
      7       1.1070      1.00000
      8       2.0171      1.00000
      9       3.6523     -0.00132
     10       3.7392     -0.00016
     11       5.9121     -0.00000
     12       6.6682     -0.00000
     13       8.2257     -0.00000
     14       9.1750      0.00000
     15       9.7504      0.00000
     16      10.5684      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6295      1.00000
      2      -4.7280      1.00000
      3      -3.3499      1.00000
      4      -1.5135      1.00000
      5      -0.6299      1.00000
      6       0.1275      1.00000
      7       1.1070      1.00000
      8       2.0171      1.00000
      9       3.6523     -0.00132
     10       3.7392     -0.00016
     11       5.9121     -0.00000
     12       6.6682     -0.00000
     13       8.2257     -0.00000
     14       9.1750      0.00000
     15       9.7504      0.00000
     16      10.4365      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6295      1.00000
      2      -4.7280      1.00000
      3      -3.3499      1.00000
      4      -1.5135      1.00000
      5      -0.6299      1.00000
      6       0.1275      1.00000
      7       1.1070      1.00000
      8       2.0171      1.00000
      9       3.6523     -0.00132
     10       3.7392     -0.00016
     11       5.9121     -0.00000
     12       6.6682     -0.00000
     13       8.2257     -0.00000
     14       9.1750      0.00000
     15       9.7504      0.00000
     16      10.4546      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3301      1.00000
      2      -3.3068      1.00000
      3      -2.4321      1.00000
      4      -2.4149      1.00000
      5      -1.2848      1.00000
      6      -0.8934      1.00000
      7       0.6487      1.00000
      8       1.3861      1.00000
      9       3.3654     -0.02862
     10       3.4982     -0.01847
     11       5.6728     -0.00000
     12       6.0082     -0.00000
     13       8.3669     -0.00000
     14       8.8352      0.00000
     15      10.2674      0.00000
     16      10.5332      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3301      1.00000
      2      -3.3068      1.00000
      3      -2.4321      1.00000
      4      -2.4149      1.00000
      5      -1.2848      1.00000
      6      -0.8934      1.00000
      7       0.6487      1.00000
      8       1.3861      1.00000
      9       3.3654     -0.02861
     10       3.4982     -0.01847
     11       5.6728     -0.00000
     12       6.0082     -0.00000
     13       8.3669     -0.00000
     14       8.8352      0.00000
     15      10.2674      0.00000
     16      10.5342      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3301      1.00000
      2      -3.3068      1.00000
      3      -2.4321      1.00000
      4      -2.4149      1.00000
      5      -1.2848      1.00000
      6      -0.8934      1.00000
      7       0.6487      1.00000
      8       1.3861      1.00000
      9       3.3654     -0.02861
     10       3.4982     -0.01847
     11       5.6728     -0.00000
     12       6.0082     -0.00000
     13       8.3669     -0.00000
     14       8.8352      0.00000
     15      10.2674      0.00000
     16      10.5330      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2334      1.00000
      2      -9.3469      1.00000
      3      -7.9836      1.00000
      4      -6.1213      1.00000
      5      -3.7154      1.00000
      6      -0.9713      1.00000
      7       2.1993      1.00000
      8       5.1410     -0.00000
      9       5.9290     -0.00000
     10       8.4151     -0.00000
     11       8.4466     -0.00000
     12      11.4596      0.00000
     13      11.4761      0.00000
     14      11.8983      0.00000
     15      12.0224      0.00000
     16      12.6415      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2334      1.00000
      2      -9.3469      1.00000
      3      -7.9836      1.00000
      4      -6.1213      1.00000
      5      -3.7154      1.00000
      6      -0.9713      1.00000
      7       2.1993      1.00000
      8       5.1410     -0.00000
      9       5.9290     -0.00000
     10       8.4151     -0.00000
     11       8.4466     -0.00000
     12      11.4596      0.00000
     13      11.4762      0.00000
     14      11.8983      0.00000
     15      12.0223      0.00000
     16      12.6325      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2334      1.00000
      2      -9.3469      1.00000
      3      -7.9836      1.00000
      4      -6.1213      1.00000
      5      -3.7154      1.00000
      6      -0.9713      1.00000
      7       2.1993      1.00000
      8       5.1410     -0.00000
      9       5.9290     -0.00000
     10       8.4151     -0.00000
     11       8.4466     -0.00000
     12      11.4596      0.00000
     13      11.4761      0.00000
     14      11.8984      0.00000
     15      12.0227      0.00000
     16      12.6443      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7361      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6070      0.00000
     16      10.0692      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6069      0.00000
     16      10.0176      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9272      0.00000
     15       9.6081      0.00000
     16      10.2174      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9273      0.00000
     15       9.6073      0.00000
