 vasp.6.2.0 18Jan21 (build May 29 2021 13:05:38) complex
 executed on             LinuxGNU date 2024.08.28  16:39:17
 running on    1 total cores
 distrk:  each k-point on    1 cores,    1 groups
 distr:  one band on NCORE=   1 cores,    1 groups


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


 INCAR:
   ALGO = fast
   EDIFF = 2e-06
   ENCUT = 250
   GGA = ps
   ICHARG = 11
   ISMEAR = 0
   ISPIN = 2
   LASPH = .TRUE.
   LCHARG = .FALSE.
   LREAL = .FALSE.
   LVHAR = .TRUE.
   LWAVE = .FALSE.
   NEDOS = 100
   NELM = 200
   NELMIN = 4
   NWRITE = 1
   PREC = normal
   SIGMA = 0.05

 POTCAR:   PAW_PBE Si 05Jan2001
 -----------------------------------------------------------------------------
|                                                                             |
|           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.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:   PAW_PBE Si 05Jan2001
  local pseudopotential read in
  partial core-charges 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

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You enforced a specific xc type in the INCAR file but a different       |
|     type was found in the POTCAR file.                                      |
|     I HOPE YOU KNOW WHAT YOU ARE DOING!                                     |
|                                                                             |
 -----------------------------------------------------------------------------

 PAW_PBE Si 05Jan2001                   :
 energy of atom  1       EATOM= -103.0669
 kinetic energy error for atom=    0.0052 (will be added to EATOM!!)


 POSCAR: # Compound: Si2. Old comment: Si2
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =       14
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000

 VTST: version 3.2, (02/03/18)

 CHAIN: initializing optimizer

 OPT: Using VASP Dynamics algorithm
 CHAIN: Read ICHAIN            0

 POSCAR: # Compound: Si2. Old comment: Si2
  positions in direct lattice
  No initial velocities read in



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


 ion  position               nearest neighbor table
   1  0.500  0.500  0.500-   2 2.34   2 2.34   2 2.34   2 2.34
   2  0.750  0.750  0.750-   1 2.34   1 2.34   1 2.34   1 2.34

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.4000000000

  Lattice vectors:

 A1 = (   0.0000000000,   2.7000000000,   2.7000000000)
 A2 = (   2.7000000000,   0.0000000000,   2.7000000000)
 A3 = (   2.7000000000,   2.7000000000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.


 Routine SETGRP: Setting up the symmetry group for a
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.


 Routine SETGRP: Setting up the symmetry group for a
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.


 Routine SETGRP: Setting up the symmetry group for a
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The overall configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     1 'primitive' translations


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

                                     Primitive cell

  volume of cell :      39.3660

  direct lattice vectors                    reciprocal lattice vectors
     0.000000000  2.700000000  2.700000000    -0.185185185  0.185185185  0.185185185
     2.700000000  0.000000000  2.700000000     0.185185185 -0.185185185  0.185185185
     2.700000000  2.700000000  0.000000000     0.185185185  0.185185185 -0.185185185

  length of vectors
     3.818376618  3.818376618  3.818376618     0.320750150  0.320750150  0.320750150

  position of ions in fractional coordinates (direct lattice)
     0.500000000  0.500000000  0.500000000
     0.750000000  0.750000000  0.750000000

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2

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



 KPOINTS: # No comment

Read explcit list of k-points.

 Found    202 k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      0.004950
  0.011111 -0.000000  0.011111      0.004950
  0.022222 -0.000000  0.022222      0.004950
  0.033333 -0.000000  0.033333      0.004950
  0.044444 -0.000000  0.044444      0.004950
  0.055556  0.000000  0.055556      0.004950
  0.066667 -0.000000  0.066667      0.004950
  0.077778  0.000000  0.077778      0.004950
  0.088889 -0.000000  0.088889      0.004950
  0.100000  0.000000  0.100000      0.004950
  0.111111  0.000000  0.111111      0.004950
  0.122222 -0.000000  0.122222      0.004950
  0.133333 -0.000000  0.133333      0.004950
  0.144444  0.000000  0.144444      0.004950
  0.155556  0.000000  0.155556      0.004950
  0.166667 -0.000000  0.166667      0.004950
  0.177778 -0.000000  0.177778      0.004950
  0.188889 -0.000000  0.188889      0.004950
  0.200000  0.000000  0.200000      0.004950
  0.211111 -0.000000  0.211111      0.004950
  0.222222  0.000000  0.222222      0.004950
  0.233333  0.000000  0.233333      0.004950
  0.244444 -0.000000  0.244444      0.004950
  0.255556 -0.000000  0.255556      0.004950
  0.266667 -0.000000  0.266667      0.004950
  0.277778 -0.000000  0.277778      0.004950
  0.288889  0.000000  0.288889      0.004950
  0.300000  0.000000  0.300000      0.004950
  0.311111  0.000000  0.311111      0.004950
  0.322222  0.000000  0.322222      0.004950
  0.333333 -0.000000  0.333333      0.004950
  0.344444 -0.000000  0.344444      0.004950
  0.355556 -0.000000  0.355556      0.004950
  0.366667 -0.000000  0.366667      0.004950
  0.377778 -0.000000  0.377778      0.004950
  0.388889 -0.000000  0.388889      0.004950
  0.400000  0.000000  0.400000      0.004950
  0.411111  0.000000  0.411111      0.004950
  0.422222 -0.000000  0.422222      0.004950
  0.433333  0.000000  0.433333      0.004950
  0.444444  0.000000  0.444444      0.004950
  0.455556  0.000000  0.455556      0.004950
  0.466667  0.000000  0.466667      0.004950
  0.477778  0.000000  0.477778      0.004950
  0.488889 -0.000000  0.488889      0.004950
  0.500000  0.000000  0.500000      0.004950
  0.508333  0.016667  0.508333      0.004950
  0.516667  0.033333  0.516667      0.004950
  0.525000  0.050000  0.525000      0.004950
  0.533333  0.066667  0.533333      0.004950
  0.541667  0.083333  0.541667      0.004950
  0.550000  0.100000  0.550000      0.004950
  0.558333  0.116667  0.558333      0.004950
  0.566667  0.133333  0.566667      0.004950
  0.575000  0.150000  0.575000      0.004950
  0.583333  0.166667  0.583333      0.004950
  0.591667  0.183333  0.591667      0.004950
  0.600000  0.200000  0.600000      0.004950
  0.608333  0.216667  0.608333      0.004950
  0.616667  0.233333  0.616667      0.004950
  0.625000  0.250000  0.625000      0.004950
  0.375000  0.375000  0.750000      0.004950
  0.367188  0.367188  0.734375      0.004950
  0.359375  0.359375  0.718750      0.004950
  0.351562  0.351562  0.703125      0.004950
  0.343750  0.343750  0.687500      0.004950
  0.335938  0.335938  0.671875      0.004950
  0.328125  0.328125  0.656250      0.004950
  0.320312  0.320312  0.640625      0.004950
  0.312500  0.312500  0.625000      0.004950
  0.304688  0.304688  0.609375      0.004950
  0.296875  0.296875  0.593750      0.004950
  0.289062  0.289062  0.578125      0.004950
  0.281250  0.281250  0.562500      0.004950
  0.273438  0.273438  0.546875      0.004950
  0.265625  0.265625  0.531250      0.004950
  0.257812  0.257812  0.515625      0.004950
  0.250000  0.250000  0.500000      0.004950
  0.242188  0.242188  0.484375      0.004950
  0.234375  0.234375  0.468750      0.004950
  0.226562  0.226562  0.453125      0.004950
  0.218750  0.218750  0.437500      0.004950
  0.210938  0.210938  0.421875      0.004950
  0.203125  0.203125  0.406250      0.004950
  0.195312  0.195312  0.390625      0.004950
  0.187500  0.187500  0.375000      0.004950
  0.179688  0.179688  0.359375      0.004950
  0.171875  0.171875  0.343750      0.004950
  0.164062  0.164062  0.328125      0.004950
  0.156250  0.156250  0.312500      0.004950
  0.148438  0.148438  0.296875      0.004950
  0.140625  0.140625  0.281250      0.004950
  0.132812  0.132812  0.265625      0.004950
  0.125000  0.125000  0.250000      0.004950
  0.117188  0.117188  0.234375      0.004950
  0.109375  0.109375  0.218750      0.004950
  0.101562  0.101562  0.203125      0.004950
  0.093750  0.093750  0.187500      0.004950
  0.085938  0.085938  0.171875      0.004950
  0.078125  0.078125  0.156250      0.004950
  0.070312  0.070312  0.140625      0.004950
  0.062500  0.062500  0.125000      0.004950
  0.054688  0.054688  0.109375      0.004950
  0.046875  0.046875  0.093750      0.004950
  0.039062  0.039062  0.078125      0.004950
  0.031250  0.031250  0.062500      0.004950
  0.023438  0.023438  0.046875      0.004950
  0.015625  0.015625  0.031250      0.004950
  0.007812  0.007812  0.015625      0.004950
  0.000000  0.000000  0.000000      0.004950
  0.012821  0.012821  0.012821      0.004950
  0.025641  0.025641  0.025641      0.004950
  0.038462  0.038462  0.038462      0.004950
  0.051282  0.051282  0.051282      0.004950
  0.064103  0.064103  0.064103      0.004950
  0.076923  0.076923  0.076923      0.004950
  0.089744  0.089744  0.089744      0.004950
  0.102564  0.102564  0.102564      0.004950
  0.115385  0.115385  0.115385      0.004950
  0.128205  0.128205  0.128205      0.004950
  0.141026  0.141026  0.141026      0.004950
  0.153846  0.153846  0.153846      0.004950
  0.166667  0.166667  0.166667      0.004950
  0.179487  0.179487  0.179487      0.004950
  0.192308  0.192308  0.192308      0.004950
  0.205128  0.205128  0.205128      0.004950
  0.217949  0.217949  0.217949      0.004950
  0.230769  0.230769  0.230769      0.004950
  0.243590  0.243590  0.243590      0.004950
  0.256410  0.256410  0.256410      0.004950
  0.269231  0.269231  0.269231      0.004950
  0.282051  0.282051  0.282051      0.004950
  0.294872  0.294872  0.294872      0.004950
  0.307692  0.307692  0.307692      0.004950
  0.320513  0.320513  0.320513      0.004950
  0.333333  0.333333  0.333333      0.004950
  0.346154  0.346154  0.346154      0.004950
  0.358974  0.358974  0.358974      0.004950
  0.371795  0.371795  0.371795      0.004950
  0.384615  0.384615  0.384615      0.004950
  0.397436  0.397436  0.397436      0.004950
  0.410256  0.410256  0.410256      0.004950
  0.423077  0.423077  0.423077      0.004950
  0.435897  0.435897  0.435897      0.004950
  0.448718  0.448718  0.448718      0.004950
  0.461538  0.461538  0.461538      0.004950
  0.474359  0.474359  0.474359      0.004950
  0.487179  0.487179  0.487179      0.004950
  0.500000  0.500000  0.500000      0.004950
  0.500000  0.491935  0.508065      0.004950
  0.500000  0.483871  0.516129      0.004950
  0.500000  0.475806  0.524194      0.004950
  0.500000  0.467742  0.532258      0.004950
  0.500000  0.459677  0.540323      0.004950
  0.500000  0.451613  0.548387      0.004950
  0.500000  0.443548  0.556452      0.004950
  0.500000  0.435484  0.564516      0.004950
  0.500000  0.427419  0.572581      0.004950
  0.500000  0.419355  0.580645      0.004950
  0.500000  0.411290  0.588710      0.004950
  0.500000  0.403226  0.596774      0.004950
  0.500000  0.395161  0.604839      0.004950
  0.500000  0.387097  0.612903      0.004950
  0.500000  0.379032  0.620968      0.004950
  0.500000  0.370968  0.629032      0.004950
  0.500000  0.362903  0.637097      0.004950
  0.500000  0.354839  0.645161      0.004950
  0.500000  0.346774  0.653226      0.004950
  0.500000  0.338710  0.661290      0.004950
  0.500000  0.330645  0.669355      0.004950
  0.500000  0.322581  0.677419      0.004950
  0.500000  0.314516  0.685484      0.004950
  0.500000  0.306452  0.693548      0.004950
  0.500000  0.298387  0.701613      0.004950
  0.500000  0.290323  0.709677      0.004950
  0.500000  0.282258  0.717742      0.004950
  0.500000  0.274194  0.725806      0.004950
  0.500000  0.266129  0.733871      0.004950
  0.500000  0.258065  0.741935      0.004950
  0.500000  0.250000  0.750000      0.004950
  0.500000  0.238636  0.738636      0.004950
  0.500000  0.227273  0.727273      0.004950
  0.500000  0.215909  0.715909      0.004950
  0.500000  0.204545  0.704545      0.004950
  0.500000  0.193182  0.693182      0.004950
  0.500000  0.181818  0.681818      0.004950
  0.500000  0.170455  0.670455      0.004950
  0.500000  0.159091  0.659091      0.004950
  0.500000  0.147727  0.647727      0.004950
  0.500000  0.136364  0.636364      0.004950
  0.500000  0.125000  0.625000      0.004950
  0.500000  0.113636  0.613636      0.004950
  0.500000  0.102273  0.602273      0.004950
  0.500000  0.090909  0.590909      0.004950
  0.500000  0.079545  0.579545      0.004950
  0.500000  0.068182  0.568182      0.004950
  0.500000  0.056818  0.556818      0.004950
  0.500000  0.045455  0.545455      0.004950
  0.500000  0.034091  0.534091      0.004950
  0.500000  0.022727  0.522727      0.004950
  0.500000  0.011364  0.511364      0.004950
  0.500000  0.000000  0.500000      0.004950

 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      0.004950
 -0.000000  0.004115  0.000000      0.004950
 -0.000000  0.008230  0.000000      0.004950
 -0.000000  0.012346  0.000000      0.004950
 -0.000000  0.016461  0.000000      0.004950
 -0.000000  0.020576  0.000000      0.004950
 -0.000000  0.024691  0.000000      0.004950
 -0.000000  0.028807  0.000000      0.004950
  0.000000  0.032922 -0.000000      0.004950
  0.000000  0.037037 -0.000000      0.004950
  0.000000  0.041152 -0.000000      0.004950
  0.000000  0.045267 -0.000000      0.004950
  0.000000  0.049383 -0.000000      0.004950
  0.000000  0.053498 -0.000000      0.004950
 -0.000000  0.057613  0.000000      0.004950
  0.000000  0.061728 -0.000000      0.004950
  0.000000  0.065844 -0.000000      0.004950
 -0.000000  0.069959  0.000000      0.004950
  0.000000  0.074074 -0.000000      0.004950
 -0.000000  0.078189  0.000000      0.004950
  0.000000  0.082305 -0.000000      0.004950
 -0.000000  0.086420  0.000000      0.004950
  0.000000  0.090535 -0.000000      0.004950
  0.000000  0.094650 -0.000000      0.004950
 -0.000000  0.098765  0.000000      0.004950
 -0.000000  0.102881  0.000000      0.004950
  0.000000  0.106996 -0.000000      0.004950
 -0.000000  0.111111  0.000000      0.004950
  0.000000  0.115226 -0.000000      0.004950
 -0.000000  0.119342  0.000000      0.004950
 -0.000000  0.123457  0.000000      0.004950
 -0.000000  0.127572  0.000000      0.004950
  0.000000  0.131687 -0.000000      0.004950
 -0.000000  0.135802  0.000000      0.004950
 -0.000000  0.139918  0.000000      0.004950
  0.000000  0.144033 -0.000000      0.004950
  0.000000  0.148148 -0.000000      0.004950
 -0.000000  0.152263  0.000000      0.004950
 -0.000000  0.156379  0.000000      0.004950
  0.000000  0.160494 -0.000000      0.004950
  0.000000  0.164609 -0.000000      0.004950
  0.000000  0.168724 -0.000000      0.004950
  0.000000  0.172840 -0.000000      0.004950
 -0.000000  0.176955  0.000000      0.004950
 -0.000000  0.181070  0.000000      0.004950
  0.000000  0.185185  0.000000      0.004950
  0.003086  0.185185  0.003086      0.004950
  0.006173  0.185185  0.006173      0.004950
  0.009259  0.185185  0.009259      0.004950
  0.012346  0.185185  0.012346      0.004950
  0.015432  0.185185  0.015432      0.004950
  0.018519  0.185185  0.018519      0.004950
  0.021605  0.185185  0.021605      0.004950
  0.024691  0.185185  0.024691      0.004950
  0.027778  0.185185  0.027778      0.004950
  0.030864  0.185185  0.030864      0.004950
  0.033951  0.185185  0.033951      0.004950
  0.037037  0.185185  0.037037      0.004950
  0.040123  0.185185  0.040123      0.004950
  0.043210  0.185185  0.043210      0.004950
  0.046296  0.185185  0.046296      0.004950
  0.138889  0.138889  0.000000      0.004950
  0.135995  0.135995 -0.000000      0.004950
  0.133102  0.133102 -0.000000      0.004950
  0.130208  0.130208 -0.000000      0.004950
  0.127315  0.127315 -0.000000      0.004950
  0.124421  0.124421  0.000000      0.004950
  0.121528  0.121528  0.000000      0.004950
  0.118634  0.118634  0.000000      0.004950
  0.115741  0.115741 -0.000000      0.004950
  0.112847  0.112847 -0.000000      0.004950
  0.109954  0.109954 -0.000000      0.004950
  0.107060  0.107060 -0.000000      0.004950
  0.104167  0.104167 -0.000000      0.004950
  0.101273  0.101273 -0.000000      0.004950
  0.098380  0.098380 -0.000000      0.004950
  0.095486  0.095486 -0.000000      0.004950
  0.092593  0.092593  0.000000      0.004950
  0.089699  0.089699  0.000000      0.004950
  0.086806  0.086806  0.000000      0.004950
  0.083912  0.083912  0.000000      0.004950
  0.081019  0.081019  0.000000      0.004950
  0.078125  0.078125  0.000000      0.004950
  0.075231  0.075231  0.000000      0.004950
  0.072338  0.072338  0.000000      0.004950
  0.069444  0.069444  0.000000      0.004950
  0.066551  0.066551 -0.000000      0.004950
  0.063657  0.063657 -0.000000      0.004950
  0.060764  0.060764  0.000000      0.004950
  0.057870  0.057870 -0.000000      0.004950
  0.054977  0.054977 -0.000000      0.004950
  0.052083  0.052083 -0.000000      0.004950
  0.049190  0.049190 -0.000000      0.004950
  0.046296  0.046296  0.000000      0.004950
  0.043403  0.043403  0.000000      0.004950
  0.040509  0.040509  0.000000      0.004950
  0.037616  0.037616  0.000000      0.004950
  0.034722  0.034722  0.000000      0.004950
  0.031829  0.031829 -0.000000      0.004950
  0.028935  0.028935 -0.000000      0.004950
  0.026042  0.026042 -0.000000      0.004950
  0.023148  0.023148  0.000000      0.004950
  0.020255  0.020255  0.000000      0.004950
  0.017361  0.017361  0.000000      0.004950
  0.014468  0.014468 -0.000000      0.004950
  0.011574  0.011574  0.000000      0.004950
  0.008681  0.008681  0.000000      0.004950
  0.005787  0.005787  0.000000      0.004950
  0.002894  0.002894  0.000000      0.004950
  0.000000  0.000000  0.000000      0.004950
  0.002374  0.002374  0.002374      0.004950
  0.004748  0.004748  0.004748      0.004950
  0.007123  0.007123  0.007123      0.004950
  0.009497  0.009497  0.009497      0.004950
  0.011871  0.011871  0.011871      0.004950
  0.014245  0.014245  0.014245      0.004950
  0.016619  0.016619  0.016619      0.004950
  0.018993  0.018993  0.018993      0.004950
  0.021368  0.021368  0.021368      0.004950
  0.023742  0.023742  0.023742      0.004950
  0.026116  0.026116  0.026116      0.004950
  0.028490  0.028490  0.028490      0.004950
  0.030864  0.030864  0.030864      0.004950
  0.033238  0.033238  0.033238      0.004950
  0.035613  0.035613  0.035613      0.004950
  0.037987  0.037987  0.037987      0.004950
  0.040361  0.040361  0.040361      0.004950
  0.042735  0.042735  0.042735      0.004950
  0.045109  0.045109  0.045109      0.004950
  0.047483  0.047483  0.047483      0.004950
  0.049858  0.049858  0.049858      0.004950
  0.052232  0.052232  0.052232      0.004950
  0.054606  0.054606  0.054606      0.004950
  0.056980  0.056980  0.056980      0.004950
  0.059354  0.059354  0.059354      0.004950
  0.061728  0.061728  0.061728      0.004950
  0.064103  0.064103  0.064103      0.004950
  0.066477  0.066477  0.066477      0.004950
  0.068851  0.068851  0.068851      0.004950
  0.071225  0.071225  0.071225      0.004950
  0.073599  0.073599  0.073599      0.004950
  0.075973  0.075973  0.075973      0.004950
  0.078348  0.078348  0.078348      0.004950
  0.080722  0.080722  0.080722      0.004950
  0.083096  0.083096  0.083096      0.004950
  0.085470  0.085470  0.085470      0.004950
  0.087844  0.087844  0.087844      0.004950
  0.090218  0.090218  0.090218      0.004950
  0.092593  0.092593  0.092593      0.004950
  0.092593  0.095579  0.089606      0.004950
  0.092593  0.098566  0.086619      0.004950
  0.092593  0.101553  0.083632      0.004950
  0.092593  0.104540  0.080645      0.004950
  0.092593  0.107527  0.077658      0.004950
  0.092593  0.110514  0.074671      0.004950
  0.092593  0.113501  0.071685      0.004950
  0.092593  0.116487  0.068698      0.004950
  0.092593  0.119474  0.065711      0.004950
  0.092593  0.122461  0.062724      0.004950
  0.092593  0.125448  0.059737      0.004950
  0.092593  0.128435  0.056750      0.004950
  0.092593  0.131422  0.053763      0.004950
  0.092593  0.134409  0.050777      0.004950
  0.092593  0.137395  0.047790      0.004950
  0.092593  0.140382  0.044803      0.004950
  0.092593  0.143369  0.041816      0.004950
  0.092593  0.146356  0.038829      0.004950
  0.092593  0.149343  0.035842      0.004950
  0.092593  0.152330  0.032855      0.004950
  0.092593  0.155317  0.029869      0.004950
  0.092593  0.158303  0.026882      0.004950
  0.092593  0.161290  0.023895      0.004950
  0.092593  0.164277  0.020908      0.004950
  0.092593  0.167264  0.017921      0.004950
  0.092593  0.170251  0.014934      0.004950
  0.092593  0.173238  0.011947      0.004950
  0.092593  0.176225  0.008961      0.004950
  0.092593  0.179211  0.005974      0.004950
  0.092593  0.182198  0.002987      0.004950
  0.092593  0.185185  0.000000      0.004950
  0.088384  0.185185 -0.000000      0.004950
  0.084175  0.185185  0.000000      0.004950
  0.079966  0.185185 -0.000000      0.004950
  0.075758  0.185185 -0.000000      0.004950
  0.071549  0.185185  0.000000      0.004950
  0.067340  0.185185 -0.000000      0.004950
  0.063131  0.185185 -0.000000      0.004950
  0.058923  0.185185  0.000000      0.004950
  0.054714  0.185185 -0.000000      0.004950
  0.050505  0.185185 -0.000000      0.004950
  0.046296  0.185185 -0.000000      0.004950
  0.042088  0.185185  0.000000      0.004950
  0.037879  0.185185  0.000000      0.004950
  0.033670  0.185185 -0.000000      0.004950
  0.029461  0.185185  0.000000      0.004950
  0.025253  0.185185  0.000000      0.004950
  0.021044  0.185185  0.000000      0.004950
  0.016835  0.185185  0.000000      0.004950
  0.012626  0.185185 -0.000000      0.004950
  0.008418  0.185185  0.000000      0.004950
  0.004209  0.185185 -0.000000      0.004950
  0.000000  0.185185  0.000000      0.004950



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




 Dimension of arrays:
   k-points           NKPTS =    202   k-points in BZ     NKDIM =    202   number of bands    NBANDS=      9
   number of dos      NEDOS =    100   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =   4096
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   3678
   dimension x,y,z NGX =    16 NGY =   16 NGZ =   16
   dimension x,y,z NGXF=    32 NGYF=   32 NGZF=   32
   support grid    NGXF=    32 NGYF=   32 NGZF=   32
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of   6.97,  6.97,  6.97 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  13.93, 13.93, 13.93 a.u.

 SYSTEM =  unknown system
 POSCAR =  # Compound: Si2. Old comment: Si2

 Startparameter for this run:
   NWRITE =      1    write-flag & timer
   PREC   = normal    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =     11    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
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  250.0 eV  18.37 Ry    4.29 a.u.   4.92  4.92  4.92*2*pi/ulx,y,z
   ENINI  =  250.0     initial cutoff
   ENAUG  =  322.1 eV  augmentation charge cutoff
   NELM   =    200;   NELMIN=  4; NELMDL=  0     # of ELM steps
   EDIFF  = 0.2E-05   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 = 0.2E-04   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    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   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    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=  -0.333E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  28.09
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights
   VCA    =   1.00
   NELECT =       8.0000    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 =     0;   SIGMA  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     68    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 = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.56E-07  absolut break condition
   DEPER  =   0.30     relativ break condition

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      19.68       132.83
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.962493  1.818849 12.604348  0.926393
  Thomas-Fermi vector in A             =   2.091957

 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      T    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     =    PS    GGA type
   LEXCH   =    14    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 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
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser 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

 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



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


 Static calculation
 charge density and potential remain constant during run
 spin polarized calculation
 RMM-DIIS sequential band-by-band and
  variant of blocked Davidson during initial phase
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 no mixing
 using additional bands            5
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces   (improved forces if not selfconsistent)
 use gradient corrections
 WARNING: stress and forces are not correct
  (second derivative of E(xc) not defined)
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.05


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


  energy-cutoff  :      250.00
  volume of cell :       39.37
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.700000000  2.700000000    -0.185185185  0.185185185  0.185185185
     2.700000000  0.000000000  2.700000000     0.185185185 -0.185185185  0.185185185
     2.700000000  2.700000000  0.000000000     0.185185185  0.185185185 -0.185185185

  length of vectors
     3.818376618  3.818376618  3.818376618     0.320750150  0.320750150  0.320750150



 k-points in units of 2pi/SCALE and weight: # No comment
   0.00000000  0.00000000  0.00000000       0.005
  -0.00000000  0.00411523  0.00000000       0.005
  -0.00000000  0.00823045  0.00000000       0.005
  -0.00000000  0.01234568  0.00000000       0.005
  -0.00000000  0.01646091  0.00000000       0.005
  -0.00000000  0.02057613  0.00000000       0.005
  -0.00000000  0.02469136  0.00000000       0.005
  -0.00000000  0.02880658  0.00000000       0.005
   0.00000000  0.03292181 -0.00000000       0.005
   0.00000000  0.03703704 -0.00000000       0.005
   0.00000000  0.04115226 -0.00000000       0.005
   0.00000000  0.04526749 -0.00000000       0.005
   0.00000000  0.04938272 -0.00000000       0.005
   0.00000000  0.05349794 -0.00000000       0.005
  -0.00000000  0.05761317  0.00000000       0.005
   0.00000000  0.06172840 -0.00000000       0.005
   0.00000000  0.06584362 -0.00000000       0.005
  -0.00000000  0.06995885  0.00000000       0.005
   0.00000000  0.07407407 -0.00000000       0.005
  -0.00000000  0.07818930  0.00000000       0.005
   0.00000000  0.08230453 -0.00000000       0.005
  -0.00000000  0.08641975  0.00000000       0.005
   0.00000000  0.09053498 -0.00000000       0.005
   0.00000000  0.09465021 -0.00000000       0.005
  -0.00000000  0.09876543  0.00000000       0.005
  -0.00000000  0.10288066  0.00000000       0.005
   0.00000000  0.10699588 -0.00000000       0.005
  -0.00000000  0.11111111  0.00000000       0.005
   0.00000000  0.11522634 -0.00000000       0.005
  -0.00000000  0.11934156  0.00000000       0.005
  -0.00000000  0.12345679  0.00000000       0.005
  -0.00000000  0.12757202  0.00000000       0.005
   0.00000000  0.13168724 -0.00000000       0.005
  -0.00000000  0.13580247  0.00000000       0.005
  -0.00000000  0.13991770  0.00000000       0.005
   0.00000000  0.14403292 -0.00000000       0.005
   0.00000000  0.14814815 -0.00000000       0.005
  -0.00000000  0.15226337  0.00000000       0.005
  -0.00000000  0.15637860  0.00000000       0.005
   0.00000000  0.16049383 -0.00000000       0.005
   0.00000000  0.16460905 -0.00000000       0.005
   0.00000000  0.16872428 -0.00000000       0.005
   0.00000000  0.17283951 -0.00000000       0.005
  -0.00000000  0.17695473  0.00000000       0.005
  -0.00000000  0.18106996  0.00000000       0.005
   0.00000000  0.18518519  0.00000000       0.005
   0.00308642  0.18518519  0.00308642       0.005
   0.00617284  0.18518519  0.00617284       0.005
   0.00925926  0.18518519  0.00925926       0.005
   0.01234568  0.18518518  0.01234568       0.005
   0.01543210  0.18518519  0.01543210       0.005
   0.01851852  0.18518519  0.01851852       0.005
   0.02160494  0.18518518  0.02160494       0.005
   0.02469136  0.18518519  0.02469136       0.005
   0.02777778  0.18518519  0.02777778       0.005
   0.03086420  0.18518519  0.03086420       0.005
   0.03395062  0.18518519  0.03395062       0.005
   0.03703704  0.18518519  0.03703704       0.005
   0.04012346  0.18518519  0.04012346       0.005
   0.04320988  0.18518519  0.04320988       0.005
   0.04629630  0.18518519  0.04629630       0.005
   0.13888889  0.13888889  0.00000000       0.005
   0.13599537  0.13599537 -0.00000000       0.005
   0.13310185  0.13310185 -0.00000000       0.005
   0.13020833  0.13020833 -0.00000000       0.005
   0.12731481  0.12731481 -0.00000000       0.005
   0.12442130  0.12442130  0.00000000       0.005
   0.12152778  0.12152778  0.00000000       0.005
   0.11863426  0.11863426  0.00000000       0.005
   0.11574074  0.11574074 -0.00000000       0.005
   0.11284722  0.11284722 -0.00000000       0.005
   0.10995370  0.10995370 -0.00000000       0.005
   0.10706019  0.10706019 -0.00000000       0.005
   0.10416667  0.10416667 -0.00000000       0.005
   0.10127315  0.10127315 -0.00000000       0.005
   0.09837963  0.09837963 -0.00000000       0.005
   0.09548611  0.09548611 -0.00000000       0.005
   0.09259259  0.09259259  0.00000000       0.005
   0.08969907  0.08969907  0.00000000       0.005
   0.08680556  0.08680556  0.00000000       0.005
   0.08391204  0.08391204  0.00000000       0.005
   0.08101852  0.08101852  0.00000000       0.005
   0.07812500  0.07812500  0.00000000       0.005
   0.07523148  0.07523148  0.00000000       0.005
   0.07233796  0.07233796  0.00000000       0.005
   0.06944444  0.06944444  0.00000000       0.005
   0.06655093  0.06655093 -0.00000000       0.005
   0.06365741  0.06365741 -0.00000000       0.005
   0.06076389  0.06076389  0.00000000       0.005
   0.05787037  0.05787037 -0.00000000       0.005
   0.05497685  0.05497685 -0.00000000       0.005
   0.05208333  0.05208333 -0.00000000       0.005
   0.04918981  0.04918981 -0.00000000       0.005
   0.04629630  0.04629630  0.00000000       0.005
   0.04340278  0.04340278  0.00000000       0.005
   0.04050926  0.04050926  0.00000000       0.005
   0.03761574  0.03761574  0.00000000       0.005
   0.03472222  0.03472222  0.00000000       0.005
   0.03182870  0.03182870 -0.00000000       0.005
   0.02893519  0.02893519 -0.00000000       0.005
   0.02604167  0.02604167 -0.00000000       0.005
   0.02314815  0.02314815  0.00000000       0.005
   0.02025463  0.02025463  0.00000000       0.005
   0.01736111  0.01736111  0.00000000       0.005
   0.01446759  0.01446759 -0.00000000       0.005
   0.01157407  0.01157407  0.00000000       0.005
   0.00868056  0.00868056  0.00000000       0.005
   0.00578704  0.00578704  0.00000000       0.005
   0.00289352  0.00289352  0.00000000       0.005
   0.00000000  0.00000000  0.00000000       0.005
   0.00237417  0.00237417  0.00237417       0.005
   0.00474834  0.00474834  0.00474834       0.005
   0.00712251  0.00712251  0.00712251       0.005
   0.00949668  0.00949668  0.00949668       0.005
   0.01187085  0.01187085  0.01187085       0.005
   0.01424501  0.01424501  0.01424501       0.005
   0.01661918  0.01661918  0.01661918       0.005
   0.01899335  0.01899335  0.01899335       0.005
   0.02136752  0.02136752  0.02136752       0.005
   0.02374169  0.02374169  0.02374169       0.005
   0.02611586  0.02611586  0.02611586       0.005
   0.02849003  0.02849003  0.02849003       0.005
   0.03086420  0.03086420  0.03086420       0.005
   0.03323837  0.03323837  0.03323837       0.005
   0.03561254  0.03561254  0.03561254       0.005
   0.03798670  0.03798670  0.03798670       0.005
   0.04036087  0.04036087  0.04036087       0.005
   0.04273504  0.04273504  0.04273504       0.005
   0.04510921  0.04510921  0.04510921       0.005
   0.04748338  0.04748338  0.04748338       0.005
   0.04985755  0.04985755  0.04985755       0.005
   0.05223172  0.05223172  0.05223172       0.005
   0.05460589  0.05460589  0.05460589       0.005
   0.05698006  0.05698006  0.05698006       0.005
   0.05935423  0.05935423  0.05935423       0.005
   0.06172839  0.06172839  0.06172839       0.005
   0.06410256  0.06410256  0.06410256       0.005
   0.06647673  0.06647673  0.06647673       0.005
   0.06885090  0.06885090  0.06885090       0.005
   0.07122507  0.07122507  0.07122507       0.005
   0.07359924  0.07359924  0.07359924       0.005
   0.07597341  0.07597341  0.07597341       0.005
   0.07834758  0.07834758  0.07834758       0.005
   0.08072175  0.08072175  0.08072175       0.005
   0.08309592  0.08309592  0.08309592       0.005
   0.08547009  0.08547009  0.08547009       0.005
   0.08784425  0.08784425  0.08784425       0.005
   0.09021842  0.09021842  0.09021842       0.005
   0.09259259  0.09259259  0.09259259       0.005
   0.09259259  0.09557945  0.08960573       0.005
   0.09259259  0.09856631  0.08661888       0.005
   0.09259259  0.10155317  0.08363202       0.005
   0.09259259  0.10454002  0.08064516       0.005
   0.09259259  0.10752688  0.07765830       0.005
   0.09259259  0.11051374  0.07467145       0.005
   0.09259259  0.11350060  0.07168459       0.005
   0.09259259  0.11648746  0.06869773       0.005
   0.09259259  0.11947431  0.06571087       0.005
   0.09259259  0.12246117  0.06272401       0.005
   0.09259259  0.12544803  0.05973716       0.005
   0.09259259  0.12843489  0.05675030       0.005
   0.09259259  0.13142174  0.05376344       0.005
   0.09259259  0.13440860  0.05077658       0.005
   0.09259259  0.13739546  0.04778973       0.005
   0.09259259  0.14038232  0.04480287       0.005
   0.09259259  0.14336918  0.04181601       0.005
   0.09259259  0.14635603  0.03882915       0.005
   0.09259259  0.14934289  0.03584229       0.005
   0.09259259  0.15232975  0.03285544       0.005
   0.09259259  0.15531661  0.02986858       0.005
   0.09259259  0.15830346  0.02688172       0.005
   0.09259259  0.16129032  0.02389486       0.005
   0.09259259  0.16427718  0.02090800       0.005
   0.09259259  0.16726404  0.01792115       0.005
   0.09259259  0.17025090  0.01493429       0.005
   0.09259259  0.17323775  0.01194743       0.005
   0.09259259  0.17622461  0.00896057       0.005
   0.09259259  0.17921147  0.00597372       0.005
   0.09259259  0.18219833  0.00298686       0.005
   0.09259259  0.18518519  0.00000000       0.005
   0.08838384  0.18518519 -0.00000000       0.005
   0.08417508  0.18518519  0.00000000       0.005
   0.07996633  0.18518519 -0.00000000       0.005
   0.07575758  0.18518519 -0.00000000       0.005
   0.07154882  0.18518519  0.00000000       0.005
   0.06734007  0.18518519 -0.00000000       0.005
   0.06313131  0.18518519  0.00000000       0.005
   0.05892256  0.18518519  0.00000000       0.005
   0.05471380  0.18518519 -0.00000000       0.005
   0.05050505  0.18518519 -0.00000000       0.005
   0.04629630  0.18518519 -0.00000000       0.005
   0.04208754  0.18518519  0.00000000       0.005
   0.03787879  0.18518519  0.00000000       0.005
   0.03367003  0.18518519 -0.00000000       0.005
   0.02946128  0.18518519  0.00000000       0.005
   0.02525253  0.18518519 -0.00000000       0.005
   0.02104377  0.18518519  0.00000000       0.005
   0.01683502  0.18518519  0.00000000       0.005
   0.01262626  0.18518519 -0.00000000       0.005
   0.00841751  0.18518519  0.00000000       0.005
   0.00420875  0.18518519 -0.00000000       0.005
   0.00000000  0.18518519  0.00000000       0.005