     16      10.2065      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6069      0.00000
     16      10.0235      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9272      0.00000
     15       9.6249      0.00000
     16      10.0894      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1321      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0965      0.00000
     16       9.1321      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0965      0.00000
     16       9.1319      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0965      0.00000
     16       9.1320      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0965      0.00000
     16       9.1321      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1319      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6836      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6870      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6848      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6829      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6827      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6861      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3544      1.00000
      2      -7.4616      1.00000
      3      -6.0883      1.00000
      4      -4.2134      1.00000
      5      -1.7885      1.00000
      6       0.8931      1.00000
      7       3.9181     -0.00000
      8       6.0309     -0.00000
      9       6.5222     -0.00000
     10       7.2453     -0.00000
     11       7.3194     -0.00000
     12       7.4969     -0.00000
     13       7.5994     -0.00000
     14       8.3841     -0.00000
     15       8.7490      0.00000
     16      10.0443      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3544      1.00000
      2      -7.4616      1.00000
      3      -6.0883      1.00000
      4      -4.2134      1.00000
      5      -1.7885      1.00000
      6       0.8931      1.00000
      7       3.9181     -0.00000
      8       6.0309     -0.00000
      9       6.5222     -0.00000
     10       7.2453     -0.00000
     11       7.3194     -0.00000
     12       7.4969     -0.00000
     13       7.5994     -0.00000
     14       8.3841     -0.00000
     15       8.7490      0.00000
     16      10.0554      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3544      1.00000
      2      -7.4616      1.00000
      3      -6.0883      1.00000
      4      -4.2134      1.00000
      5      -1.7885      1.00000
      6       0.8931      1.00000
      7       3.9181     -0.00000
      8       6.0309     -0.00000
      9       6.5222     -0.00000
     10       7.2453     -0.00000
     11       7.3194     -0.00000
     12       7.4969     -0.00000
     13       7.5994     -0.00000
     14       8.3841     -0.00000
     15       8.7490      0.00000
     16      10.0552      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7532      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7535      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7533      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7533      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3962     -0.00000
     16       8.7536      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3962     -0.00000
     16       8.7532      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8360      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8390      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8430      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6153     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8537      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8759      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8703      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7041      1.00000
      2      -2.6806      1.00000
      3      -1.8034      1.00000
      4      -1.7973      1.00000
      5      -0.6705      1.00000
      6      -0.2799      1.00000
      7       1.2497      1.00000
      8       1.9783      1.00000
      9       3.7604     -0.00009
     10       3.8926     -0.00000
     11       4.7382     -0.00000
     12       5.7635     -0.00000
     13       6.3927     -0.00000
     14       6.7455     -0.00000
     15       7.1303     -0.00000
     16       8.7062      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7041      1.00000
      2      -2.6806      1.00000
      3      -1.8034      1.00000
      4      -1.7973      1.00000
      5      -0.6705      1.00000
      6      -0.2799      1.00000
      7       1.2497      1.00000
      8       1.9783      1.00000
      9       3.7604     -0.00009
     10       3.8926     -0.00000
     11       4.7382     -0.00000
     12       5.7635     -0.00000
     13       6.3927     -0.00000
     14       6.7455     -0.00000
     15       7.1303     -0.00000
     16       8.6936      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7041      1.00000
      2      -2.6806      1.00000
      3      -1.8034      1.00000
      4      -1.7973      1.00000
      5      -0.6705      1.00000
      6      -0.2799      1.00000
      7       1.2497      1.00000
      8       1.9783      1.00000
      9       3.7604     -0.00009
     10       3.8926     -0.00000
     11       4.7382     -0.00000
     12       5.7635     -0.00000
     13       6.3927     -0.00000
     14       6.7455     -0.00000
     15       7.1303     -0.00000
     16       8.6922      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2121      1.00000
      2      -4.3097      1.00000
      3      -2.9295      1.00000
      4      -1.0773      1.00000
      5       1.1359      1.00000
      6       2.1338      1.00000
      7       2.2990      1.00000
      8       3.0070      0.97856
      9       3.4524     -0.02898
     10       4.2331     -0.00000
     11       4.4873     -0.00000
     12       4.8602     -0.00000
     13       6.2177     -0.00000
     14       6.8523     -0.00000
     15       7.2116     -0.00000
     16       8.6672      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2121      1.00000
      2      -4.3097      1.00000
      3      -2.9295      1.00000
      4      -1.0773      1.00000
      5       1.1359      1.00000
      6       2.1338      1.00000
      7       2.2990      1.00000
      8       3.0070      0.97856
      9       3.4524     -0.02898
     10       4.2331     -0.00000
     11       4.4873     -0.00000
     12       4.8602     -0.00000
     13       6.2177     -0.00000
     14       6.8523     -0.00000
     15       7.2116     -0.00000
     16       8.6724      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2121      1.00000
      2      -4.3097      1.00000
      3      -2.9295      1.00000
      4      -1.0773      1.00000
      5       1.1359      1.00000
      6       2.1338      1.00000
      7       2.2990      1.00000
      8       3.0070      0.97856
      9       3.4524     -0.02898
     10       4.2331     -0.00000
     11       4.4873     -0.00000
     12       4.8602     -0.00000
     13       6.2177     -0.00000
     14       6.8523     -0.00000
     15       7.2116     -0.00000
     16       8.6746      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37911
     11       4.1226     -0.00000
     12       4.6590     -0.00000
     13       6.0401     -0.00000
     14       6.1498     -0.00000
     15       6.3544     -0.00000
     16       8.2119     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37913
     11       4.1226     -0.00000
     12       4.6590     -0.00000
     13       6.0401     -0.00000
     14       6.1497     -0.00000
     15       6.3544     -0.00000
     16       8.2234     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37911
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1497     -0.00000
     15       6.3544     -0.00000
     16       8.2176     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37911
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1497     -0.00000
     15       6.3544     -0.00000
     16       8.2172     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37912
     11       4.1226     -0.00000
     12       4.6590     -0.00000
     13       6.0401     -0.00000
     14       6.1498     -0.00000
     15       6.3544     -0.00000
     16       8.2164     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37914
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1498     -0.00000
     15       6.3544     -0.00000
     16       8.3662     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8418      1.00000
      2      -0.8228      1.00000
      3      -0.7962      1.00000
      4       0.0018      1.00000
      5       0.0610      1.00000
      6       0.0820      1.00000
      7       1.1000      1.00000
      8       1.1092      1.00000
      9       1.8012      1.00000
     10       2.6921      1.00238
     11       4.0855     -0.00000
     12       4.1134     -0.00000
     13       5.9496     -0.00000
     14       5.9854     -0.00000
     15       6.0269     -0.00000
     16       8.0096     -0.00000
 Fermi energy:         3.1577982178

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8592      1.00000
      2      -9.9745      1.00000
      3      -8.6144      1.00000
      4      -6.7573      1.00000
      5      -4.3632      1.00000
      6      -1.6017      1.00000
      7       1.5641      1.00000
      8       4.5985     -0.00000
      9       5.4078     -0.00000
     10       7.9213     -0.00000
     11       7.9715     -0.00000
     12      11.8878      0.00000
     13      12.1671      0.00000
     14      16.0952      0.00000
     15      16.1269      0.00000
     16      16.2242      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6507      1.00000
      2      -9.7653      1.00000
      3      -8.4042      1.00000
      4      -6.5453      1.00000
      5      -4.1471      1.00000
      6      -1.3915      1.00000
      7       1.7779      1.00000
      8       4.7815     -0.00000
      9       5.5822     -0.00000
     10       8.0895     -0.00000
     11       8.1368     -0.00000
     12      12.0185      0.00000
     13      12.2661      0.00000
     14      13.1476      0.00000
     15      13.8671      0.00000
     16      14.3556      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6507      1.00000
      2      -9.7653      1.00000
      3      -8.4042      1.00000
      4      -6.5453      1.00000
      5      -4.1471      1.00000
      6      -1.3915      1.00000
      7       1.7779      1.00000
      8       4.7815     -0.00000
      9       5.5822     -0.00000
     10       8.0895     -0.00000
     11       8.1368     -0.00000
     12      12.0185      0.00000
     13      12.2661      0.00000
     14      13.1476      0.00000
     15      13.8671      0.00000