 k-points in reciprocal lattice and weights: # No comment
   0.00000000  0.00000000  0.00000000       0.005
   0.01111111 -0.00000000  0.01111111       0.005
   0.02222222 -0.00000000  0.02222222       0.005
   0.03333333 -0.00000000  0.03333333       0.005
   0.04444444 -0.00000000  0.04444444       0.005
   0.05555556  0.00000000  0.05555556       0.005
   0.06666667 -0.00000000  0.06666667       0.005
   0.07777778  0.00000000  0.07777778       0.005
   0.08888889 -0.00000000  0.08888889       0.005
   0.10000000  0.00000000  0.10000000       0.005
   0.11111111  0.00000000  0.11111111       0.005
   0.12222222 -0.00000000  0.12222222       0.005
   0.13333333 -0.00000000  0.13333333       0.005
   0.14444444  0.00000000  0.14444444       0.005
   0.15555556  0.00000000  0.15555556       0.005
   0.16666667 -0.00000000  0.16666667       0.005
   0.17777778 -0.00000000  0.17777778       0.005
   0.18888889 -0.00000000  0.18888889       0.005
   0.20000000  0.00000000  0.20000000       0.005
   0.21111111 -0.00000000  0.21111111       0.005
   0.22222222  0.00000000  0.22222222       0.005
   0.23333333  0.00000000  0.23333333       0.005
   0.24444444 -0.00000000  0.24444444       0.005
   0.25555556 -0.00000000  0.25555556       0.005
   0.26666667 -0.00000000  0.26666667       0.005
   0.27777778 -0.00000000  0.27777778       0.005
   0.28888889  0.00000000  0.28888889       0.005
   0.30000000  0.00000000  0.30000000       0.005
   0.31111111  0.00000000  0.31111111       0.005
   0.32222222  0.00000000  0.32222222       0.005
   0.33333333 -0.00000000  0.33333333       0.005
   0.34444444 -0.00000000  0.34444444       0.005
   0.35555556 -0.00000000  0.35555556       0.005
   0.36666667 -0.00000000  0.36666667       0.005
   0.37777778 -0.00000000  0.37777778       0.005
   0.38888889 -0.00000000  0.38888889       0.005
   0.40000000  0.00000000  0.40000000       0.005
   0.41111111  0.00000000  0.41111111       0.005
   0.42222222 -0.00000000  0.42222222       0.005
   0.43333333  0.00000000  0.43333333       0.005
   0.44444444  0.00000000  0.44444444       0.005
   0.45555556  0.00000000  0.45555556       0.005
   0.46666667  0.00000000  0.46666667       0.005
   0.47777778  0.00000000  0.47777778       0.005
   0.48888889 -0.00000000  0.48888889       0.005
   0.50000000  0.00000000  0.50000000       0.005
   0.50833333  0.01666667  0.50833333       0.005
   0.51666667  0.03333333  0.51666667       0.005
   0.52500000  0.05000000  0.52500000       0.005
   0.53333333  0.06666667  0.53333333       0.005
   0.54166667  0.08333333  0.54166667       0.005
   0.55000000  0.10000000  0.55000000       0.005
   0.55833333  0.11666667  0.55833333       0.005
   0.56666667  0.13333333  0.56666667       0.005
   0.57500000  0.15000000  0.57500000       0.005
   0.58333333  0.16666667  0.58333333       0.005
   0.59166667  0.18333333  0.59166667       0.005
   0.60000000  0.20000000  0.60000000       0.005
   0.60833333  0.21666667  0.60833333       0.005
   0.61666667  0.23333333  0.61666667       0.005
   0.62500000  0.25000000  0.62500000       0.005
   0.37500000  0.37500000  0.75000000       0.005
   0.36718750  0.36718750  0.73437500       0.005
   0.35937500  0.35937500  0.71875000       0.005
   0.35156250  0.35156250  0.70312500       0.005
   0.34375000  0.34375000  0.68750000       0.005
   0.33593750  0.33593750  0.67187500       0.005
   0.32812500  0.32812500  0.65625000       0.005
   0.32031250  0.32031250  0.64062500       0.005
   0.31250000  0.31250000  0.62500000       0.005
   0.30468750  0.30468750  0.60937500       0.005
   0.29687500  0.29687500  0.59375000       0.005
   0.28906250  0.28906250  0.57812500       0.005
   0.28125000  0.28125000  0.56250000       0.005
   0.27343750  0.27343750  0.54687500       0.005
   0.26562500  0.26562500  0.53125000       0.005
   0.25781250  0.25781250  0.51562500       0.005
   0.25000000  0.25000000  0.50000000       0.005
   0.24218750  0.24218750  0.48437500       0.005
   0.23437500  0.23437500  0.46875000       0.005
   0.22656250  0.22656250  0.45312500       0.005
   0.21875000  0.21875000  0.43750000       0.005
   0.21093750  0.21093750  0.42187500       0.005
   0.20312500  0.20312500  0.40625000       0.005
   0.19531250  0.19531250  0.39062500       0.005
   0.18750000  0.18750000  0.37500000       0.005
   0.17968750  0.17968750  0.35937500       0.005
   0.17187500  0.17187500  0.34375000       0.005
   0.16406250  0.16406250  0.32812500       0.005
   0.15625000  0.15625000  0.31250000       0.005
   0.14843750  0.14843750  0.29687500       0.005
   0.14062500  0.14062500  0.28125000       0.005
   0.13281250  0.13281250  0.26562500       0.005
   0.12500000  0.12500000  0.25000000       0.005
   0.11718750  0.11718750  0.23437500       0.005
   0.10937500  0.10937500  0.21875000       0.005
   0.10156250  0.10156250  0.20312500       0.005
   0.09375000  0.09375000  0.18750000       0.005
   0.08593750  0.08593750  0.17187500       0.005
   0.07812500  0.07812500  0.15625000       0.005
   0.07031250  0.07031250  0.14062500       0.005
   0.06250000  0.06250000  0.12500000       0.005
   0.05468750  0.05468750  0.10937500       0.005
   0.04687500  0.04687500  0.09375000       0.005
   0.03906250  0.03906250  0.07812500       0.005
   0.03125000  0.03125000  0.06250000       0.005
   0.02343750  0.02343750  0.04687500       0.005
   0.01562500  0.01562500  0.03125000       0.005
   0.00781250  0.00781250  0.01562500       0.005
   0.00000000  0.00000000  0.00000000       0.005
   0.01282051  0.01282051  0.01282051       0.005
   0.02564103  0.02564103  0.02564103       0.005
   0.03846154  0.03846154  0.03846154       0.005
   0.05128205  0.05128205  0.05128205       0.005
   0.06410256  0.06410256  0.06410256       0.005
   0.07692308  0.07692308  0.07692308       0.005
   0.08974359  0.08974359  0.08974359       0.005
   0.10256410  0.10256410  0.10256410       0.005
   0.11538461  0.11538461  0.11538461       0.005
   0.12820513  0.12820513  0.12820513       0.005
   0.14102564  0.14102564  0.14102564       0.005
   0.15384615  0.15384615  0.15384615       0.005
   0.16666667  0.16666667  0.16666667       0.005
   0.17948718  0.17948718  0.17948718       0.005
   0.19230769  0.19230769  0.19230769       0.005
   0.20512821  0.20512821  0.20512821       0.005
   0.21794872  0.21794872  0.21794872       0.005
   0.23076923  0.23076923  0.23076923       0.005
   0.24358974  0.24358974  0.24358974       0.005
   0.25641026  0.25641026  0.25641026       0.005
   0.26923077  0.26923077  0.26923077       0.005
   0.28205128  0.28205128  0.28205128       0.005
   0.29487179  0.29487179  0.29487179       0.005
   0.30769231  0.30769231  0.30769231       0.005
   0.32051282  0.32051282  0.32051282       0.005
   0.33333333  0.33333333  0.33333333       0.005
   0.34615385  0.34615385  0.34615385       0.005
   0.35897436  0.35897436  0.35897436       0.005
   0.37179487  0.37179487  0.37179487       0.005
   0.38461538  0.38461538  0.38461538       0.005
   0.39743590  0.39743590  0.39743590       0.005
   0.41025641  0.41025641  0.41025641       0.005
   0.42307692  0.42307692  0.42307692       0.005
   0.43589744  0.43589744  0.43589744       0.005
   0.44871795  0.44871795  0.44871795       0.005
   0.46153846  0.46153846  0.46153846       0.005
   0.47435897  0.47435897  0.47435897       0.005
   0.48717949  0.48717949  0.48717949       0.005
   0.50000000  0.50000000  0.50000000       0.005
   0.50000000  0.49193548  0.50806452       0.005
   0.50000000  0.48387097  0.51612903       0.005
   0.50000000  0.47580645  0.52419355       0.005
   0.50000000  0.46774193  0.53225806       0.005
   0.50000000  0.45967742  0.54032258       0.005
   0.50000000  0.45161290  0.54838710       0.005
   0.50000000  0.44354839  0.55645161       0.005
   0.50000000  0.43548387  0.56451613       0.005
   0.50000000  0.42741936  0.57258065       0.005
   0.50000000  0.41935484  0.58064516       0.005
   0.50000000  0.41129032  0.58870968       0.005
   0.50000000  0.40322581  0.59677419       0.005
   0.50000000  0.39516129  0.60483871       0.005
   0.50000000  0.38709677  0.61290323       0.005
   0.50000000  0.37903226  0.62096774       0.005
   0.50000000  0.37096774  0.62903226       0.005
   0.50000000  0.36290323  0.63709677       0.005
   0.50000000  0.35483871  0.64516129       0.005
   0.50000000  0.34677419  0.65322581       0.005
   0.50000000  0.33870968  0.66129032       0.005
   0.50000000  0.33064516  0.66935484       0.005
   0.50000000  0.32258064  0.67741935       0.005
   0.50000000  0.31451613  0.68548387       0.005
   0.50000000  0.30645161  0.69354839       0.005
   0.50000000  0.29838710  0.70161290       0.005
   0.50000000  0.29032258  0.70967742       0.005
   0.50000000  0.28225807  0.71774194       0.005
   0.50000000  0.27419355  0.72580645       0.005
   0.50000000  0.26612903  0.73387097       0.005
   0.50000000  0.25806452  0.74193548       0.005
   0.50000000  0.25000000  0.75000000       0.005
   0.50000000  0.23863636  0.73863636       0.005
   0.50000000  0.22727273  0.72727273       0.005
   0.50000000  0.21590909  0.71590909       0.005
   0.50000000  0.20454545  0.70454545       0.005
   0.50000000  0.19318182  0.69318182       0.005
   0.50000000  0.18181818  0.68181818       0.005
   0.50000000  0.17045455  0.67045455       0.005
   0.50000000  0.15909091  0.65909091       0.005
   0.50000000  0.14772727  0.64772727       0.005
   0.50000000  0.13636364  0.63636364       0.005
   0.50000000  0.12500000  0.62500000       0.005
   0.50000000  0.11363636  0.61363636       0.005
   0.50000000  0.10227273  0.60227273       0.005
   0.50000000  0.09090909  0.59090909       0.005
   0.50000000  0.07954546  0.57954545       0.005
   0.50000000  0.06818182  0.56818182       0.005
   0.50000000  0.05681818  0.55681818       0.005
   0.50000000  0.04545454  0.54545455       0.005
   0.50000000  0.03409091  0.53409091       0.005
   0.50000000  0.02272727  0.52272727       0.005
   0.50000000  0.01136364  0.51136364       0.005
   0.50000000  0.00000000  0.50000000       0.005

 position of ions in fractional coordinates (direct lattice)
   0.50000000  0.50000000  0.50000000
   0.75000000  0.75000000  0.75000000

 position of ions in cartesian coordinates  (Angst):
   2.70000000  2.70000000  2.70000000
   4.05000000  4.05000000  4.05000000



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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:     339
 k-point   2 :   0.0111-0.0000 0.0111  plane waves:     339
 k-point   3 :   0.0222-0.0000 0.0222  plane waves:     339
 k-point   4 :   0.0333-0.0000 0.0333  plane waves:     335
 k-point   5 :   0.0444-0.0000 0.0444  plane waves:     335
 k-point   6 :   0.0556 0.0000 0.0556  plane waves:     335
 k-point   7 :   0.0667-0.0000 0.0667  plane waves:     335
 k-point   8 :   0.0778 0.0000 0.0778  plane waves:     335
 k-point   9 :   0.0889-0.0000 0.0889  plane waves:     335
 k-point  10 :   0.1000 0.0000 0.1000  plane waves:     339
 k-point  11 :   0.1111 0.0000 0.1111  plane waves:     339
 k-point  12 :   0.1222-0.0000 0.1222  plane waves:     339
 k-point  13 :   0.1333-0.0000 0.1333  plane waves:     347
 k-point  14 :   0.1444 0.0000 0.1444  plane waves:     347
 k-point  15 :   0.1556 0.0000 0.1556  plane waves:     351
 k-point  16 :   0.1667-0.0000 0.1667  plane waves:     351
 k-point  17 :   0.1778-0.0000 0.1778  plane waves:     351
 k-point  18 :   0.1889-0.0000 0.1889  plane waves:     347
 k-point  19 :   0.2000 0.0000 0.2000  plane waves:     347
 k-point  20 :   0.2111-0.0000 0.2111  plane waves:     347
 k-point  21 :   0.2222 0.0000 0.2222  plane waves:     347
 k-point  22 :   0.2333 0.0000 0.2333  plane waves:     347
 k-point  23 :   0.2444-0.0000 0.2444  plane waves:     351
 k-point  24 :   0.2556-0.0000 0.2556  plane waves:     351
 k-point  25 :   0.2667-0.0000 0.2667  plane waves:     347
 k-point  26 :   0.2778-0.0000 0.2778  plane waves:     347
 k-point  27 :   0.2889 0.0000 0.2889  plane waves:     347
 k-point  28 :   0.3000 0.0000 0.3000  plane waves:     347
 k-point  29 :   0.3111 0.0000 0.3111  plane waves:     347
 k-point  30 :   0.3222 0.0000 0.3222  plane waves:     347
 k-point  31 :   0.3333-0.0000 0.3333  plane waves:     355
 k-point  32 :   0.3444-0.0000 0.3444  plane waves:     351
 k-point  33 :   0.3556-0.0000 0.3556  plane waves:     351
 k-point  34 :   0.3667-0.0000 0.3667  plane waves:     351
 k-point  35 :   0.3778-0.0000 0.3778  plane waves:     351
 k-point  36 :   0.3889-0.0000 0.3889  plane waves:     351
 k-point  37 :   0.4000 0.0000 0.4000  plane waves:     359
 k-point  38 :   0.4111 0.0000 0.4111  plane waves:     351
 k-point  39 :   0.4222-0.0000 0.4222  plane waves:     351
 k-point  40 :   0.4333 0.0000 0.4333  plane waves:     351
 k-point  41 :   0.4444 0.0000 0.4444  plane waves:     351
 k-point  42 :   0.4556 0.0000 0.4556  plane waves:     343
 k-point  43 :   0.4667 0.0000 0.4667  plane waves:     343
 k-point  44 :   0.4778 0.0000 0.4778  plane waves:     343
 k-point  45 :   0.4889-0.0000 0.4889  plane waves:     342
 k-point  46 :   0.5000 0.0000 0.5000  plane waves:     342
 k-point  47 :   0.5083 0.0167 0.5083  plane waves:     342
 k-point  48 :   0.5167 0.0333 0.5167  plane waves:     342
 k-point  49 :   0.5250 0.0500 0.5250  plane waves:     346
 k-point  50 :   0.5333 0.0667 0.5333  plane waves:     346
 k-point  51 :   0.5417 0.0833 0.5417  plane waves:     351
 k-point  52 :   0.5500 0.1000 0.5500  plane waves:     357
 k-point  53 :   0.5583 0.1167 0.5583  plane waves:     357
 k-point  54 :   0.5667 0.1333 0.5667  plane waves:     359
 k-point  55 :   0.5750 0.1500 0.5750  plane waves:     359
 k-point  56 :   0.5833 0.1667 0.5833  plane waves:     359
 k-point  57 :   0.5917 0.1833 0.5917  plane waves:     359
 k-point  58 :   0.6000 0.2000 0.6000  plane waves:     359
 k-point  59 :   0.6083 0.2167 0.6083  plane waves:     359
 k-point  60 :   0.6167 0.2333 0.6167  plane waves:     363
 k-point  61 :   0.6250 0.2500 0.6250  plane waves:     363
 k-point  62 :   0.3750 0.3750 0.7500  plane waves:     363
 k-point  63 :   0.3672 0.3672 0.7344  plane waves:     363
 k-point  64 :   0.3594 0.3594 0.7188  plane waves:     355
 k-point  65 :   0.3516 0.3516 0.7031  plane waves:     353
 k-point  66 :   0.3438 0.3438 0.6875  plane waves:     353
 k-point  67 :   0.3359 0.3359 0.6719  plane waves:     353
 k-point  68 :   0.3281 0.3281 0.6562  plane waves:     353
 k-point  69 :   0.3203 0.3203 0.6406  plane waves:     353
 k-point  70 :   0.3125 0.3125 0.6250  plane waves:     357
 k-point  71 :   0.3047 0.3047 0.6094  plane waves:     357
 k-point  72 :   0.2969 0.2969 0.5938  plane waves:     357
 k-point  73 :   0.2891 0.2891 0.5781  plane waves:     357
 k-point  74 :   0.2812 0.2812 0.5625  plane waves:     357
 k-point  75 :   0.2734 0.2734 0.5469  plane waves:     351
 k-point  76 :   0.2656 0.2656 0.5312  plane waves:     351
 k-point  77 :   0.2578 0.2578 0.5156  plane waves:     351
 k-point  78 :   0.2500 0.2500 0.5000  plane waves:     343
 k-point  79 :   0.2422 0.2422 0.4844  plane waves:     351
 k-point  80 :   0.2344 0.2344 0.4688  plane waves:     355
 k-point  81 :   0.2266 0.2266 0.4531  plane waves:     355
 k-point  82 :   0.2188 0.2188 0.4375  plane waves:     355
 k-point  83 :   0.2109 0.2109 0.4219  plane waves:     357
 k-point  84 :   0.2031 0.2031 0.4062  plane waves:     357
 k-point  85 :   0.1953 0.1953 0.3906  plane waves:     353
 k-point  86 :   0.1875 0.1875 0.3750  plane waves:     353
 k-point  87 :   0.1797 0.1797 0.3594  plane waves:     353
 k-point  88 :   0.1719 0.1719 0.3438  plane waves:     349
 k-point  89 :   0.1641 0.1641 0.3281  plane waves:     353
 k-point  90 :   0.1562 0.1562 0.3125  plane waves:     353
 k-point  91 :   0.1484 0.1484 0.2969  plane waves:     349
 k-point  92 :   0.1406 0.1406 0.2812  plane waves:     349
 k-point  93 :   0.1328 0.1328 0.2656  plane waves:     353
 k-point  94 :   0.1250 0.1250 0.2500  plane waves:     353
 k-point  95 :   0.1172 0.1172 0.2344  plane waves:     353
 k-point  96 :   0.1094 0.1094 0.2188  plane waves:     345
 k-point  97 :   0.1016 0.1016 0.2031  plane waves:     345
 k-point  98 :   0.0938 0.0938 0.1875  plane waves:     345
 k-point  99 :   0.0859 0.0859 0.1719  plane waves:     343
 k-point 100 :   0.0781 0.0781 0.1562  plane waves:     339
 k-point 101 :   0.0703 0.0703 0.1406  plane waves:     339
 k-point 102 :   0.0625 0.0625 0.1250  plane waves:     337
 k-point 103 :   0.0547 0.0547 0.1094  plane waves:     337
 k-point 104 :   0.0469 0.0469 0.0938  plane waves:     337
 k-point 105 :   0.0391 0.0391 0.0781  plane waves:     337
 k-point 106 :   0.0312 0.0312 0.0625  plane waves:     337
 k-point 107 :   0.0234 0.0234 0.0469  plane waves:     337
 k-point 108 :   0.0156 0.0156 0.0312  plane waves:     337
 k-point 109 :   0.0078 0.0078 0.0156  plane waves:     339
 k-point 110 :   0.0000 0.0000 0.0000  plane waves:     339
 k-point 111 :   0.0128 0.0128 0.0128  plane waves:     339
 k-point 112 :   0.0256 0.0256 0.0256  plane waves:     338
 k-point 113 :   0.0385 0.0385 0.0385  plane waves:     338
 k-point 114 :   0.0513 0.0513 0.0513  plane waves:     338
 k-point 115 :   0.0641 0.0641 0.0641  plane waves:     335
 k-point 116 :   0.0769 0.0769 0.0769  plane waves:     335
 k-point 117 :   0.0897 0.0897 0.0897  plane waves:     335
 k-point 118 :   0.1026 0.1026 0.1026  plane waves:     335
 k-point 119 :   0.1154 0.1154 0.1154  plane waves:     335
 k-point 120 :   0.1282 0.1282 0.1282  plane waves:     338
 k-point 121 :   0.1410 0.1410 0.1410  plane waves:     338
 k-point 122 :   0.1538 0.1538 0.1538  plane waves:     344
 k-point 123 :   0.1667 0.1667 0.1667  plane waves:     344
 k-point 124 :   0.1795 0.1795 0.1795  plane waves:     344
 k-point 125 :   0.1923 0.1923 0.1923  plane waves:     356
 k-point 126 :   0.2051 0.2051 0.2051  plane waves:     356
 k-point 127 :   0.2179 0.2179 0.2179  plane waves:     353
 k-point 128 :   0.2308 0.2308 0.2308  plane waves:     353
 k-point 129 :   0.2436 0.2436 0.2436  plane waves:     350
 k-point 130 :   0.2564 0.2564 0.2564  plane waves:     350
 k-point 131 :   0.2692 0.2692 0.2692  plane waves:     350
 k-point 132 :   0.2821 0.2821 0.2821  plane waves:     353
 k-point 133 :   0.2949 0.2949 0.2949  plane waves:     353
 k-point 134 :   0.3077 0.3077 0.3077  plane waves:     353
 k-point 135 :   0.3205 0.3205 0.3205  plane waves:     353
 k-point 136 :   0.3333 0.3333 0.3333  plane waves:     359
 k-point 137 :   0.3462 0.3462 0.3462  plane waves:     353
 k-point 138 :   0.3590 0.3590 0.3590  plane waves:     353
 k-point 139 :   0.3718 0.3718 0.3718  plane waves:     353
 k-point 140 :   0.3846 0.3846 0.3846  plane waves:     353
 k-point 141 :   0.3974 0.3974 0.3974  plane waves:     353
 k-point 142 :   0.4103 0.4103 0.4103  plane waves:     353
 k-point 143 :   0.4231 0.4231 0.4231  plane waves:     353
 k-point 144 :   0.4359 0.4359 0.4359  plane waves:     356
 k-point 145 :   0.4487 0.4487 0.4487  plane waves:     356
 k-point 146 :   0.4615 0.4615 0.4615  plane waves:     356
 k-point 147 :   0.4744 0.4744 0.4744  plane waves:     356
 k-point 148 :   0.4872 0.4872 0.4872  plane waves:     344
 k-point 149 :   0.5000 0.5000 0.5000  plane waves:     344
 k-point 150 :   0.5000 0.4919 0.5081  plane waves:     344
 k-point 151 :   0.5000 0.4839 0.5161  plane waves:     350
 k-point 152 :   0.5000 0.4758 0.5242  plane waves:     352
 k-point 153 :   0.5000 0.4677 0.5323  plane waves:     352
 k-point 154 :   0.5000 0.4597 0.5403  plane waves:     356
 k-point 155 :   0.5000 0.4516 0.5484  plane waves:     356
 k-point 156 :   0.5000 0.4435 0.5565  plane waves:     354
 k-point 157 :   0.5000 0.4355 0.5645  plane waves:     356
 k-point 158 :   0.5000 0.4274 0.5726  plane waves:     356
 k-point 159 :   0.5000 0.4194 0.5806  plane waves:     358
 k-point 160 :   0.5000 0.4113 0.5887  plane waves:     358
 k-point 161 :   0.5000 0.4032 0.5968  plane waves:     358
 k-point 162 :   0.5000 0.3952 0.6048  plane waves:     360
 k-point 163 :   0.5000 0.3871 0.6129  plane waves:     362
 k-point 164 :   0.5000 0.3790 0.6210  plane waves:     358
 k-point 165 :   0.5000 0.3710 0.6290  plane waves:     358
 k-point 166 :   0.5000 0.3629 0.6371  plane waves:     358
 k-point 167 :   0.5000 0.3548 0.6452  plane waves:     360
 k-point 168 :   0.5000 0.3468 0.6532  plane waves:     358
 k-point 169 :   0.5000 0.3387 0.6613  plane waves:     364
 k-point 170 :   0.5000 0.3306 0.6694  plane waves:     366
 k-point 171 :   0.5000 0.3226 0.6774  plane waves:     364
 k-point 172 :   0.5000 0.3145 0.6855  plane waves:     362
 k-point 173 :   0.5000 0.3065 0.6935  plane waves:     364
 k-point 174 :   0.5000 0.2984 0.7016  plane waves:     364
 k-point 175 :   0.5000 0.2903 0.7097  plane waves:     364
 k-point 176 :   0.5000 0.2823 0.7177  plane waves:     366
 k-point 177 :   0.5000 0.2742 0.7258  plane waves:     360
 k-point 178 :   0.5000 0.2661 0.7339  plane waves:     360
 k-point 179 :   0.5000 0.2581 0.7419  plane waves:     360
 k-point 180 :   0.5000 0.2500 0.7500  plane waves:     360
 k-point 181 :   0.5000 0.2386 0.7386  plane waves:     360
 k-point 182 :   0.5000 0.2273 0.7273  plane waves:     360
 k-point 183 :   0.5000 0.2159 0.7159  plane waves:     360
 k-point 184 :   0.5000 0.2045 0.7045  plane waves:     364
 k-point 185 :   0.5000 0.1932 0.6932  plane waves:     356
 k-point 186 :   0.5000 0.1818 0.6818  plane waves:     360
 k-point 187 :   0.5000 0.1705 0.6705  plane waves:     360
 k-point 188 :   0.5000 0.1591 0.6591  plane waves:     360
 k-point 189 :   0.5000 0.1477 0.6477  plane waves:     360
 k-point 190 :   0.5000 0.1364 0.6364  plane waves:     362
 k-point 191 :   0.5000 0.1250 0.6250  plane waves:     358
 k-point 192 :   0.5000 0.1136 0.6136  plane waves:     358
 k-point 193 :   0.5000 0.1023 0.6023  plane waves:     358
 k-point 194 :   0.5000 0.0909 0.5909  plane waves:     358
 k-point 195 :   0.5000 0.0795 0.5795  plane waves:     358
 k-point 196 :   0.5000 0.0682 0.5682  plane waves:     348
 k-point 197 :   0.5000 0.0568 0.5568  plane waves:     348
 k-point 198 :   0.5000 0.0455 0.5455  plane waves:     346
 k-point 199 :   0.5000 0.0341 0.5341  plane waves:     346
 k-point 200 :   0.5000 0.0227 0.5227  plane waves:     346
 k-point 201 :   0.5000 0.0114 0.5114  plane waves:     342
 k-point 202 :   0.5000 0.0000 0.5000  plane waves:     342

 maximum and minimum number of plane-waves per node :       366      335

 maximum number of plane-waves:       366
 maximum index in each direction:
   IXMAX=    4   IYMAX=    4   IZMAX=    4
   IXMIN=   -5   IYMIN=   -5   IZMIN=   -5


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


 total amount of memory used by VASP MPI-rank0    60971. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       4743. kBytes
   fftplans  :       1184. kBytes
   grid      :       2809. kBytes
   one-center:         12. kBytes
   wavefun   :      22223. kBytes

     INWAV:  cpu time    0.0000: real time    0.0000
 initial charge density was supplied:
 number of electron       7.9999994 magnetization      -0.0000087
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         3367 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.521
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0002: real time    0.0002


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


    POTLOK:  cpu time    0.0121: real time    0.0123
    SETDIJ:  cpu time    0.1566: real time    0.1604
     EDDAV:  cpu time    0.5631: real time    0.5765
       DOS:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time    0.7337: real time    0.7513

 eigenvalue-minimisations  :  7386
 total energy-change (2. order) : 0.4154091E+01  (-0.2088342E+03)
 number of electron       7.9999994 magnetization      -0.0000087
 augmentation part        7.9999994 magnetization      -0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.42052313
  Ewald energy   TEWEN  =      -229.83332229
  -Hartree energ DENC   =       -14.43098437
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.76614859
  PAW double counting   =        74.68422079      -40.34271407
  entropy T*S    EENTRO =        -0.00129314
  eigenvalues    EBANDS =        21.43826676
  atomic energy  EATOM  =       205.98554261
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         4.15409082 eV

  energy without entropy =        4.15538396  energy(sigma->0) =        4.15473739


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




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


     EDDAV:  cpu time    0.7628: real time    0.7799
       DOS:  cpu time    0.0016: real time    0.0016
    --------------------------------------------
      LOOP:  cpu time    0.7643: real time    0.7815

 eigenvalue-minimisations  : 10940
 total energy-change (2. order) :-0.1145507E+02  (-0.1080920E+02)
 number of electron       7.9999994 magnetization      -0.0000087
 augmentation part        7.9999994 magnetization      -0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.42052313
  Ewald energy   TEWEN  =      -229.83332229
  -Hartree energ DENC   =       -14.43098437
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.76614859
  PAW double counting   =        74.68422079      -40.34271407
  entropy T*S    EENTRO =        -0.00036702
  eigenvalues    EBANDS =         9.98227041
  atomic energy  EATOM  =       205.98554261
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.30097940 eV

  energy without entropy =       -7.30061238  energy(sigma->0) =       -7.30079589


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




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


     EDDAV:  cpu time    0.6206: real time    0.6345
       DOS:  cpu time    0.0007: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time    0.6213: real time    0.6352

 eigenvalue-minimisations  :  8919
 total energy-change (2. order) :-0.2439123E+00  (-0.2418676E+00)
 number of electron       7.9999994 magnetization      -0.0000087
 augmentation part        7.9999994 magnetization      -0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.42052313
  Ewald energy   TEWEN  =      -229.83332229
  -Hartree energ DENC   =       -14.43098437
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.76614859
  PAW double counting   =        74.68422079      -40.34271407
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.73799114
  atomic energy  EATOM  =       205.98554261
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.54489166 eV

  energy without entropy =       -7.54489166  energy(sigma->0) =       -7.54489166


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




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


     EDDAV:  cpu time    0.9068: real time    0.9273
       DOS:  cpu time    0.0006: real time    0.0006
    --------------------------------------------
      LOOP:  cpu time    0.9074: real time    0.9279

 eigenvalue-minimisations  : 11074
 total energy-change (2. order) :-0.1163774E-02  (-0.1163666E-02)
 number of electron       7.9999994 magnetization      -0.0000087
 augmentation part        7.9999994 magnetization      -0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.42052313
  Ewald energy   TEWEN  =      -229.83332229
  -Hartree energ DENC   =       -14.43098437
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.76614859
  PAW double counting   =        74.68422079      -40.34271407
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.73682736
  atomic energy  EATOM  =       205.98554261
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.54605543 eV

  energy without entropy =       -7.54605543  energy(sigma->0) =       -7.54605543


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




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


     EDDAV:  cpu time    0.7114: real time    0.7274
       DOS:  cpu time    0.0009: real time    0.0009
    --------------------------------------------
      LOOP:  cpu time    0.7122: real time    0.7283

 eigenvalue-minimisations  :  9325
 total energy-change (2. order) :-0.3422957E-05  (-0.3422438E-05)
 number of electron       7.9999994 magnetization      -0.0000087
 augmentation part        7.9999994 magnetization      -0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.42052313
  Ewald energy   TEWEN  =      -229.83332229
  -Hartree energ DENC   =       -14.43098437
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.76614859
  PAW double counting   =        74.68422079      -40.34271407
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.73682394
  atomic energy  EATOM  =       205.98554261
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.54605885 eV

  energy without entropy =       -7.54605885  energy(sigma->0) =       -7.54605885


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




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


    EDDIAG:  cpu time    0.1448: real time    0.1481
  RMM-DIIS:  cpu time    0.3243: real time    0.3316
    ORTHCH:  cpu time    0.0075: real time    0.0076
       DOS:  cpu time    0.0008: real time    0.0008
    --------------------------------------------
      LOOP:  cpu time    0.4774: real time    0.4881

 eigenvalue-minimisations  :  3432
 total energy-change (2. order) :-0.2076780E-07  (-0.2065617E-07)
 number of electron       7.9999994 magnetization      -0.0000087
 augmentation part        7.9999994 magnetization      -0.0000087

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.42052313
  Ewald energy   TEWEN  =      -229.83332229
  -Hartree energ DENC   =       -14.43098437
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -16.76614859
  PAW double counting   =        74.68422079      -40.34271407
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.73682392
  atomic energy  EATOM  =       205.98554261
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.54605887 eV

  energy without entropy =       -7.54605887  energy(sigma->0) =       -7.54605887


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




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.8420       2 -82.8420



 E-fermi :   6.1978     XC(G=0):  -9.6177     alpha+bet :-12.1854

 Fermi energy:         6.1978103311

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1      -6.1421      1.00000
      2       5.9788      1.00000
      3       5.9788      1.00000
      4       5.9788      1.00000
      5       8.5027      0.00000
      6       8.5027      0.00000
      7       8.5027      0.00000
      8       9.4878      0.00000
      9      13.7373      0.00000

 k-point     2 :       0.0111   -0.0000    0.0111
  band No.  band energies     occupation
      1      -6.1399      1.00000
      2       5.9641      1.00000
      3       5.9689      1.00000
      4       5.9689      1.00000
      5       8.4969      0.00000
      6       8.5153      0.00000
      7       8.5153      0.00000
      8       9.5022      0.00000
      9      13.7396      0.00000

 k-point     3 :       0.0222   -0.0000    0.0222
  band No.  band energies     occupation
      1      -6.1333      1.00000
      2       5.9209      1.00000
      3       5.9396      1.00000
      4       5.9396      1.00000
      5       8.4797      0.00000
      6       8.5527      0.00000
      7       8.5527      0.00000
      8       9.5445      0.00000
      9      13.6625      0.00000

 k-point     4 :       0.0333   -0.0000    0.0333
  band No.  band energies     occupation
      1      -6.1222      1.00000
      2       5.8521      1.00000
      3       5.8936      1.00000
      4       5.8936      1.00000
      5       8.4516      0.00000
      6       8.6135      0.00000
      7       8.6135      0.00000
      8       9.6124      0.00000
      9      13.6037      0.00000

 k-point     5 :       0.0444   -0.0000    0.0444
  band No.  band energies     occupation
      1      -6.1068      1.00000
      2       5.7588      1.00000
      3       5.8314      1.00000
      4       5.8314      1.00000
      5       8.4131      0.00000
      6       8.6946      0.00000
      7       8.6946      0.00000
      8       9.7018      0.00000
      9      13.4948      0.00000

 k-point     6 :       0.0556    0.0000    0.0556
  band No.  band energies     occupation
      1      -6.0870      1.00000
      2       5.6452      1.00000
      3       5.7566      1.00000
      4       5.7566      1.00000
      5       8.3651      0.00000
      6       8.7937      0.00000
      7       8.7937      0.00000
      8       9.8083      0.00000
      9      13.3128      0.00000

 k-point     7 :       0.0667   -0.0000    0.0667
  band No.  band energies     occupation
      1      -6.0628      1.00000
      2       5.5148      1.00000
      3       5.6717      1.00000
      4       5.6717      1.00000
      5       8.3087      0.00000
      6       8.9080      0.00000
      7       8.9080      0.00000
      8       9.9268      0.00000
      9      13.1629      0.00000

 k-point     8 :       0.0778    0.0000    0.0778
  band No.  band energies     occupation
      1      -6.0342      1.00000
      2       5.3706      1.00000
      3       5.5793      1.00000
      4       5.5793      1.00000
      5       8.2451      0.00000
      6       9.0354      0.00000
      7       9.0354      0.00000
      8      10.0516      0.00000
      9      13.0106      0.00000

 k-point     9 :       0.0889   -0.0000    0.0889
  band No.  band energies     occupation
      1      -6.0012      1.00000
      2       5.2150      1.00000
      3       5.4812      1.00000
      4       5.4812      1.00000
      5       8.1752      0.00000
      6       9.1736      0.00000
      7       9.1736      0.00000
      8      10.1761      0.00000
      9      12.8455      0.00000

 k-point    10 :       0.1000    0.0000    0.1000
  band No.  band energies     occupation
      1      -5.9639      1.00000
      2       5.0500      1.00000
      3       5.3791      1.00000
      4       5.3791      1.00000
      5       8.1002      0.00000
      6       9.3208      0.00000
      7       9.3208      0.00000
      8      10.2917      0.00000
      9      12.6936      0.00000

 k-point    11 :       0.1111    0.0000    0.1111
  band No.  band energies     occupation
      1      -5.9222      1.00000
      2       4.8779      1.00000
      3       5.2745      1.00000
      4       5.2745      1.00000
      5       8.0211      0.00000
      6       9.4759      0.00000
      7       9.4759      0.00000
      8      10.3890      0.00000
      9      12.5718      0.00000

 k-point    12 :       0.1222   -0.0000    0.1222
  band No.  band energies     occupation
      1      -5.8762      1.00000
      2       4.6999      1.00000
      3       5.1685      1.00000
      4       5.1685      1.00000
      5       7.9390      0.00000
      6       9.6377      0.00000
      7       9.6377      0.00000
      8      10.4556      0.00000
      9      12.4860      0.00000

 k-point    13 :       0.1333   -0.0000    0.1333
  band No.  band energies     occupation
      1      -5.8259      1.00000
      2       4.5166      1.00000
      3       5.0602      1.00000
      4       5.0602      1.00000
      5       7.8540      0.00000
      6       9.8040      0.00000
      7       9.8040      0.00000
      8      10.4801      0.00000
      9      12.4475      0.00000

 k-point    14 :       0.1444    0.0000    0.1444
  band No.  band energies     occupation
      1      -5.7712      1.00000
      2       4.3298      1.00000
      3       4.9538      1.00000
      4       4.9538      1.00000
      5       7.7683      0.00000
      6       9.9763      0.00000
      7       9.9763      0.00000
      8      10.4555      0.00000
      9      12.4641      0.00000

 k-point    15 :       0.1556    0.0000    0.1556
  band No.  band energies     occupation
      1      -5.7122      1.00000
      2       4.1394      1.00000
      3       4.8480      1.00000
      4       4.8480      1.00000
      5       7.6819      0.00000
      6      10.1515      0.00000
      7      10.1515      0.00000
      8      10.3822      0.00000
      9      12.5326      0.00000

 k-point    16 :       0.1667   -0.0000    0.1667
  band No.  band energies     occupation
      1      -5.6490      1.00000
      2       3.9468      1.00000
      3       4.7435      1.00000
      4       4.7435      1.00000
      5       7.5954      0.00000
      6      10.2711      0.00000
      7      10.3316      0.00000
      8      10.3316      0.00000
      9      12.6484      0.00000

 k-point    17 :       0.1778   -0.0000    0.1778
  band No.  band energies     occupation
      1      -5.5814      1.00000
      2       3.7521      1.00000
      3       4.6407      1.00000
      4       4.6407      1.00000
      5       7.5096      0.00000
      6      10.1318      0.00000
      7      10.5151      0.00000
      8      10.5151      0.00000
      9      12.8011      0.00000

 k-point    18 :       0.1889   -0.0000    0.1889
  band No.  band energies     occupation
      1      -5.5096      1.00000
      2       3.5556      1.00000
      3       4.5399      1.00000
      4       4.5399      1.00000
      5       7.4248      0.00000
      6       9.9755      0.00000
      7      10.7028      0.00000
      8      10.7028      0.00000
      9      12.9807      0.00000

 k-point    19 :       0.2000    0.0000    0.2000
  band No.  band energies     occupation
      1      -5.4336      1.00000
      2       3.3577      1.00000
      3       4.4413      1.00000
      4       4.4413      1.00000
      5       7.3416      0.00000
      6       9.8060      0.00000
      7      10.8917      0.00000
      8      10.8918      0.00000
      9      13.1763      0.00000

 k-point    20 :       0.2111   -0.0000    0.2111
  band No.  band energies     occupation
      1      -5.3534      1.00000
      2       3.1585      1.00000
      3       4.3452      1.00000
      4       4.3452      1.00000
      5       7.2602      0.00000
      6       9.6301      0.00000
      7      11.0830      0.00000
      8      11.0830      0.00000
      9      13.3846      0.00000