     16      14.3555      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6507      1.00000
      2      -9.7653      1.00000
      3      -8.4042      1.00000
      4      -6.5453      1.00000
      5      -4.1471      1.00000
      6      -1.3915      1.00000
      7       1.7779      1.00000
      8       4.7815     -0.00000
      9       5.5822     -0.00000
     10       8.0895     -0.00000
     11       8.1368     -0.00000
     12      12.0185      0.00000
     13      12.2661      0.00000
     14      13.1476      0.00000
     15      13.8672      0.00000
     16      14.3563      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0248      1.00000
      2      -9.1376      1.00000
      3      -7.7732      1.00000
      4      -5.9092      1.00000
      5      -3.4998      1.00000
      6      -0.7616      1.00000
      7       2.4061      1.00000
      8       5.3141     -0.00000
      9       6.1003     -0.00000
     10       8.4771     -0.00000
     11       8.6159     -0.00000
     12       9.7516      0.00000
     13      10.2904      0.00000
     14      11.3818      0.00000
     15      12.4993      0.00000
     16      12.8158      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0248      1.00000
      2      -9.1376      1.00000
      3      -7.7732      1.00000
      4      -5.9092      1.00000
      5      -3.4998      1.00000
      6      -0.7616      1.00000
      7       2.4061      1.00000
      8       5.3141     -0.00000
      9       6.1003     -0.00000
     10       8.4771     -0.00000
     11       8.6159     -0.00000
     12       9.7516      0.00000
     13      10.2904      0.00000
     14      11.3818      0.00000
     15      12.4949      0.00000
     16      12.7681      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0248      1.00000
      2      -9.1376      1.00000
      3      -7.7732      1.00000
      4      -5.9092      1.00000
      5      -3.4998      1.00000
      6      -0.7616      1.00000
      7       2.4061      1.00000
      8       5.3141     -0.00000
      9       6.1003     -0.00000
     10       8.4771     -0.00000
     11       8.6159     -0.00000
     12       9.7516      0.00000
     13      10.2904      0.00000
     14      11.3818      0.00000
     15      12.4967      0.00000
     16      12.7938      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9810      1.00000
      2      -8.0905      1.00000
      3      -6.7204      1.00000
      4      -4.8491      1.00000
      5      -2.4269      1.00000
      6       0.2777      1.00000
      7       3.3720     -0.03116
      8       5.6560     -0.00000
      9       6.5397     -0.00000
     10       6.8757     -0.00000
     11       7.0496     -0.00000
     12       8.0716     -0.00000
     13       9.4003      0.00000
     14       9.5743      0.00000
     15       9.7988      0.00000
     16      11.5741      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9810      1.00000
      2      -8.0905      1.00000
      3      -6.7204      1.00000
      4      -4.8491      1.00000
      5      -2.4269      1.00000
      6       0.2777      1.00000
      7       3.3720     -0.03116
      8       5.6560     -0.00000
      9       6.5397     -0.00000
     10       6.8757     -0.00000
     11       7.0496     -0.00000
     12       8.0716     -0.00000
     13       9.4003      0.00000
     14       9.5743      0.00000
     15       9.7988      0.00000
     16      11.5853      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9810      1.00000
      2      -8.0905      1.00000
      3      -6.7204      1.00000
      4      -4.8491      1.00000
      5      -2.4269      1.00000
      6       0.2777      1.00000
      7       3.3720     -0.03116
      8       5.6560     -0.00000
      9       6.5397     -0.00000
     10       6.8757     -0.00000
     11       7.0496     -0.00000
     12       8.0716     -0.00000
     13       9.4003      0.00000
     14       9.5743      0.00000
     15       9.7988      0.00000
     16      11.5779      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5173      1.00000
      2      -6.6214      1.00000
      3      -5.2444      1.00000
      4      -3.3686      1.00000
      5      -0.9586      1.00000
      6       1.5764      1.00000
      7       2.5785      1.00016
      8       3.5393     -0.01078
      9       4.8032     -0.00000
     10       5.0952     -0.00000
     11       6.5308     -0.00000
     12       7.6259     -0.00000
     13       8.2094     -0.00000
     14       8.6899      0.00000
     15      10.5089      0.00000
     16      10.8133      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5173      1.00000
      2      -6.6214      1.00000
      3      -5.2444      1.00000
      4      -3.3686      1.00000
      5      -0.9586      1.00000
      6       1.5764      1.00000
      7       2.5785      1.00016
      8       3.5393     -0.01078
      9       4.8032     -0.00000
     10       5.0952     -0.00000
     11       6.5308     -0.00000
     12       7.6259     -0.00000
     13       8.2094     -0.00000
     14       8.6899      0.00000
     15      10.5099      0.00000
     16      10.8151      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5173      1.00000
      2      -6.6214      1.00000
      3      -5.2444      1.00000
      4      -3.3686      1.00000
      5      -0.9586      1.00000
      6       1.5764      1.00000