 k-point    21 :       0.2222    0.0000    0.2222
  band No.  band energies     occupation
      1      -5.2690      1.00000
      2       2.9584      1.00000
      3       4.2517      1.00000
      4       4.2517      1.00000
      5       7.1812      0.00000
      6       9.4513      0.00000
      7      11.2764      0.00000
      8      11.2764      0.00000
      9      13.6017      0.00000

 k-point    22 :       0.2333    0.0000    0.2333
  band No.  band energies     occupation
      1      -5.1804      1.00000
      2       2.7575      1.00000
      3       4.1611      1.00000
      4       4.1611      1.00000
      5       7.1047      0.00000
      6       9.2723      0.00000
      7      11.4716      0.00000
      8      11.4717      0.00000
      9      13.8294      0.00000

 k-point    23 :       0.2444   -0.0000    0.2444
  band No.  band energies     occupation
      1      -5.0878      1.00000
      2       2.5559      1.00000
      3       4.0733      1.00000
      4       4.0733      1.00000
      5       7.0312      0.00000
      6       9.0946      0.00000
      7      11.6675      0.00000
      8      11.6675      0.00000
      9      14.0570      0.00000

 k-point    24 :       0.2556   -0.0000    0.2556
  band No.  band energies     occupation
      1      -4.9910      1.00000
      2       2.3540      1.00000
      3       3.9889      1.00000
      4       3.9889      1.00000
      5       6.9608      0.00000
      6       8.9198      0.00000
      7      11.8660      0.00000
      8      11.8660      0.00000
      9      14.3030      0.00000

 k-point    25 :       0.2667   -0.0000    0.2667
  band No.  band energies     occupation
      1      -4.8900      1.00000
      2       2.1518      1.00000
      3       3.9077      1.00000
      4       3.9077      1.00000
      5       6.8945      0.00000
      6       8.7492      0.00000
      7      12.0700      0.00000
      8      12.0700      0.00000
      9      14.5516      0.00000

 k-point    26 :       0.2778   -0.0000    0.2778
  band No.  band energies     occupation
      1      -4.7852      1.00000
      2       1.9495      1.00000
      3       3.8298      1.00000
      4       3.8298      1.00000
      5       6.8311      0.00000
      6       8.5827      0.00000
      7      12.2713      0.00000
      8      12.2714      0.00000
      9      14.8138      0.00000

 k-point    27 :       0.2889    0.0000    0.2889
  band No.  band energies     occupation
      1      -4.6763      1.00000
      2       1.7471      1.00000
      3       3.7552      1.00000
      4       3.7552      1.00000
      5       6.7715      0.00000
      6       8.4213      0.00000
      7      12.4740      0.00000
      8      12.4740      0.00000
      9      15.1115      0.00000

 k-point    28 :       0.3000    0.0000    0.3000
  band No.  band energies     occupation
      1      -4.5635      1.00000
      2       1.5449      1.00000
      3       3.6842      1.00000
      4       3.6842      1.00000
      5       6.7159      0.00000
      6       8.2653      0.00000
      7      12.6779      0.00000
      8      12.6779      0.00000
      9      15.3210      0.00000

 k-point    29 :       0.3111    0.0000    0.3111
  band No.  band energies     occupation
      1      -4.4468      1.00000
      2       1.3429      1.00000
      3       3.6167      1.00000
      4       3.6167      1.00000
      5       6.6644      0.00000
      6       8.1151      0.00000
      7      12.8829      0.00000
      8      12.8830      0.00000
      9      15.5325      0.00000

 k-point    30 :       0.3222    0.0000    0.3222
  band No.  band energies     occupation
      1      -4.3262      1.00000
      2       1.1414      1.00000
      3       3.5528      1.00000
      4       3.5528      1.00000
      5       6.6172      0.00000
      6       7.9710      0.00000
      7      13.0891      0.00000
      8      13.0891      0.00000
      9      15.7505      0.00000

 k-point    31 :       0.3333   -0.0000    0.3333
  band No.  band energies     occupation
      1      -4.2018      1.00000
      2       0.9403      1.00000
      3       3.4918      1.00000
      4       3.4918      1.00000
      5       6.5744      0.00000
      6       7.8325      0.00000
      7      13.2958      0.00000
      8      13.2959      0.00000
      9      15.9198      0.00000

 k-point    32 :       0.3444   -0.0000    0.3444
  band No.  band energies     occupation
      1      -4.0733      1.00000
      2       0.7399      1.00000
      3       3.4353      1.00000
      4       3.4353      1.00000
      5       6.5372      0.00000
      6       7.7010      0.00000
      7      13.5045      0.00000
      8      13.5047      0.00000
      9      16.1380      0.00000

 k-point    33 :       0.3556   -0.0000    0.3556
  band No.  band energies     occupation
      1      -3.9414      1.00000
      2       0.5404      1.00000
      3       3.3825      1.00000
      4       3.3825      1.00000
      5       6.5036      0.00000
      6       7.5759      0.00000
      7      13.7138      0.00000
      8      13.7139      0.00000
      9      16.2425      0.00000

 k-point    34 :       0.3667   -0.0000    0.3667
  band No.  band energies     occupation
      1      -3.8058      1.00000
      2       0.3418      1.00000
      3       3.3335      1.00000
      4       3.3336      1.00000
      5       6.4748      0.00000
      6       7.4574      0.00000
      7      13.9240      0.00000
      8      13.9240      0.00000
      9      16.4404      0.00000

 k-point    35 :       0.3778   -0.0000    0.3778
  band No.  band energies     occupation
      1      -3.6666      1.00000
      2       0.1444      1.00000
      3       3.2884      1.00000
      4       3.2884      1.00000
      5       6.4509      0.00000
      6       7.3454      0.00000
      7      14.1351      0.00000
      8      14.1351      0.00000
      9      16.5360      0.00000

 k-point    36 :       0.3889   -0.0000    0.3889
  band No.  band energies     occupation
      1      -3.5239      1.00000
      2      -0.0519      1.00000
      3       3.2470      1.00000
      4       3.2470      1.00000
      5       6.4320      0.00000
      6       7.2400      0.00000
      7      14.3469      0.00000
      8      14.3470      0.00000
      9      16.7797      0.00000

 k-point    37 :       0.4000    0.0000    0.4000
  band No.  band energies     occupation
      1      -3.3777      1.00000
      2      -0.2475      1.00000
      3       3.2094      1.00000
      4       3.2094      1.00000
      5       6.4180      0.00000
      6       7.1398      0.00000
      7      14.5578      0.00000
      8      14.5578      0.00000
      9      16.9536      0.00000

 k-point    38 :       0.4111    0.0000    0.4111
  band No.  band energies     occupation
      1      -3.2280      1.00000
      2      -0.4407      1.00000
      3       3.1760      1.00000
      4       3.1760      1.00000
      5       6.4101      0.00000
      6       7.0478      0.00000
      7      14.7779      0.00000
      8      14.7779      0.00000
      9      17.0352      0.00000

 k-point    39 :       0.4222   -0.0000    0.4222
  band No.  band energies     occupation
      1      -3.0750      1.00000
      2      -0.6325      1.00000
      3       3.1463      1.00000
      4       3.1463      1.00000
      5       6.4067      0.00000
      6       6.9620      0.00000
      7      14.9903      0.00000
      8      14.9903      0.00000
      9      17.2843      0.00000

 k-point    40 :       0.4333    0.0000    0.4333
  band No.  band energies     occupation
      1      -2.9188      1.00000
      2      -0.8224      1.00000
      3       3.1206      1.00000
      4       3.1206      1.00000
      5       6.4087      0.00000
      6       6.8826      0.00000
      7      15.2020      0.00000
      8      15.2021      0.00000
      9      17.4188      0.00000

 k-point    41 :       0.4444    0.0000    0.4444
  band No.  band energies     occupation
      1      -2.7594      1.00000
      2      -1.0105      1.00000
      3       3.0987      1.00000
      4       3.0988      1.00000
      5       6.4162      0.00000
      6       6.8096      0.00000
      7      15.4116      0.00000
      8      15.4119      0.00000
      9      17.7095      0.00000

 k-point    42 :       0.4556    0.0000    0.4556
  band No.  band energies     occupation
      1      -2.5969      1.00000
      2      -1.1964      1.00000
      3       3.0812      1.00000
      4       3.0812      1.00000
      5       6.4302      0.00000
      6       6.7437      0.00000
      7      15.6239      0.00000
      8      15.6241      0.00000
      9      17.6761      0.00000

 k-point    43 :       0.4667    0.0000    0.4667
  band No.  band energies     occupation
      1      -2.4313      1.00000
      2      -1.3803      1.00000
      3       3.0673      1.00000
      4       3.0673      1.00000
      5       6.4488      0.00000
      6       6.6833      0.00000
      7      15.8206      0.00000
      8      15.8207      0.00000
      9      17.4562      0.00000

 k-point    44 :       0.4778    0.0000    0.4778
  band No.  band energies     occupation
      1      -2.2629      1.00000
      2      -1.5618      1.00000
      3       3.0574      1.00000
      4       3.0574      1.00000
      5       6.4732      0.00000
      6       6.6291      0.00000
      7      15.9991      0.00000
      8      15.9993      0.00000
      9      17.2648      0.00000

 k-point    45 :       0.4889   -0.0000    0.4889
  band No.  band energies     occupation
      1      -2.0916      1.00000
      2      -1.7409      1.00000
      3       3.0514      1.00000
      4       3.0514      1.00000
      5       6.5034      0.00000
      6       6.5815      0.00000
      7      16.1373      0.00000
      8      16.1425      0.00000
      9      17.1252      0.00000

 k-point    46 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation
      1      -1.9176      1.00000
      2      -1.9176      1.00000
      3       3.0494      1.00000
      4       3.0494      1.00000
      5       6.5394      0.00000
      6       6.5395      0.00000
      7      16.1932      0.00000
      8      16.1973      0.00000
      9      17.0675      0.00000

 k-point    47 :       0.5083    0.0167    0.5083
  band No.  band energies     occupation
      1      -1.9185      1.00000
      2      -1.9149      1.00000
      3       3.0314      1.00000
      4       3.0514      1.00000
      5       6.5418      0.00000
      6       6.5655      0.00000
      7      16.1649      0.00000
      8      16.1808      0.00000
      9      17.0312      0.00000

 k-point    48 :       0.5167    0.0333    0.5167
  band No.  band energies     occupation
      1      -1.9212      1.00000
      2      -1.9069      1.00000
      3       2.9792      1.00000
      4       3.0574      1.00000
      5       6.5487      0.00000
      6       6.6419      0.00000
      7      16.0837      0.00000
      8      16.1342      0.00000
      9      16.9256      0.00000

 k-point    49 :       0.5250    0.0500    0.5250
  band No.  band energies     occupation
      1      -1.9260      1.00000
      2      -1.8937      1.00000
      3       2.8969      1.00000
      4       3.0673      1.00000
      5       6.5603      0.00000
      6       6.7636      0.00000
      7      15.9581      0.00000
      8      16.0628      0.00000
      9      16.7921      0.00000

 k-point    50 :       0.5333    0.0667    0.5333
  band No.  band energies     occupation
      1      -1.9331      1.00000
      2      -1.8751      1.00000
      3       2.7918      1.00000
      4       3.0813      1.00000
      5       6.5766      0.00000
      6       6.9256      0.00000
      7      15.8041      0.00000
      8      15.9715      0.00000
      9      16.5878      0.00000

 k-point    51 :       0.5417    0.0833    0.5417
  band No.  band energies     occupation
      1      -1.9429      1.00000
      2      -1.8512      1.00000
      3       2.6697      1.00000
      4       3.0990      1.00000
      5       6.5966      0.00000
      6       7.1200      0.00000
      7      15.6104      0.00000
      8      15.8546      0.00000
      9      16.3423      0.00000

 k-point    52 :       0.5500    0.1000    0.5500
  band No.  band energies     occupation
      1      -1.9558      1.00000
      2      -1.8220      1.00000
      3       2.5375      1.00000
      4       3.1208      1.00000
      5       6.6213      0.00000
      6       7.3430      0.00000
      7      15.4141      0.00000
      8      15.7285      0.00000
      9      16.1252      0.00000

 k-point    53 :       0.5583    0.1167    0.5583
  band No.  band energies     occupation
      1      -1.9724      1.00000
      2      -1.7875      1.00000
      3       2.4003      1.00000
      4       3.1465      1.00000
      5       6.6513      0.00000
      6       7.5890      0.00000
      7      15.2093      0.00000
      8      15.5930      0.00000
      9      15.9243      0.00000

 k-point    54 :       0.5667    0.1333    0.5667
  band No.  band energies     occupation
      1      -1.9934      1.00000
      2      -1.7477      1.00000
      3       2.2625      1.00000
      4       3.1761      1.00000
      5       6.6857      0.00000
      6       7.8539      0.00000
      7      14.9944      0.00000
      8      15.4431      0.00000
      9      15.7659      0.00000

 k-point    55 :       0.5750    0.1500    0.5750
  band No.  band energies     occupation
      1      -2.0195      1.00000
      2      -1.7026      1.00000
      3       2.1278      1.00000
      4       3.2096      1.00000
      5       6.7247      0.00000
      6       8.1347      0.00000
      7      14.7783      0.00000
      8      15.2849      0.00000
      9      15.4454      0.00000

 k-point    56 :       0.5833    0.1667    0.5833
  band No.  band energies     occupation
      1      -2.0516      1.00000
      2      -1.6522      1.00000
      3       1.9994      1.00000
      4       3.2468      1.00000
      5       6.7680      0.00000
      6       8.4290      0.00000
      7      14.5600      0.00000
      8      15.1385      0.00000
      9      15.4635      0.00000

 k-point    57 :       0.5917    0.1833    0.5917
  band No.  band energies     occupation
      1      -2.0903      1.00000
      2      -1.5965      1.00000
      3       1.8796      1.00000
      4       3.2877      1.00000
      5       6.8157      0.00000
      6       8.7348      0.00000
      7      14.3420      0.00000
      8      14.9334      0.00000
      9      14.9586      0.00000

 k-point    58 :       0.6000    0.2000    0.6000
  band No.  band energies     occupation
      1      -2.1364      1.00000
      2      -1.5356      1.00000
      3       1.7707      1.00000
      4       3.3322      1.00000
      5       6.8677      0.00000
      6       9.0505      0.00000
      7      14.1245      0.00000
      8      14.6983      0.00000
      9      14.7886      0.00000

 k-point    59 :       0.6083    0.2167    0.6083
  band No.  band energies     occupation
      1      -2.1905      1.00000
      2      -1.4695      1.00000
      3       1.6742      1.00000
      4       3.3803      1.00000
      5       6.9239      0.00000
      6       9.3747      0.00000
      7      13.9087      0.00000
      8      14.4721      0.00000
      9      14.6345      0.00000

 k-point    60 :       0.6167    0.2333    0.6167
  band No.  band energies     occupation
      1      -2.2533      1.00000
      2      -1.3981      1.00000
      3       1.5912      1.00000
      4       3.4319      1.00000
      5       6.9842      0.00000
      6       9.7045      0.00000
      7      13.6944      0.00000
      8      14.2535      0.00000
      9      14.5645      0.00000

 k-point    61 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation
      1      -2.3245      1.00000
      2      -1.3215      1.00000
      3       1.5232      1.00000
      4       3.4868      1.00000
      5       7.0485      0.00000
      6      10.0419      0.00000
      7      13.4831      0.00000
      8      14.0342      0.00000
      9      14.2965      0.00000

 k-point    62 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation
      1      -2.3245      1.00000
      2      -1.3215      1.00000
      3       1.5232      1.00000
      4       3.4868      1.00000
      5       7.0485      0.00000
      6      10.0419      0.00000
      7      13.4830      0.00000
      8      14.0344      0.00000
      9      14.3232      0.00000

 k-point    63 :       0.3672    0.3672    0.7344
  band No.  band energies     occupation
      1      -2.3990      1.00000
      2      -1.2449      1.00000
      3       1.4733      1.00000
      4       3.5414      1.00000
      5       7.1124      0.00000
      6      10.3622      0.00000
      7      13.2874      0.00000
      8      13.8368      0.00000
      9      14.1762      0.00000

 k-point    64 :       0.3594    0.3594    0.7188
  band No.  band energies     occupation
      1      -2.4809      1.00000
      2      -1.1635      1.00000
      3       1.4370      1.00000
      4       3.5988      1.00000
      5       7.1799      0.00000
      6      10.6858      0.00000
      7      13.0961      0.00000
      8      13.6510      0.00000
      9      14.0271      0.00000

 k-point    65 :       0.3516    0.3516    0.7031
  band No.  band energies     occupation
      1      -2.5697      1.00000
      2      -1.0775      1.00000
      3       1.4143      1.00000
      4       3.6588      1.00000
      5       7.2501      0.00000
      6      11.0088      0.00000
      7      12.9062      0.00000
      8      13.4672      0.00000
      9      13.8696      0.00000

 k-point    66 :       0.3438    0.3438    0.6875
  band No.  band energies     occupation
      1      -2.6651      1.00000
      2      -0.9872      1.00000
      3       1.4045      1.00000
      4       3.7214      1.00000
      5       7.3236      0.00000
      6      11.3270      0.00000
      7      12.7193      0.00000
      8      13.2967      0.00000
      9      13.6638      0.00000

 k-point    67 :       0.3359    0.3359    0.6719
  band No.  band energies     occupation
      1      -2.7663      1.00000
      2      -0.8924      1.00000
      3       1.4074      1.00000
      4       3.7865      1.00000
      5       7.4000      0.00000
      6      11.6316      0.00000
      7      12.5358      0.00000
      8      13.1489      0.00000
      9      13.6245      0.00000

 k-point    68 :       0.3281    0.3281    0.6562
  band No.  band energies     occupation
      1      -2.8726      1.00000
      2      -0.7931      1.00000
      3       1.4224      1.00000
      4       3.8538      1.00000
      5       7.4791      0.00000
      6      11.9010      0.00000
      7      12.3556      0.00000
      8      13.0423      0.00000
      9      13.3972      0.00000

 k-point    69 :       0.3203    0.3203    0.6406
  band No.  band energies     occupation
      1      -2.9831      1.00000
      2      -0.6892      1.00000
      3       1.4488      1.00000
      4       3.9233      1.00000
      5       7.5607      0.00000
      6      12.0863      0.00000
      7      12.1790      0.00000
      8      13.0271      0.00000
      9      13.3404      0.00000

 k-point    70 :       0.3125    0.3125    0.6250
  band No.  band energies     occupation
      1      -3.0974      1.00000
      2      -0.5810      1.00000
      3       1.4859      1.00000
      4       3.9948      1.00000
      5       7.6446      0.00000
      6      12.0035      0.00000
      7      12.1339      0.00000
      8      13.0816      0.00000
      9      13.1655      0.00000

 k-point    71 :       0.3047    0.3047    0.6094
  band No.  band energies     occupation
      1      -3.2143      1.00000
      2      -0.4682      1.00000
      3       1.5333      1.00000
      4       4.0681      1.00000
      5       7.7306      0.00000
      6      11.8343      0.00000
      7      12.0702      0.00000
      8      12.9439      0.00000
      9      13.1278      0.00000

 k-point    72 :       0.2969    0.2969    0.5938
  band No.  band energies     occupation
      1      -3.3331      1.00000
      2      -0.3510      1.00000
      3       1.5901      1.00000
      4       4.1431      1.00000
      5       7.8183      0.00000
      6      11.6689      0.00000
      7      11.9548      0.00000
      8      12.8125      0.00000
      9      12.9981      0.00000