      7       2.5785      1.00016
      8       3.5393     -0.01078
      9       4.8032     -0.00000
     10       5.0952     -0.00000
     11       6.5308     -0.00000
     12       7.6259     -0.00000
     13       8.2094     -0.00000
     14       8.6899      0.00000
     15      10.5097      0.00000
     16      10.8149      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6295      1.00000
      2      -4.7280      1.00000
      3      -3.3499      1.00000
      4      -1.5135      1.00000
      5      -0.6299      1.00000
      6       0.1275      1.00000
      7       1.1070      1.00000
      8       2.0171      1.00000
      9       3.6523     -0.00132
     10       3.7392     -0.00016
     11       5.9121     -0.00000
     12       6.6682     -0.00000
     13       8.2257     -0.00000
     14       9.1750      0.00000
     15       9.7504      0.00000
     16      10.4617      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6295      1.00000
      2      -4.7280      1.00000
      3      -3.3499      1.00000
      4      -1.5135      1.00000
      5      -0.6299      1.00000
      6       0.1275      1.00000
      7       1.1070      1.00000
      8       2.0171      1.00000
      9       3.6523     -0.00132
     10       3.7392     -0.00016
     11       5.9121     -0.00000
     12       6.6682     -0.00000
     13       8.2257     -0.00000
     14       9.1750      0.00000
     15       9.7504      0.00000
     16      10.4927      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6295      1.00000
      2      -4.7280      1.00000
      3      -3.3499      1.00000
      4      -1.5135      1.00000
      5      -0.6299      1.00000
      6       0.1275      1.00000
      7       1.1070      1.00000
      8       2.0171      1.00000
      9       3.6523     -0.00132
     10       3.7392     -0.00016
     11       5.9121     -0.00000
     12       6.6682     -0.00000
     13       8.2257     -0.00000
     14       9.1750      0.00000
     15       9.7504      0.00000
     16      10.4993      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3301      1.00000
      2      -3.3068      1.00000
      3      -2.4321      1.00000
      4      -2.4149      1.00000
      5      -1.2848      1.00000
      6      -0.8934      1.00000
      7       0.6487      1.00000
      8       1.3861      1.00000
      9       3.3654     -0.02861
     10       3.4982     -0.01847
     11       5.6728     -0.00000
     12       6.0082     -0.00000
     13       8.3669     -0.00000
     14       8.8352      0.00000
     15      10.2676      0.00000
     16      10.5359      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3301      1.00000
      2      -3.3068      1.00000
      3      -2.4321      1.00000
      4      -2.4149      1.00000
      5      -1.2848      1.00000
      6      -0.8934      1.00000
      7       0.6487      1.00000
      8       1.3861      1.00000
      9       3.3654     -0.02861
     10       3.4982     -0.01847
     11       5.6728     -0.00000
     12       6.0082     -0.00000
     13       8.3669     -0.00000
     14       8.8352      0.00000
     15      10.2674      0.00000
     16      10.5337      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3301      1.00000
      2      -3.3068      1.00000
      3      -2.4321      1.00000
      4      -2.4149      1.00000
      5      -1.2848      1.00000
      6      -0.8934      1.00000
      7       0.6487      1.00000
      8       1.3861      1.00000
      9       3.3654     -0.02861
     10       3.4982     -0.01847
     11       5.6728     -0.00000
     12       6.0082     -0.00000
     13       8.3669     -0.00000
     14       8.8352      0.00000
     15      10.2675      0.00000
     16      10.5333      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2334      1.00000
      2      -9.3469      1.00000
      3      -7.9836      1.00000
      4      -6.1213      1.00000
      5      -3.7154      1.00000
      6      -0.9713      1.00000
      7       2.1993      1.00000
      8       5.1410     -0.00000
      9       5.9290     -0.00000
     10       8.4151     -0.00000
     11       8.4466     -0.00000
     12      11.4596      0.00000
     13      11.4761      0.00000
     14      11.8983      0.00000
     15      12.0225      0.00000
     16      12.6377      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2334      1.00000
      2      -9.3469      1.00000
      3      -7.9836      1.00000
      4      -6.1213      1.00000
      5      -3.7154      1.00000
      6      -0.9713      1.00000
      7       2.1993      1.00000
      8       5.1410     -0.00000
      9       5.9290     -0.00000
     10       8.4151     -0.00000
     11       8.4466     -0.00000
     12      11.4596      0.00000
     13      11.4761      0.00000
     14      11.8984      0.00000
     15      12.0228      0.00000
     16      12.6293      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2334      1.00000
      2      -9.3469      1.00000
      3      -7.9836      1.00000
      4      -6.1213      1.00000
      5      -3.7154      1.00000
      6      -0.9713      1.00000
      7       2.1993      1.00000
      8       5.1410     -0.00000
      9       5.9290     -0.00000
     10       8.4151     -0.00000
     11       8.4466     -0.00000
     12      11.4596      0.00000
     13      11.4761      0.00000
     14      11.8983      0.00000
     15      12.0261      0.00000
     16      12.6859      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.5095      1.00000
      3      -7.1417      1.00000
      4      -5.2731      1.00000
      5      -2.8548      1.00000
      6      -0.1350      1.00000
      7       3.0090      0.97341
      8       5.7967     -0.00000
      9       6.5987     -0.00000
     10       7.8886     -0.00000
     11       8.5963     -0.00000
     12       9.0012      0.00000
     13       9.4184      0.00000
     14       9.8396      0.00000
     15      10.2034      0.00000
     16      10.7360      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6069      0.00000
     16      10.0207      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6071      0.00000
     16      10.0737      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6069      0.00000
     16      10.0375      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6069      0.00000
     16      10.0371      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6080      0.00000
     16      10.2574      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1452      1.00000
      2      -7.2516      1.00000
      3      -5.8773      1.00000
      4      -4.0019      1.00000
      5      -1.5784      1.00000
      6       1.0855      1.00000
      7       3.8087     -0.00002
      8       4.6847     -0.00000
      9       5.4098     -0.00000
     10       6.5154     -0.00000
     11       7.0673     -0.00000
     12       7.6939     -0.00000
     13       8.1879     -0.00000
     14       8.9271      0.00000
     15       9.6069      0.00000
     16      10.0716      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1320      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0965      0.00000
     16       9.1321      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1319      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1320      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0965      0.00000
     16       9.1319      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4697      1.00000
      2      -5.5703      1.00000
      3      -4.1903      1.00000
      4      -2.3210      1.00000
      5      -0.0020      1.00000
      6       1.0353      1.00000
      7       1.9921      1.00000
      8       2.9839      1.00598
      9       3.5286     -0.01250
     10       5.2015     -0.00000
     11       5.8666     -0.00000
     12       7.3121     -0.00000
     13       7.9886     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1320      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6828      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6837      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6832      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6826      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6828      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3691      1.00000
      2      -3.4676      1.00000
      3      -2.1059      1.00000
      4      -1.8560      1.00000
      5      -1.0230      1.00000
      6      -0.3514      1.00000
      7       0.6498      1.00000
      8       2.2841      1.00000
      9       2.6540      1.00106
     10       4.7151     -0.00000
     11       4.8971     -0.00000
     12       7.0273     -0.00000
     13       7.4821     -0.00000
     14       8.0165     -0.00000
     15       8.8397      0.00000
     16       9.6863      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3544      1.00000
      2      -7.4616      1.00000
      3      -6.0883      1.00000
      4      -4.2134      1.00000
      5      -1.7885      1.00000
      6       0.8931      1.00000
      7       3.9181     -0.00000
      8       6.0309     -0.00000
      9       6.5222     -0.00000
     10       7.2453     -0.00000
     11       7.3194     -0.00000
     12       7.4969     -0.00000
     13       7.5994     -0.00000
     14       8.3841     -0.00000
     15       8.7490      0.00000
     16      10.0481      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3544      1.00000
      2      -7.4616      1.00000
      3      -6.0883      1.00000
      4      -4.2134      1.00000
      5      -1.7885      1.00000
      6       0.8931      1.00000
      7       3.9181     -0.00000
      8       6.0309     -0.00000
      9       6.5222     -0.00000
     10       7.2453     -0.00000
     11       7.3194     -0.00000
     12       7.4969     -0.00000
     13       7.5994     -0.00000
     14       8.3841     -0.00000
     15       8.7490      0.00000
     16      10.0453      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3544      1.00000
      2      -7.4616      1.00000
      3      -6.0883      1.00000
      4      -4.2134      1.00000
      5      -1.7885      1.00000
      6       0.8931      1.00000
      7       3.9181     -0.00000
      8       6.0309     -0.00000
      9       6.5222     -0.00000
     10       7.2453     -0.00000
     11       7.3194     -0.00000
     12       7.4969     -0.00000
     13       7.5994     -0.00000
     14       8.3841     -0.00000
     15       8.7490      0.00000
     16      10.0517      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7532      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7533      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7534      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7534      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3963     -0.00000