 k-point    73 :       0.2891    0.2891    0.5781
  band No.  band energies     occupation
      1      -3.4533      1.00000
      2      -0.2294      1.00000
      3       1.6557      1.00000
      4       4.2196      1.00000
      5       7.9074      0.00000
      6      11.5073      0.00000
      7      11.8189      0.00000
      8      12.6855      0.00000
      9      12.8781      0.00000

 k-point    74 :       0.2812    0.2812    0.5625
  band No.  band energies     occupation
      1      -3.5743      1.00000
      2      -0.1034      1.00000
      3       1.7295      1.00000
      4       4.2973      1.00000
      5       7.9975      0.00000
      6      11.3496      0.00000
      7      11.6753      0.00000
      8      12.5637      0.00000
      9      12.7645      0.00000

 k-point    75 :       0.2734    0.2734    0.5469
  band No.  band energies     occupation
      1      -3.6953      1.00000
      2       0.0271      1.00000
      3       1.8112      1.00000
      4       4.3762      1.00000
      5       8.0883      0.00000
      6      11.1963      0.00000
      7      11.5314      0.00000
      8      12.4478      0.00000
      9      12.6596      0.00000

 k-point    76 :       0.2656    0.2656    0.5312
  band No.  band energies     occupation
      1      -3.8161      1.00000
      2       0.1618      1.00000
      3       1.8999      1.00000
      4       4.4556      1.00000
      5       8.1790      0.00000
      6      11.0466      0.00000
      7      11.3856      0.00000
      8      12.3372      0.00000
      9      12.5600      0.00000

 k-point    77 :       0.2578    0.2578    0.5156
  band No.  band energies     occupation
      1      -3.9360      1.00000
      2       0.3008      1.00000
      3       1.9953      1.00000
      4       4.5355      1.00000
      5       8.2692      0.00000
      6      10.9008      0.00000
      7      11.2416      0.00000
      8      12.2329      0.00000
      9      12.4676      0.00000

 k-point    78 :       0.2500    0.2500    0.5000
  band No.  band energies     occupation
      1      -4.0547      1.00000
      2       0.4447      1.00000
      3       2.0974      1.00000
      4       4.6159      1.00000
      5       8.3589      0.00000
      6      10.7607      0.00000
      7      11.1009      0.00000
      8      12.1367      0.00000
      9      12.3840      0.00000

 k-point    79 :       0.2422    0.2422    0.4844
  band No.  band energies     occupation
      1      -4.1721      1.00000
      2       0.5922      1.00000
      3       2.2049      1.00000
      4       4.6959      1.00000
      5       8.4441      0.00000
      6      10.6216      0.00000
      7      10.9585      0.00000
      8      12.0457      0.00000
      9      12.3021      0.00000

 k-point    80 :       0.2344    0.2344    0.4688
  band No.  band energies     occupation
      1      -4.2875      1.00000
      2       0.7439      1.00000
      3       2.3178      1.00000
      4       4.7749      1.00000
      5       8.5285      0.00000
      6      10.4878      0.00000
      7      10.8222      0.00000
      8      11.9632      0.00000
      9      12.2288      0.00000

 k-point    81 :       0.2266    0.2266    0.4531
  band No.  band energies     occupation
      1      -4.4007      1.00000
      2       0.8997      1.00000
      3       2.4360      1.00000
      4       4.8538      1.00000
      5       8.6094      0.00000
      6      10.3586      0.00000
      7      10.6904      0.00000
      8      11.8894      0.00000
      9      12.1688      0.00000

 k-point    82 :       0.2188    0.2188    0.4375
  band No.  band energies     occupation
      1      -4.5114      1.00000
      2       1.0597      1.00000
      3       2.5589      1.00000
      4       4.9317      1.00000
      5       8.6859      0.00000
      6      10.2337      0.00000
      7      10.5621      0.00000
      8      11.8245      0.00000
      9      12.1176      0.00000

 k-point    83 :       0.2109    0.2109    0.4219
  band No.  band energies     occupation
      1      -4.6196      1.00000
      2       1.2236      1.00000
      3       2.6862      1.00000
      4       5.0083      1.00000
      5       8.7566      0.00000
      6      10.1129      0.00000
      7      10.4355      0.00000
      8      11.7692      0.00000
      9      12.0755      0.00000

 k-point    84 :       0.2031    0.2031    0.4062
  band No.  band energies     occupation
      1      -4.7249      1.00000
      2       1.3915      1.00000
      3       2.8177      1.00000
      4       5.0832      1.00000
      5       8.8213      0.00000
      6       9.9964      0.00000
      7      10.3147      0.00000
      8      11.7236      0.00000
      9      12.0427      0.00000

 k-point    85 :       0.1953    0.1953    0.3906
  band No.  band energies     occupation
      1      -4.8271      1.00000
      2       1.5636      1.00000
      3       2.9536      1.00000
      4       5.1561      1.00000
      5       8.8789      0.00000
      6       9.8843      0.00000
      7      10.1983      0.00000
      8      11.6881      0.00000
      9      12.0195      0.00000

 k-point    86 :       0.1875    0.1875    0.3750
  band No.  band energies     occupation
      1      -4.9262      1.00000
      2       1.7393      1.00000
      3       3.0924      1.00000
      4       5.2267      1.00000
      5       8.9287      0.00000
      6       9.7764      0.00000
      7      10.0849      0.00000
      8      11.6620      0.00000
      9      12.0062      0.00000

 k-point    87 :       0.1797    0.1797    0.3594
  band No.  band energies     occupation
      1      -5.0220      1.00000
      2       1.9188      1.00000
      3       3.2343      1.00000
      4       5.2948      1.00000
      5       8.9701      0.00000
      6       9.6727      0.00000
      7       9.9752      0.00000
      8      11.6449      0.00000
      9      12.0029      0.00000

 k-point    88 :       0.1719    0.1719    0.3438
  band No.  band energies     occupation
      1      -5.1144      1.00000
      2       2.1020      1.00000
      3       3.3791      1.00000
      4       5.3610      1.00000
      5       9.0030      0.00000
      6       9.5745      0.00000
      7       9.8693      0.00000
      8      11.6356      0.00000
      9      12.0099      0.00000

 k-point    89 :       0.1641    0.1641    0.3281
  band No.  band energies     occupation
      1      -5.2034      1.00000
      2       2.2884      1.00000
      3       3.5263      1.00000
      4       5.4231      1.00000
      5       9.0265      0.00000
      6       9.4796      0.00000
      7       9.7637      0.00000
      8      11.6319      0.00000
      9      12.0268      0.00000

 k-point    90 :       0.1562    0.1562    0.3125
  band No.  band energies     occupation
      1      -5.2886      1.00000
      2       2.4784      1.00000
      3       3.6756      1.00000
      4       5.4820      1.00000
      5       9.0424      0.00000
      6       9.3889      0.00000
      7       9.6651      0.00000
      8      11.6311      0.00000
      9      12.0542      0.00000

 k-point    91 :       0.1484    0.1484    0.2969
  band No.  band energies     occupation
      1      -5.3701      1.00000
      2       2.6719      1.00000
      3       3.8267      1.00000
      4       5.5378      1.00000
      5       9.0507      0.00000
      6       9.3038      0.00000
      7       9.5711      0.00000
      8      11.6294      0.00000
      9      12.0955      0.00000

 k-point    92 :       0.1406    0.1406    0.2812
  band No.  band energies     occupation
      1      -5.4478      1.00000
      2       2.8683      1.00000
      3       3.9788      1.00000
      4       5.5897      1.00000
      5       9.0520      0.00000
      6       9.2219      0.00000
      7       9.4797      0.00000
      8      11.6219      0.00000
      9      12.1435      0.00000

 k-point    93 :       0.1328    0.1328    0.2656
  band No.  band energies     occupation
      1      -5.5216      1.00000
      2       3.0675      1.00000
      3       4.1317      1.00000
      4       5.6379      1.00000
      5       9.0467      0.00000
      6       9.1442      0.00000
      7       9.3910      0.00000
      8      11.6025      0.00000
      9      12.1971      0.00000

 k-point    94 :       0.1250    0.1250    0.2500
  band No.  band energies     occupation
      1      -5.5915      1.00000
      2       3.2693      1.00000
      3       4.2847      1.00000
      4       5.6824      1.00000
      5       9.0364      0.00000
      6       9.0710      0.00000
      7       9.3065      0.00000
      8      11.5648      0.00000
      9      12.2645      0.00000

 k-point    95 :       0.1172    0.1172    0.2344
  band No.  band energies     occupation
      1      -5.6574      1.00000
      2       3.4735      1.00000
      3       4.4374      1.00000
      4       5.7233      1.00000
      5       9.0023      0.00000
      6       9.0217      0.00000
      7       9.2254      0.00000
      8      11.5022      0.00000
      9      12.3420      0.00000

 k-point    96 :       0.1094    0.1094    0.2188
  band No.  band energies     occupation
      1      -5.7192      1.00000
      2       3.6810      1.00000
      3       4.5896      1.00000
      4       5.7609      1.00000
      5       8.9385      0.00000
      6       9.0037      0.00000
      7       9.1489      0.00000
      8      11.4113      0.00000
      9      12.4352      0.00000

 k-point    97 :       0.1016    0.1016    0.2031
  band No.  band energies     occupation
      1      -5.7769      1.00000
      2       3.8887      1.00000
      3       4.7393      1.00000
      4       5.7946      1.00000
      5       8.8786      0.00000
      6       8.9820      0.00000
      7       9.0745      0.00000
      8      11.2883      0.00000
      9      12.5298      0.00000

 k-point    98 :       0.0938    0.0938    0.1875
  band No.  band energies     occupation
      1      -5.8306      1.00000
      2       4.0973      1.00000
      3       4.8864      1.00000
      4       5.8249      1.00000
      5       8.8230      0.00000
      6       8.9577      0.00000
      7       9.0034      0.00000
      8      11.1374      0.00000
      9      12.6309      0.00000

 k-point    99 :       0.0859    0.0859    0.1719
  band No.  band energies     occupation
      1      -5.8800      1.00000
      2       4.3063      1.00000
      3       5.0298      1.00000
      4       5.8520      1.00000
      5       8.7719      0.00000
      6       8.9314      0.00000
      7       8.9357      0.00000
      8      10.9642      0.00000
      9      12.7409      0.00000

 k-point   100 :       0.0781    0.0781    0.1562
  band No.  band energies     occupation
      1      -5.9253      1.00000
      2       4.5144      1.00000
      3       5.1686      1.00000
      4       5.8764      1.00000
      5       8.7252      0.00000
      6       8.8715      0.00000
      7       8.9022      0.00000
      8      10.7758      0.00000
      9      12.8620      0.00000

 k-point   101 :       0.0703    0.0703    0.1406
  band No.  band energies     occupation
      1      -5.9663      1.00000
      2       4.7206      1.00000
      3       5.3015      1.00000
      4       5.8974      1.00000
      5       8.6830      0.00000
      6       8.8107      0.00000
      7       8.8704      0.00000
      8      10.5797      0.00000
      9      12.9816      0.00000

 k-point   102 :       0.0625    0.0625    0.1250
  band No.  band energies     occupation
      1      -6.0030      1.00000
      2       4.9236      1.00000
      3       5.4279      1.00000
      4       5.9156      1.00000
      5       8.6451      0.00000
      6       8.7537      0.00000
      7       8.8358      0.00000
      8      10.3832      0.00000
      9      13.1029      0.00000

 k-point   103 :       0.0547    0.0547    0.1094
  band No.  band energies     occupation
      1      -6.0355      1.00000
      2       5.1207      1.00000
      3       5.5449      1.00000
      4       5.9312      1.00000
      5       8.6118      0.00000
      6       8.7009      0.00000
      7       8.7969      0.00000
      8      10.1929      0.00000
      9      13.2826      0.00000

 k-point   104 :       0.0469    0.0469    0.0938
  band No.  band energies     occupation
      1      -6.0638      1.00000
      2       5.3095      1.00000
      3       5.6516      1.00000
      4       5.9443      1.00000
      5       8.5828      0.00000
      6       8.6527      0.00000
      7       8.7533      0.00000
      8      10.0155      0.00000
      9      13.3443      0.00000

 k-point   105 :       0.0391    0.0391    0.0781
  band No.  band energies     occupation
      1      -6.0876      1.00000
      2       5.4863      1.00000
      3       5.7462      1.00000
      4       5.9552      1.00000
      5       8.5584      0.00000
      6       8.6099      0.00000
      7       8.7044      0.00000
      8       9.8573      0.00000
      9      13.4410      0.00000

 k-point   106 :       0.0312    0.0312    0.0625
  band No.  band energies     occupation
      1      -6.1072      1.00000
      2       5.6461      1.00000
      3       5.8270      1.00000
      4       5.9638      1.00000
      5       8.5383      0.00000
      6       8.5731      0.00000
      7       8.6513      0.00000
      8       9.7241      0.00000
      9      13.6389      0.00000

 k-point   107 :       0.0234    0.0234    0.0469
  band No.  band energies     occupation
      1      -6.1224      1.00000
      2       5.7828      1.00000
      3       5.8922      1.00000
      4       5.9705      1.00000
      5       8.5227      0.00000
      6       8.5432      0.00000
      7       8.5973      0.00000
      8       9.6197      0.00000
      9      13.6591      0.00000

 k-point   108 :       0.0156    0.0156    0.0312
  band No.  band energies     occupation
      1      -6.1333      1.00000
      2       5.8888      1.00000
      3       5.9401      1.00000
      4       5.9751      1.00000
      5       8.5116      0.00000
      6       8.5211      0.00000
      7       8.5491      0.00000
      8       9.5459      0.00000
      9      13.6927      0.00000

 k-point   109 :       0.0078    0.0078    0.0156
  band No.  band energies     occupation
      1      -6.1399      1.00000
      2       5.9555      1.00000
      3       5.9689      1.00000
      4       5.9779      1.00000
      5       8.5049      0.00000
      6       8.5073      0.00000
      7       8.5150      0.00000
      8       9.5022      0.00000
      9      13.7482      0.00000

 k-point   110 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1      -6.1421      1.00000
      2       5.9788      1.00000
      3       5.9788      1.00000
      4       5.9788      1.00000
      5       8.5027      0.00000
      6       8.5027      0.00000
      7       8.5027      0.00000
      8       9.4878      0.00000
      9      13.7453      0.00000

 k-point   111 :       0.0128    0.0128    0.0128
  band No.  band energies     occupation
      1      -6.1399      1.00000
      2       5.9522      1.00000
      3       5.9749      1.00000
      4       5.9749      1.00000
      5       8.5084      0.00000
      6       8.5084      0.00000
      7       8.5105      0.00000
      8       9.5023      0.00000
      9      13.7419      0.00000

 k-point   112 :       0.0256    0.0256    0.0256
  band No.  band energies     occupation
      1      -6.1333      1.00000
      2       5.8759      1.00000
      3       5.9632      1.00000
      4       5.9632      1.00000
      5       8.5254      0.00000
      6       8.5254      0.00000
      7       8.5306      0.00000
      8       9.5470      0.00000
      9      13.7215      0.00000

 k-point   113 :       0.0385    0.0385    0.0385
  band No.  band energies     occupation
      1      -6.1223      1.00000
      2       5.7552      1.00000
      3       5.9442      1.00000
      4       5.9442      1.00000
      5       8.5531      0.00000
      6       8.5531      0.00000
      7       8.5542      0.00000
      8       9.6234      0.00000
      9      13.7146      0.00000

 k-point   114 :       0.0513    0.0513    0.0513
  band No.  band energies     occupation
      1      -6.1069      1.00000
      2       5.5995      1.00000
      3       5.9184      1.00000
      4       5.9184      1.00000
      5       8.5725      0.00000
      6       8.5907      0.00000
      7       8.5907      0.00000
      8       9.7324      0.00000
      9      13.6142      0.00000

 k-point   115 :       0.0641    0.0641    0.0641
  band No.  band energies     occupation
      1      -6.0871      1.00000
      2       5.4173      1.00000
      3       5.8876      1.00000
      4       5.8876      1.00000
      5       8.5801      0.00000
      6       8.6377      0.00000
      7       8.6377      0.00000
      8       9.8719      0.00000
      9      13.5487      0.00000

 k-point   116 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation
      1      -6.0630      1.00000
      2       5.2149      1.00000
      3       5.8506      1.00000
      4       5.8506      1.00000
      5       8.5754      0.00000
      6       8.6919      0.00000
      7       8.6919      0.00000
      8      10.0371      0.00000
      9      13.4823      0.00000

 k-point   117 :       0.0897    0.0897    0.0897
  band No.  band energies     occupation
      1      -6.0345      1.00000
      2       4.9979      1.00000
      3       5.8093      1.00000
      4       5.8093      1.00000
      5       8.5591      0.00000
      6       8.7526      0.00000
      7       8.7526      0.00000
      8      10.2224      0.00000
      9      13.4088      0.00000

 k-point   118 :       0.1026    0.1026    0.1026
  band No.  band energies     occupation
      1      -6.0017      1.00000
      2       4.7705      1.00000
      3       5.7646      1.00000
      4       5.7646      1.00000
      5       8.5332      0.00000
      6       8.8181      0.00000
      7       8.8181      0.00000
      8      10.4228      0.00000
      9      13.3362      0.00000

 k-point   119 :       0.1154    0.1154    0.1154
  band No.  band energies     occupation
      1      -5.9646      1.00000
      2       4.5356      1.00000
      3       5.7173      1.00000
      4       5.7173      1.00000
      5       8.4998      0.00000
      6       8.8871      0.00000
      7       8.8871      0.00000
      8      10.6338      0.00000
      9      13.2656      0.00000

 k-point   120 :       0.1282    0.1282    0.1282
  band No.  band energies     occupation
      1      -5.9233      1.00000
      2       4.2942      1.00000
      3       5.6679      1.00000
      4       5.6679      1.00000
      5       8.4601      0.00000
      6       8.9578      0.00000
      7       8.9578      0.00000
      8      10.8522      0.00000
      9      13.1987      0.00000

 k-point   121 :       0.1410    0.1410    0.1410
  band No.  band energies     occupation
      1      -5.8777      1.00000
      2       4.0509      1.00000
      3       5.6174      1.00000
      4       5.6174      1.00000
      5       8.4166      0.00000
      6       9.0291      0.00000
      7       9.0291      0.00000
      8      11.0753      0.00000
      9      13.1398      0.00000

 k-point   122 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation
      1      -5.8280      1.00000
      2       3.8056      1.00000
      3       5.5653      1.00000
      4       5.5653      1.00000
      5       8.3699      0.00000
      6       9.0989      0.00000
      7       9.0989      0.00000
      8      11.3011      0.00000
      9      13.0870      0.00000

 k-point   123 :       0.1667    0.1667    0.1667
  band No.  band energies     occupation
      1      -5.7740      1.00000
      2       3.5594      1.00000
      3       5.5138      1.00000
      4       5.5138      1.00000
      5       8.3212      0.00000
      6       9.1665      0.00000
      7       9.1665      0.00000
      8      11.5284      0.00000
      9      13.0477      0.00000

 k-point   124 :       0.1795    0.1795    0.1795
  band No.  band energies     occupation
      1      -5.7160      1.00000
      2       3.3131      1.00000
      3       5.4626      1.00000
      4       5.4626      1.00000
      5       8.2712      0.00000
      6       9.2299      0.00000
      7       9.2299      0.00000
      8      11.7559      0.00000
      9      13.0212      0.00000

 k-point   125 :       0.1923    0.1923    0.1923
  band No.  band energies     occupation
      1      -5.6539      1.00000
      2       3.0670      1.00000
      3       5.4114      1.00000
      4       5.4114      1.00000
      5       8.2200      0.00000
      6       9.2868      0.00000
      7       9.2868      0.00000
      8      11.9823      0.00000
      9      12.9988      0.00000