     16       8.7532      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8897      1.00000
      2      -5.9916      1.00000
      3      -4.6121      1.00000
      4      -2.7363      1.00000
      5      -0.3376      1.00000
      6       2.1624      1.00000
      7       3.1678      0.46087
      8       4.1144     -0.00000
      9       5.0962     -0.00000
     10       5.3666     -0.00000
     11       5.9065     -0.00000
     12       6.4818     -0.00000
     13       7.0188     -0.00000
     14       7.7617     -0.00000
     15       8.3962     -0.00000
     16       8.7535      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6153     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8348      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6153     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8265      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8397      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6153     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8418      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8577      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0012      1.00000
      2      -4.0987      1.00000
      3      -2.7213      1.00000
      4      -0.8950      1.00000
      5      -0.0133      1.00000
      6       0.7295      1.00000
      7       1.6987      1.00000
      8       2.5903      1.00022
      9       4.0768     -0.00000
     10       4.2729     -0.00000
     11       4.8958     -0.00000
     12       5.7360     -0.00000
     13       6.6152     -0.00000
     14       7.3916     -0.00000
     15       7.4864     -0.00000
     16       8.8597      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7041      1.00000
      2      -2.6806      1.00000
      3      -1.8034      1.00000
      4      -1.7973      1.00000
      5      -0.6705      1.00000
      6      -0.2799      1.00000
      7       1.2497      1.00000
      8       1.9783      1.00000
      9       3.7604     -0.00009
     10       3.8926     -0.00000
     11       4.7382     -0.00000
     12       5.7635     -0.00000
     13       6.3927     -0.00000
     14       6.7455     -0.00000
     15       7.1303     -0.00000
     16       8.6796      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7041      1.00000
      2      -2.6806      1.00000
      3      -1.8034      1.00000
      4      -1.7973      1.00000
      5      -0.6705      1.00000
      6      -0.2799      1.00000
      7       1.2497      1.00000
      8       1.9783      1.00000
      9       3.7604     -0.00009
     10       3.8926     -0.00000
     11       4.7382     -0.00000
     12       5.7635     -0.00000
     13       6.3927     -0.00000
     14       6.7455     -0.00000
     15       7.1303     -0.00000
     16       8.6791      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7041      1.00000
      2      -2.6806      1.00000
      3      -1.8034      1.00000
      4      -1.7973      1.00000
      5      -0.6705      1.00000
      6      -0.2799      1.00000
      7       1.2497      1.00000
      8       1.9783      1.00000
      9       3.7604     -0.00009
     10       3.8926     -0.00000
     11       4.7382     -0.00000
     12       5.7635     -0.00000
     13       6.3927     -0.00000
     14       6.7455     -0.00000
     15       7.1303     -0.00000
     16       8.6852      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2121      1.00000
      2      -4.3097      1.00000
      3      -2.9295      1.00000
      4      -1.0773      1.00000
      5       1.1359      1.00000
      6       2.1338      1.00000
      7       2.2990      1.00000
      8       3.0070      0.97855
      9       3.4524     -0.02898
     10       4.2331     -0.00000
     11       4.4873     -0.00000
     12       4.8602     -0.00000
     13       6.2177     -0.00000
     14       6.8523     -0.00000
     15       7.2116     -0.00000
     16       8.6697      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2121      1.00000
      2      -4.3097      1.00000
      3      -2.9295      1.00000
      4      -1.0773      1.00000
      5       1.1359      1.00000
      6       2.1338      1.00000
      7       2.2990      1.00000
      8       3.0070      0.97856
      9       3.4524     -0.02898
     10       4.2331     -0.00000
     11       4.4873     -0.00000
     12       4.8602     -0.00000
     13       6.2177     -0.00000
     14       6.8523     -0.00000
     15       7.2116     -0.00000
     16       8.6675      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2121      1.00000
      2      -4.3097      1.00000
      3      -2.9295      1.00000
      4      -1.0773      1.00000
      5       1.1359      1.00000
      6       2.1338      1.00000
      7       2.2990      1.00000
      8       3.0070      0.97856
      9       3.4524     -0.02898
     10       4.2331     -0.00000
     11       4.4873     -0.00000
     12       4.8602     -0.00000
     13       6.2177     -0.00000
     14       6.8523     -0.00000
     15       7.2116     -0.00000
     16       8.6690      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37911
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1498     -0.00000
     15       6.3544     -0.00000
     16       8.2160     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37911
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1497     -0.00000
     15       6.3544     -0.00000
     16       8.2201     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37912
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1498     -0.00000
     15       6.3544     -0.00000
     16       8.2188     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37913
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1497     -0.00000
     15       6.3544     -0.00000
     16       8.2307     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37912
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1498     -0.00000
     15       6.3544     -0.00000
     16       8.2193     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1125      1.00000
      2      -2.2145      1.00000
      3      -0.8678      1.00000
      4      -0.6111      1.00000
      5       0.2009      1.00000
      6       0.8307      1.00000
      7       1.7843      1.00000
      8       1.8485      1.00000
      9       2.5673      1.00012
     10       3.1871      0.37910
     11       4.1226     -0.00000
     12       4.6591     -0.00000
     13       6.0401     -0.00000
     14       6.1497     -0.00000
     15       6.3544     -0.00000
     16       8.2256     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8418      1.00000
      2      -0.8228      1.00000
      3      -0.7962      1.00000
      4       0.0018      1.00000
      5       0.0610      1.00000
      6       0.0820      1.00000
      7       1.1000      1.00000
      8       1.1092      1.00000
      9       1.8012      1.00000
     10       2.6921      1.00238
     11       4.0856     -0.00000
     12       4.1134     -0.00000
     13       5.9496     -0.00000
     14       5.9854     -0.00000
     15       6.0269     -0.00000
     16       8.0118     -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
115.734 -61.817  -0.000  -0.070   0.000   0.000  -0.025  -0.000
-61.817  33.019   0.000   0.028  -0.000  -0.000   0.015   0.000
 -0.000   0.000   2.073  -0.000  -0.000  -0.322   0.000   0.000
 -0.070   0.028  -0.000   1.749  -0.000   0.000  -0.268   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  -0.268   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    415.8657: real time    418.7555
    FORNL :  cpu time      0.4962: real time      0.5013
    FORCOR:  cpu time      1.9630: real time      1.9736
    OFIELD:  cpu time      0.0005: real time      0.0005

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

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.119E-05 0.217E-05 0.182E+03   0.436E-13 0.276E-13 -.181E+03   -.664E-06 -.170E-05 -.127E+01
   0.690E-06 -.610E-06 0.904E+02   -.291E-14 0.228E-14 -.904E+02   -.183E-05 -.209E-06 0.161E+00
   -.117E-05 0.321E-05 -.909E+00   -.134E-12 -.756E-13 0.880E+00   0.178E-05 -.183E-05 0.430E-01
   0.134E-05 -.500E-05 -.918E+02   0.126E-12 0.709E-13 0.917E+02   -.223E-05 0.627E-05 0.993E-01
   0.645E-05 0.300E-05 -.180E+03   -.428E-13 -.221E-13 0.179E+03   -.661E-05 -.316E-05 0.991E+00
 -----------------------------------------------------------------------------------------------
   0.936E-05 0.314E-05 -.307E-01   -.971E-14 0.313E-14 0.000E+00   -.956E-05 -.634E-06 0.239E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.125062
      0.00000      0.00000      2.33311        -0.000001     -0.000002      0.113940
      1.42873      0.82488      4.66621         0.000001      0.000001      0.014201
      2.85746      1.64976      7.00709        -0.000000      0.000001      0.000239
      0.00000      0.00000      9.40001        -0.000000     -0.000001     -0.003317
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000002     -0.006074


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90249903 eV

  energy  without entropy=      -13.89919035  energy(sigma->0) =      -13.90139614
 
 d Force = 0.2145286E-04[-0.220E-04, 0.649E-04]  d Energy = 0.1388763E-04 0.757E-05
 d Force = 0.1606119E+01[ 0.160E+01, 0.161E+01]  d Ewald  = 0.1606119E+01-0.399E-07


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


    POTLOK:  cpu time      1.9663: real time      1.9771


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


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.534E-06   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  13.3596
 eigenvalue spectrum of G is 13.3596


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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  cpu time   6191.2673: real time   6241.6402
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0    68003. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       3159. kBytes
   fftplans  :       4460. kBytes
   grid      :       3201. kBytes
   one-center:         12. kBytes
   HF        :          4. kBytes
   nonlr-proj:       4975. kBytes
   wavefun   :      19095. kBytes
   fock_wrk  :       3097. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   110143.086
                            User time (sec):   104462.151
                          System time (sec):     5680.932
                         Elapsed time (sec):   111038.686
  
                   Maximum memory used (kb):      288128.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       661664
                          Major page faults:          127
                 Voluntary context switches:         2936