 k-point   126 :       0.2051    0.2051    0.2051
  band No.  band energies     occupation
      1      -5.5878      1.00000
      2       2.8228      1.00000
      3       5.3616      1.00000
      4       5.3616      1.00000
      5       8.1693      0.00000
      6       9.3382      0.00000
      7       9.3382      0.00000
      8      12.2071      0.00000
      9      13.0021      0.00000

 k-point   127 :       0.2179    0.2179    0.2179
  band No.  band energies     occupation
      1      -5.5179      1.00000
      2       2.5805      1.00000
      3       5.3130      1.00000
      4       5.3130      1.00000
      5       8.1197      0.00000
      6       9.3819      0.00000
      7       9.3819      0.00000
      8      12.4303      0.00000
      9      13.0249      0.00000

 k-point   128 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation
      1      -5.4441      1.00000
      2       2.3404      1.00000
      3       5.2657      1.00000
      4       5.2657      1.00000
      5       8.0701      0.00000
      6       9.4176      0.00000
      7       9.4176      0.00000
      8      12.6483      0.00000
      9      13.0622      0.00000

 k-point   129 :       0.2436    0.2436    0.2436
  band No.  band energies     occupation
      1      -5.3666      1.00000
      2       2.1032      1.00000
      3       5.2200      1.00000
      4       5.2200      1.00000
      5       8.0236      0.00000
      6       9.4447      0.00000
      7       9.4447      0.00000
      8      12.8620      0.00000
      9      13.1174      0.00000

 k-point   130 :       0.2564    0.2564    0.2564
  band No.  band energies     occupation
      1      -5.2856      1.00000
      2       1.8690      1.00000
      3       5.1760      1.00000
      4       5.1760      1.00000
      5       7.9764      0.00000
      6       9.4636      0.00000
      7       9.4636      0.00000
      8      13.0682      0.00000
      9      13.1902      0.00000

 k-point   131 :       0.2692    0.2692    0.2692
  band No.  band energies     occupation
      1      -5.2012      1.00000
      2       1.6383      1.00000
      3       5.1339      1.00000
      4       5.1339      1.00000
      5       7.9308      0.00000
      6       9.4745      0.00000
      7       9.4745      0.00000
      8      13.2521      0.00000
      9      13.2805      0.00000

 k-point   132 :       0.2821    0.2821    0.2821
  band No.  band energies     occupation
      1      -5.1136      1.00000
      2       1.4114      1.00000
      3       5.0936      1.00000
      4       5.0936      1.00000
      5       7.8866      0.00000
      6       9.4768      0.00000
      7       9.4768      0.00000
      8      13.3858      0.00000
      9      13.4001      0.00000

 k-point   133 :       0.2949    0.2949    0.2949
  band No.  band energies     occupation
      1      -5.0230      1.00000
      2       1.1889      1.00000
      3       5.0555      1.00000
      4       5.0555      1.00000
      5       7.8447      0.00000
      6       9.4740      0.00000
      7       9.4740      0.00000
      8      13.5089      0.00000
      9      13.5480      0.00000

 k-point   134 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation
      1      -4.9296      1.00000
      2       0.9711      1.00000
      3       5.0194      1.00000
      4       5.0194      1.00000
      5       7.8050      0.00000
      6       9.4657      0.00000
      7       9.4657      0.00000
      8      13.6471      0.00000
      9      13.6556      0.00000

 k-point   135 :       0.3205    0.3205    0.3205
  band No.  band energies     occupation
      1      -4.8339      1.00000
      2       0.7584      1.00000
      3       4.9855      1.00000
      4       4.9855      1.00000
      5       7.7674      0.00000
      6       9.4530      0.00000
      7       9.4530      0.00000
      8      13.7175      0.00000
      9      13.7993      0.00000

 k-point   136 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation
      1      -4.7362      1.00000
      2       0.5501      1.00000
      3       4.9537      1.00000
      4       4.9537      1.00000
      5       7.7321      0.00000
      6       9.4370      0.00000
      7       9.4370      0.00000
      8      13.7426      0.00000
      9      13.9636      0.00000

 k-point   137 :       0.3462    0.3462    0.3462
  band No.  band energies     occupation
      1      -4.6368      1.00000
      2       0.3493      1.00000
      3       4.9243      1.00000
      4       4.9243      1.00000
      5       7.6992      0.00000
      6       9.4201      0.00000
      7       9.4201      0.00000
      8      13.7411      0.00000
      9      14.1460      0.00000

 k-point   138 :       0.3590    0.3590    0.3590
  band No.  band energies     occupation
      1      -4.5365      1.00000
      2       0.1553      1.00000
      3       4.8972      1.00000
      4       4.8972      1.00000
      5       7.6688      0.00000
      6       9.4002      0.00000
      7       9.4002      0.00000
      8      13.7253      0.00000
      9      14.3342      0.00000

 k-point   139 :       0.3718    0.3718    0.3718
  band No.  band energies     occupation
      1      -4.4359      1.00000
      2      -0.0310      1.00000
      3       4.8723      1.00000
      4       4.8723      1.00000
      5       7.6409      0.00000
      6       9.3797      0.00000
      7       9.3797      0.00000
      8      13.7013      0.00000
      9      14.5313      0.00000

 k-point   140 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation
      1      -4.3359      1.00000
      2      -0.2087      1.00000
      3       4.8498      1.00000
      4       4.8498      1.00000
      5       7.6156      0.00000
      6       9.3592      0.00000
      7       9.3592      0.00000
      8      13.6731      0.00000
      9      14.7372      0.00000

 k-point   141 :       0.3974    0.3974    0.3974
  band No.  band energies     occupation
      1      -4.2377      1.00000
      2      -0.3766      1.00000
      3       4.8297      1.00000
      4       4.8297      1.00000
      5       7.5928      0.00000
      6       9.3394      0.00000
      7       9.3394      0.00000
      8      13.6438      0.00000
      9      14.9521      0.00000

 k-point   142 :       0.4103    0.4103    0.4103
  band No.  band energies     occupation
      1      -4.1427      1.00000
      2      -0.5332      1.00000
      3       4.8119      1.00000
      4       4.8119      1.00000
      5       7.5727      0.00000
      6       9.3208      0.00000
      7       9.3208      0.00000
      8      13.6153      0.00000
      9      15.1740      0.00000

 k-point   143 :       0.4231    0.4231    0.4231
  band No.  band energies     occupation
      1      -4.0526      1.00000
      2      -0.6769      1.00000
      3       4.7965      1.00000
      4       4.7965      1.00000
      5       7.5552      0.00000
      6       9.3038      0.00000
      7       9.3038      0.00000
      8      13.5889      0.00000
      9      15.4030      0.00000

 k-point   144 :       0.4359    0.4359    0.4359
  band No.  band energies     occupation
      1      -3.9694      1.00000
      2      -0.8054      1.00000
      3       4.7834      1.00000
      4       4.7834      1.00000
      5       7.5388      0.00000
      6       9.2889      0.00000
      7       9.2889      0.00000
      8      13.5653      0.00000
      9      15.6358      0.00000

 k-point   145 :       0.4487    0.4487    0.4487
  band No.  band energies     occupation
      1      -3.8956      1.00000
      2      -0.9163      1.00000
      3       4.7727      1.00000
      4       4.7727      1.00000
      5       7.5266      0.00000
      6       9.2763      0.00000
      7       9.2763      0.00000
      8      13.5455      0.00000
      9      15.8724      0.00000

 k-point   146 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation
      1      -3.8340      1.00000
      2      -1.0068      1.00000
      3       4.7644      1.00000
      4       4.7644      1.00000
      5       7.5171      0.00000
      6       9.2662      0.00000
      7       9.2662      0.00000
      8      13.5297      0.00000
      9      16.1069      0.00000

 k-point   147 :       0.4744    0.4744    0.4744
  band No.  band energies     occupation
      1      -3.7873      1.00000
      2      -1.0741      1.00000
      3       4.7584      1.00000
      4       4.7584      1.00000
      5       7.5103      0.00000
      6       9.2589      0.00000
      7       9.2589      0.00000
      8      13.5182      0.00000
      9      16.3319      0.00000

 k-point   148 :       0.4872    0.4872    0.4872
  band No.  band energies     occupation
      1      -3.7576      1.00000
      2      -1.1155      1.00000
      3       4.7555      1.00000
      4       4.7555      1.00000
      5       7.5065      0.00000
      6       9.2552      0.00000
      7       9.2552      0.00000
      8      13.5116      0.00000
      9      16.5466      0.00000

 k-point   149 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation
      1      -3.7477      1.00000
      2      -1.1296      1.00000
      3       4.7543      1.00000
      4       4.7543      1.00000
      5       7.5052      0.00000
      6       9.2537      0.00000
      7       9.2537      0.00000
      8      13.5093      0.00000
      9      16.6494      0.00000

 k-point   150 :       0.5000    0.4919    0.5081
  band No.  band energies     occupation
      1      -3.7454      1.00000
      2      -1.1283      1.00000
      3       4.7316      1.00000
      4       4.7498      1.00000
      5       7.5261      0.00000
      6       9.2491      0.00000
      7       9.2629      0.00000
      8      13.5212      0.00000
      9      16.5838      0.00000

 k-point   151 :       0.5000    0.4839    0.5161
  band No.  band energies     occupation
      1      -3.7386      1.00000
      2      -1.1244      1.00000
      3       4.6652      1.00000
      4       4.7361      1.00000
      5       7.5859      0.00000
      6       9.2352      0.00000
      7       9.2908      0.00000
      8      13.5561      0.00000
      9      16.4361      0.00000

 k-point   152 :       0.5000    0.4758    0.5242
  band No.  band energies     occupation
      1      -3.7272      1.00000
      2      -1.1178      1.00000
      3       4.5626      1.00000
      4       4.7137      1.00000
      5       7.6774      0.00000
      6       9.2139      0.00000
      7       9.3388      0.00000
      8      13.6118      0.00000
      9      16.1755      0.00000

 k-point   153 :       0.5000    0.4677    0.5323
  band No.  band energies     occupation
      1      -3.7110      1.00000
      2      -1.1088      1.00000
      3       4.4309      1.00000
      4       4.6824      1.00000
      5       7.7911      0.00000
      6       9.1866      0.00000
      7       9.4087      0.00000
      8      13.6848      0.00000
      9      15.8833      0.00000

 k-point   154 :       0.5000    0.4597    0.5403
  band No.  band energies     occupation
      1      -3.6903      1.00000
      2      -1.0974      1.00000
      3       4.2778      1.00000
      4       4.6418      1.00000
      5       7.9170      0.00000
      6       9.1552      0.00000
      7       9.5024      0.00000
      8      13.7692      0.00000
      9      15.5898      0.00000

 k-point   155 :       0.5000    0.4516    0.5484
  band No.  band energies     occupation
      1      -3.6650      1.00000
      2      -1.0837      1.00000
      3       4.1098      1.00000
      4       4.5928      1.00000
      5       8.0468      0.00000
      6       9.1217      0.00000
      7       9.6225      0.00000
      8      13.8579      0.00000
      9      15.3435      0.00000

 k-point   156 :       0.5000    0.4435    0.5565
  band No.  band energies     occupation
      1      -3.6350      1.00000
      2      -1.0680      1.00000
      3       3.9321      1.00000
      4       4.5351      1.00000
      5       8.1742      0.00000
      6       9.0899      0.00000
      7       9.7712      0.00000
      8      13.9408      0.00000
      9      15.0639      0.00000

 k-point   157 :       0.5000    0.4355    0.5645
  band No.  band energies     occupation
      1      -3.6005      1.00000
      2      -1.0507      1.00000
      3       3.7481      1.00000
      4       4.4688      1.00000
      5       8.2949      0.00000
      6       9.0582      0.00000
      7       9.9445      0.00000
      8      14.0048      0.00000
      9      14.8158      0.00000

 k-point   158 :       0.5000    0.4274    0.5726
  band No.  band energies     occupation
      1      -3.5615      1.00000
      2      -1.0319      1.00000
      3       3.5621      1.00000
      4       4.3946      1.00000
      5       8.4076      0.00000
      6       9.0305      0.00000
      7      10.1461      0.00000
      8      14.0370      0.00000
      9      14.5705      0.00000

 k-point   159 :       0.5000    0.4194    0.5806
  band No.  band energies     occupation
      1      -3.5181      1.00000
      2      -1.0121      1.00000
      3       3.3758      1.00000
      4       4.3126      1.00000
      5       8.5123      0.00000
      6       9.0078      0.00000
      7      10.3709      0.00000
      8      14.0267      0.00000
      9      14.3286      0.00000

 k-point   160 :       0.5000    0.4113    0.5887
  band No.  band energies     occupation
      1      -3.4701      1.00000
      2      -0.9919      1.00000
      3       3.1916      1.00000
      4       4.2233      1.00000
      5       8.6109      0.00000
      6       8.9915      0.00000
      7      10.6169      0.00000
      8      13.9729      0.00000
      9      14.0929      0.00000

 k-point   161 :       0.5000    0.4032    0.5968
  band No.  band energies     occupation
      1      -3.4178      1.00000
      2      -0.9717      1.00000
      3       3.0112      1.00000
      4       4.1274      1.00000
      5       8.7048      0.00000
      6       8.9822      0.00000
      7      10.8805      0.00000
      8      13.8602      0.00000
      9      13.8812      0.00000

 k-point   162 :       0.5000    0.3952    0.6048
  band No.  band energies     occupation
      1      -3.3612      1.00000
      2      -0.9525      1.00000
      3       2.8359      1.00000
      4       4.0251      1.00000
      5       8.7952      0.00000
      6       8.9789      0.00000
      7      11.1588      0.00000
      8      13.6328      0.00000
      9      13.7606      0.00000

 k-point   163 :       0.5000    0.3871    0.6129
  band No.  band energies     occupation
      1      -3.3002      1.00000
      2      -0.9348      1.00000
      3       2.6677      1.00000
      4       3.9173      1.00000
      5       8.8846      0.00000
      6       8.9854      0.00000
      7      11.4492      0.00000
      8      13.4094      0.00000
      9      13.6200      0.00000

 k-point   164 :       0.5000    0.3790    0.6210
  band No.  band energies     occupation
      1      -3.2349      1.00000
      2      -0.9196      1.00000
      3       2.5083      1.00000
      4       3.8054      1.00000
      5       8.9739      0.00000
      6       9.0011      0.00000
      7      11.7523      0.00000
      8      13.1931      0.00000
      9      13.4662      0.00000

 k-point   165 :       0.5000    0.3710    0.6290
  band No.  band energies     occupation
      1      -3.1656      1.00000
      2      -0.9083      1.00000
      3       2.3588      1.00000
      4       3.6895      1.00000
      5       9.0241      0.00000
      6       9.0636      0.00000
      7      12.0617      0.00000
      8      12.9802      0.00000
      9      13.3039      0.00000

 k-point   166 :       0.5000    0.3629    0.6371
  band No.  band energies     occupation
      1      -3.0922      1.00000
      2      -0.9020      1.00000
      3       2.2209      1.00000
      4       3.5704      1.00000
      5       9.0554      0.00000
      6       9.1547      0.00000
      7      12.3774      0.00000
      8      12.7731      0.00000
      9      13.1365      0.00000

 k-point   167 :       0.5000    0.3548    0.6452
  band No.  band energies     occupation
      1      -3.0148      1.00000
      2      -0.9021      1.00000
      3       2.0962      1.00000
      4       3.4490      1.00000
      5       9.0947      0.00000
      6       9.2475      0.00000
      7      12.5587      0.00000
      8      12.7079      0.00000
      9      12.9659      0.00000

 k-point   168 :       0.5000    0.3468    0.6532
  band No.  band energies     occupation
      1      -2.9335      1.00000
      2      -0.9099      1.00000
      3       1.9866      1.00000
      4       3.3261      1.00000
      5       9.1423      0.00000
      6       9.3426      0.00000
      7      12.3658      0.00000
      8      12.7949      0.00000
      9      13.0312      0.00000

 k-point   169 :       0.5000    0.3387    0.6613
  band No.  band energies     occupation
      1      -2.8486      1.00000
      2      -0.9269      1.00000
      3       1.8931      1.00000
      4       3.2017      1.00000
      5       9.1967      0.00000
      6       9.4381      0.00000
      7      12.1728      0.00000
      8      12.6226      0.00000
      9      13.3607      0.00000

 k-point   170 :       0.5000    0.3306    0.6694
  band No.  band energies     occupation
      1      -2.7601      1.00000
      2      -0.9541      1.00000
      3       1.8171      1.00000
      4       3.0778      1.00000
      5       9.2589      0.00000
      6       9.5375      0.00000
      7      11.9868      0.00000
      8      12.4523      0.00000
      9      13.6913      0.00000

 k-point   171 :       0.5000    0.3226    0.6774
  band No.  band energies     occupation
      1      -2.6683      1.00000
      2      -0.9920      1.00000
      3       1.7596      1.00000
      4       2.9545      1.00000
      5       9.3299      0.00000
      6       9.6393      0.00000
      7      11.8073      0.00000
      8      12.2841      0.00000
      9      14.0294      0.00000

 k-point   172 :       0.5000    0.3145    0.6855
  band No.  band energies     occupation
      1      -2.5732      1.00000
      2      -1.0411      1.00000
      3       1.7208      1.00000
      4       2.8325      1.00000
      5       9.4062      0.00000
      6       9.7435      0.00000
      7      11.6345      0.00000
      8      12.1182      0.00000
      9      14.3639      0.00000

 k-point   173 :       0.5000    0.3065    0.6935
  band No.  band energies     occupation
      1      -2.4753      1.00000
      2      -1.1013      1.00000
      3       1.7004      1.00000
      4       2.7123      1.00000
      5       9.4881      0.00000
      6       9.8480      0.00000
      7      11.4685      0.00000
      8      11.9552      0.00000
      9      14.6942      0.00000

 k-point   174 :       0.5000    0.2984    0.7016
  band No.  band energies     occupation
      1      -2.3747      1.00000
      2      -1.1716      1.00000
      3       1.6980      1.00000
      4       2.5949      1.00000
      5       9.5766      0.00000
      6       9.9521      0.00000
      7      11.3128      0.00000
      8      11.7959      0.00000
      9      15.0198      0.00000

 k-point   175 :       0.5000    0.2903    0.7097
  band No.  band energies     occupation
      1      -2.2718      1.00000
      2      -1.2512      1.00000
      3       1.7124      1.00000
      4       2.4807      1.00000
      5       9.6704      0.00000
      6      10.0528      0.00000
      7      11.1695      0.00000
      8      11.6408      0.00000
      9      15.3376      0.00000

 k-point   176 :       0.5000    0.2823    0.7177
  band No.  band energies     occupation
      1      -2.1669      1.00000
      2      -1.3386      1.00000
      3       1.7423      1.00000
      4       2.3704      1.00000
      5       9.7685      0.00000
      6      10.1446      0.00000
      7      11.0443      0.00000
      8      11.4906      0.00000
      9      15.6430      0.00000

 k-point   177 :       0.5000    0.2742    0.7258
  band No.  band energies     occupation
      1      -2.0605      1.00000
      2      -1.4325      1.00000
      3       1.7862      1.00000
      4       2.2653      1.00000
      5       9.8712      0.00000
      6      10.2168      0.00000
      7      10.9492      0.00000
      8      11.3476      0.00000
      9      15.9343      0.00000

 k-point   178 :       0.5000    0.2661    0.7339
  band No.  band energies     occupation
      1      -1.9534      1.00000
      2      -1.5314      1.00000
      3       1.8425      1.00000
      4       2.1656      1.00000
      5       9.9739      0.00000
      6      10.2496      0.00000
      7      10.9016      0.00000
      8      11.2123      0.00000
      9      16.2041      0.00000

 k-point   179 :       0.5000    0.2581    0.7419
  band No.  band energies     occupation
      1      -1.8461      1.00000
      2      -1.6341      1.00000
      3       1.9098      1.00000
      4       2.0725      1.00000
      5      10.0739      0.00000
      6      10.2290      0.00000
      7      10.9166      0.00000
      8      11.0892      0.00000
      9      16.4786      0.00000

 k-point   180 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation
      1      -1.7394      1.00000
      2      -1.7394      1.00000
      3       1.9869      1.00000
      4       1.9869      1.00000
      5      10.1637      0.00000
      6      10.1638      0.00000
      7      10.9859      0.00000
      8      10.9859      0.00000
      9      16.6583      0.00000

 k-point   181 :       0.5000    0.2386    0.7386
  band No.  band energies     occupation
      1      -1.7404      1.00000
      2      -1.7404      1.00000
      3       1.9912      1.00000
      4       1.9912      1.00000
      5      10.0810      0.00000
      6      10.0810      0.00000
      7      11.0732      0.00000
      8      11.0732      0.00000
      9      16.6581      0.00000

 k-point   182 :       0.5000    0.2273    0.7273
  band No.  band energies     occupation
      1      -1.7434      1.00000
      2      -1.7434      1.00000
      3       2.0040      1.00000
      4       2.0040      1.00000
      5       9.8930      0.00000
      6       9.8930      0.00000
      7      11.2746      0.00000
      8      11.2746      0.00000
      9      16.6576      0.00000

 k-point   183 :       0.5000    0.2159    0.7159
  band No.  band energies     occupation
      1      -1.7483      1.00000
      2      -1.7483      1.00000
      3       2.0252      1.00000
      4       2.0252      1.00000
      5       9.6670      0.00000
      6       9.6670      0.00000
      7      11.5231      0.00000
      8      11.5231      0.00000
      9      16.6568      0.00000

 k-point   184 :       0.5000    0.2045    0.7045
  band No.  band energies     occupation
      1      -1.7550      1.00000
      2      -1.7550      1.00000
      3       2.0545      1.00000
      4       2.0545      1.00000
      5       9.4286      0.00000
      6       9.4287      0.00000
      7      11.7920      0.00000
      8      11.7921      0.00000
      9      16.6540      0.00000

 k-point   185 :       0.5000    0.1932    0.6932
  band No.  band energies     occupation
      1      -1.7631      1.00000
      2      -1.7631      1.00000
      3       2.0920      1.00000
      4       2.0920      1.00000
      5       9.1896      0.00000
      6       9.1896      0.00000
      7      12.0757      0.00000
      8      12.0758      0.00000
      9      16.6528      0.00000

 k-point   186 :       0.5000    0.1818    0.6818
  band No.  band energies     occupation
      1      -1.7730      1.00000
      2      -1.7730      1.00000
      3       2.1363      1.00000
      4       2.1363      1.00000
      5       8.9506      0.00000
      6       8.9506      0.00000
      7      12.3631      0.00000
      8      12.3631      0.00000
      9      16.6514      0.00000

 k-point   187 :       0.5000    0.1705    0.6705
  band No.  band energies     occupation
      1      -1.7838      1.00000
      2      -1.7838      1.00000
      3       2.1876      1.00000
      4       2.1876      1.00000
      5       8.7159      0.00000
      6       8.7159      0.00000
      7      12.6566      0.00000
      8      12.6567      0.00000
      9      16.6501      0.00000

 k-point   188 :       0.5000    0.1591    0.6591
  band No.  band energies     occupation
      1      -1.7955      1.00000
      2      -1.7955      1.00000
      3       2.2451      1.00000
      4       2.2451      1.00000
      5       8.4866      0.00000
      6       8.4867      0.00000
      7      12.9540      0.00000
      8      12.9540      0.00000
      9      16.6490      0.00000

 k-point   189 :       0.5000    0.1477    0.6477
  band No.  band energies     occupation
      1      -1.8079      1.00000
      2      -1.8079      1.00000
      3       2.3081      1.00000
      4       2.3081      1.00000
      5       8.2639      0.00000
      6       8.2639      0.00000
      7      13.2541      0.00000
      8      13.2541      0.00000
      9      16.6481      0.00000

 k-point   190 :       0.5000    0.1364    0.6364
  band No.  band energies     occupation
      1      -1.8206      1.00000
      2      -1.8206      1.00000
      3       2.3757      1.00000
      4       2.3757      1.00000
      5       8.0487      0.00000
      6       8.0487      0.00000
      7      13.5547      0.00000
      8      13.5547      0.00000
      9      16.6476      0.00000

 k-point   191 :       0.5000    0.1250    0.6250
  band No.  band energies     occupation
      1      -1.8333      1.00000
      2      -1.8333      1.00000
      3       2.4470      1.00000
      4       2.4470      1.00000
      5       7.8424      0.00000
      6       7.8424      0.00000
      7      13.8583      0.00000
      8      13.8584      0.00000
      9      16.6548      0.00000

 k-point   192 :       0.5000    0.1136    0.6136
  band No.  band energies     occupation
      1      -1.8458      1.00000
      2      -1.8458      1.00000
      3       2.5209      1.00000
      4       2.5209      1.00000
      5       7.6453      0.00000
      6       7.6453      0.00000
      7      14.1604      0.00000
      8      14.1606      0.00000
      9      16.6568      0.00000

 k-point   193 :       0.5000    0.1023    0.6023
  band No.  band energies     occupation
      1      -1.8579      1.00000
      2      -1.8579      1.00000
      3       2.5961      1.00000
      4       2.5961      1.00000
      5       7.4590      0.00000
      6       7.4590      0.00000
      7      14.4605      0.00000
      8      14.4606      0.00000
      9      16.6610      0.00000

 k-point   194 :       0.5000    0.0909    0.5909
  band No.  band energies     occupation
      1      -1.8694      1.00000
      2      -1.8694      1.00000
      3       2.6712      1.00000
      4       2.6712      1.00000
      5       7.2848      0.00000
      6       7.2848      0.00000
      7      14.7564      0.00000
      8      14.7564      0.00000
      9      16.6683      0.00000

 k-point   195 :       0.5000    0.0795    0.5795
  band No.  band energies     occupation
      1      -1.8800      1.00000
      2      -1.8800      1.00000
      3       2.7447      1.00000
      4       2.7447      1.00000
      5       7.1241      0.00000
      6       7.1242      0.00000
      7      15.0448      0.00000
      8      15.0449      0.00000
      9      16.6804      0.00000

 k-point   196 :       0.5000    0.0682    0.5682
  band No.  band energies     occupation
      1      -1.8894      1.00000
      2      -1.8894      1.00000
      3       2.8154      1.00000
      4       2.8154      1.00000
      5       6.9803      0.00000
      6       6.9804      0.00000
      7      15.3241      0.00000
      8      15.3243      0.00000
      9      16.7097      0.00000

 k-point   197 :       0.5000    0.0568    0.5568
  band No.  band energies     occupation
      1      -1.8977      1.00000
      2      -1.8977      1.00000
      3       2.8799      1.00000
      4       2.8800      1.00000
      5       6.8522      0.00000
      6       6.8522      0.00000
      7      15.5794      0.00000
      8      15.5797      0.00000
      9      16.7409      0.00000

 k-point   198 :       0.5000    0.0455    0.5455
  band No.  band energies     occupation
      1      -1.9047      1.00000
      2      -1.9047      1.00000
      3       2.9370      1.00000
      4       2.9370      1.00000
      5       6.7434      0.00000
      6       6.7434      0.00000
      7      15.8035      0.00000
      8      15.8052      0.00000
      9      16.7907      0.00000

 k-point   199 :       0.5000    0.0341    0.5341
  band No.  band energies     occupation
      1      -1.9103      1.00000
      2      -1.9103      1.00000
      3       2.9842      1.00000
      4       2.9842      1.00000
      5       6.6558      0.00000
      6       6.6558      0.00000
      7      15.9810      0.00000
      8      15.9821      0.00000
      9      16.8626      0.00000

 k-point   200 :       0.5000    0.0227    0.5227
  band No.  band energies     occupation
      1      -1.9143      1.00000
      2      -1.9143      1.00000
      3       3.0197      1.00000
      4       3.0197      1.00000
      5       6.5916      0.00000
      6       6.5916      0.00000
      7      16.1028      0.00000
      8      16.1070      0.00000
      9      16.9513      0.00000

 k-point   201 :       0.5000    0.0114    0.5114
  band No.  band energies     occupation
      1      -1.9168      1.00000
      2      -1.9168      1.00000
      3       3.0420      1.00000
      4       3.0420      1.00000
      5       6.5527      0.00000
      6       6.5527      0.00000
      7      16.1723      0.00000
      8      16.1759      0.00000
      9      17.0348      0.00000

 k-point   202 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation
      1      -1.9176      1.00000
      2      -1.9176      1.00000
      3       3.0494      1.00000
      4       3.0494      1.00000
      5       6.5394      0.00000
      6       6.5395      0.00000
      7      16.1932      0.00000
      8      16.2073      0.00000
      9      17.0674      0.00000
 Fermi energy:         6.1978103311

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1      -6.1421      1.00000
      2       5.9788      1.00000
      3       5.9788      1.00000
      4       5.9788      1.00000
      5       8.5027      0.00000
      6       8.5027      0.00000
      7       8.5027      0.00000
      8       9.4878      0.00000
      9      13.7380      0.00000

 k-point     2 :       0.0111   -0.0000    0.0111
  band No.  band energies     occupation
      1      -6.1399      1.00000
      2       5.9641      1.00000
      3       5.9688      1.00000
      4       5.9689      1.00000
      5       8.4969      0.00000
      6       8.5154      0.00000
      7       8.5154      0.00000
      8       9.5022      0.00000
      9      13.7486      0.00000

 k-point     3 :       0.0222   -0.0000    0.0222
  band No.  band energies     occupation
      1      -6.1333      1.00000
      2       5.9209      1.00000
      3       5.9396      1.00000
      4       5.9396      1.00000
      5       8.4797      0.00000
      6       8.5527      0.00000
      7       8.5527      0.00000
      8       9.5445      0.00000
      9      13.7447      0.00000

 k-point     4 :       0.0333   -0.0000    0.0333
  band No.  band energies     occupation
      1      -6.1222      1.00000
      2       5.8521      1.00000
      3       5.8936      1.00000
      4       5.8936      1.00000
      5       8.4516      0.00000
      6       8.6135      0.00000
      7       8.6135      0.00000
      8       9.6124      0.00000
      9      13.5947      0.00000

 k-point     5 :       0.0444   -0.0000    0.0444
  band No.  band energies     occupation
      1      -6.1068      1.00000
      2       5.7588      1.00000
      3       5.8314      1.00000
      4       5.8314      1.00000
      5       8.4131      0.00000
      6       8.6946      0.00000
      7       8.6946      0.00000
      8       9.7018      0.00000
      9      13.4534      0.00000

 k-point     6 :       0.0556    0.0000    0.0556
  band No.  band energies     occupation
      1      -6.0870      1.00000
      2       5.6452      1.00000
      3       5.7565      1.00000
      4       5.7566      1.00000
      5       8.3651      0.00000
      6       8.7937      0.00000
      7       8.7937      0.00000
      8       9.8083      0.00000
      9      13.3122      0.00000

 k-point     7 :       0.0667   -0.0000    0.0667
  band No.  band energies     occupation
      1      -6.0628      1.00000
      2       5.5148      1.00000
      3       5.6717      1.00000
      4       5.6717      1.00000
      5       8.3088      0.00000
      6       8.9081      0.00000
      7       8.9081      0.00000
      8       9.9268      0.00000
      9      13.1764      0.00000

 k-point     8 :       0.0778    0.0000    0.0778
  band No.  band energies     occupation
      1      -6.0342      1.00000
      2       5.3706      1.00000
      3       5.5793      1.00000
      4       5.5793      1.00000
      5       8.2451      0.00000
      6       9.0354      0.00000
      7       9.0354      0.00000
      8      10.0516      0.00000
      9      13.0026      0.00000

 k-point     9 :       0.0889   -0.0000    0.0889
  band No.  band energies     occupation
      1      -6.0012      1.00000
      2       5.2150      1.00000
      3       5.4812      1.00000
      4       5.4812      1.00000
      5       8.1752      0.00000
      6       9.1736      0.00000
      7       9.1736      0.00000
      8      10.1761      0.00000
      9      12.8484      0.00000

 k-point    10 :       0.1000    0.0000    0.1000
  band No.  band energies     occupation
      1      -5.9639      1.00000
      2       5.0499      1.00000
      3       5.3791      1.00000
      4       5.3791      1.00000
      5       8.1002      0.00000
      6       9.3208      0.00000
      7       9.3208      0.00000
      8      10.2918      0.00000
      9      12.6933      0.00000

 k-point    11 :       0.1111    0.0000    0.1111
  band No.  band energies     occupation
      1      -5.9222      1.00000
      2       4.8779      1.00000
      3       5.2745      1.00000
      4       5.2745      1.00000
      5       8.0211      0.00000
      6       9.4759      0.00000
      7       9.4759      0.00000
      8      10.3890      0.00000
      9      12.5722      0.00000

 k-point    12 :       0.1222   -0.0000    0.1222
  band No.  band energies     occupation
      1      -5.8762      1.00000
      2       4.6999      1.00000
      3       5.1685      1.00000
      4       5.1685      1.00000
      5       7.9390      0.00000
      6       9.6377      0.00000
      7       9.6377      0.00000
      8      10.4556      0.00000
      9      12.4861      0.00000

 k-point    13 :       0.1333   -0.0000    0.1333
  band No.  band energies     occupation
      1      -5.8259      1.00000
      2       4.5166      1.00000
      3       5.0602      1.00000
      4       5.0602      1.00000
      5       7.8540      0.00000
      6       9.8040      0.00000
      7       9.8040      0.00000
      8      10.4801      0.00000
      9      12.4475      0.00000

 k-point    14 :       0.1444    0.0000    0.1444
  band No.  band energies     occupation
      1      -5.7712      1.00000
      2       4.3298      1.00000
      3       4.9538      1.00000
      4       4.9538      1.00000
      5       7.7683      0.00000
      6       9.9763      0.00000
      7       9.9763      0.00000
      8      10.4556      0.00000
      9      12.4640      0.00000

 k-point    15 :       0.1556    0.0000    0.1556
  band No.  band energies     occupation
      1      -5.7122      1.00000
      2       4.1394      1.00000
      3       4.8480      1.00000
      4       4.8480      1.00000
      5       7.6819      0.00000
      6      10.1515      0.00000
      7      10.1515      0.00000
      8      10.3823      0.00000
      9      12.5358      0.00000

 k-point    16 :       0.1667   -0.0000    0.1667
  band No.  band energies     occupation
      1      -5.6490      1.00000
      2       3.9468      1.00000
      3       4.7435      1.00000
      4       4.7435      1.00000
      5       7.5954      0.00000
      6      10.2711      0.00000
      7      10.3317      0.00000
      8      10.3317      0.00000
      9      12.6485      0.00000

 k-point    17 :       0.1778   -0.0000    0.1778
  band No.  band energies     occupation
      1      -5.5814      1.00000
      2       3.7521      1.00000
      3       4.6407      1.00000
      4       4.6407      1.00000
      5       7.5096      0.00000
      6      10.1318      0.00000
      7      10.5151      0.00000
      8      10.5151      0.00000
      9      12.7996      0.00000

 k-point    18 :       0.1889   -0.0000    0.1889
  band No.  band energies     occupation
      1      -5.5096      1.00000
      2       3.5556      1.00000
      3       4.5399      1.00000
      4       4.5399      1.00000
      5       7.4248      0.00000
      6       9.9755      0.00000
      7      10.7028      0.00000
      8      10.7028      0.00000
      9      12.9802      0.00000

 k-point    19 :       0.2000    0.0000    0.2000
  band No.  band energies     occupation
      1      -5.4336      1.00000
      2       3.3576      1.00000
      3       4.4413      1.00000
      4       4.4413      1.00000
      5       7.3416      0.00000
      6       9.8060      0.00000
      7      10.8918      0.00000
      8      10.8918      0.00000
      9      13.1807      0.00000

 k-point    20 :       0.2111   -0.0000    0.2111
  band No.  band energies     occupation
      1      -5.3534      1.00000
      2       3.1585      1.00000
      3       4.3452      1.00000
      4       4.3452      1.00000
      5       7.2602      0.00000
      6       9.6301      0.00000
      7      11.0830      0.00000
      8      11.0830      0.00000
      9      13.3827      0.00000

 k-point    21 :       0.2222    0.0000    0.2222
  band No.  band energies     occupation
      1      -5.2690      1.00000
      2       2.9584      1.00000
      3       4.2517      1.00000
      4       4.2517      1.00000
      5       7.1812      0.00000
      6       9.4513      0.00000
      7      11.2764      0.00000
      8      11.2764      0.00000
      9      13.6064      0.00000

 k-point    22 :       0.2333    0.0000    0.2333
  band No.  band energies     occupation
      1      -5.1804      1.00000
      2       2.7575      1.00000
      3       4.1611      1.00000
      4       4.1611      1.00000
      5       7.1047      0.00000
      6       9.2723      0.00000
      7      11.4717      0.00000
      8      11.4717      0.00000
      9      13.9371      0.00000

 k-point    23 :       0.2444   -0.0000    0.2444
  band No.  band energies     occupation
      1      -5.0878      1.00000
      2       2.5559      1.00000
      3       4.0733      1.00000
      4       4.0734      1.00000
      5       7.0312      0.00000
      6       9.0946      0.00000
      7      11.6675      0.00000
      8      11.6675      0.00000
      9      14.0628      0.00000

 k-point    24 :       0.2556   -0.0000    0.2556
  band No.  band energies     occupation
      1      -4.9910      1.00000
      2       2.3540      1.00000
      3       3.9889      1.00000
      4       3.9889      1.00000
      5       6.9608      0.00000
      6       8.9198      0.00000
      7      11.8660      0.00000
      8      11.8660      0.00000
      9      14.3473      0.00000

 k-point    25 :       0.2667   -0.0000    0.2667
  band No.  band energies     occupation
      1      -4.8900      1.00000
      2       2.1518      1.00000
      3       3.9077      1.00000
      4       3.9077      1.00000
      5       6.8945      0.00000
      6       8.7492      0.00000
      7      12.0700      0.00000
      8      12.0700      0.00000
      9      14.5353      0.00000

 k-point    26 :       0.2778   -0.0000    0.2778
  band No.  band energies     occupation
      1      -4.7852      1.00000
      2       1.9495      1.00000
      3       3.8298      1.00000
      4       3.8298      1.00000
      5       6.8311      0.00000
      6       8.5827      0.00000
      7      12.2714      0.00000
      8      12.2714      0.00000
      9      14.7716      0.00000

 k-point    27 :       0.2889    0.0000    0.2889
  band No.  band energies     occupation
      1      -4.6763      1.00000
      2       1.7471      1.00000
      3       3.7552      1.00000
      4       3.7552      1.00000
      5       6.7715      0.00000
      6       8.4213      0.00000
      7      12.4740      0.00000
      8      12.4740      0.00000
      9      15.0139      0.00000

 k-point    28 :       0.3000    0.0000    0.3000
  band No.  band energies     occupation
      1      -4.5635      1.00000
      2       1.5449      1.00000
      3       3.6842      1.00000
      4       3.6842      1.00000
      5       6.7159      0.00000
      6       8.2653      0.00000
      7      12.6779      0.00000
      8      12.6779      0.00000
      9      15.2650      0.00000

 k-point    29 :       0.3111    0.0000    0.3111
  band No.  band energies     occupation
      1      -4.4468      1.00000
      2       1.3429      1.00000
      3       3.6167      1.00000
      4       3.6167      1.00000
      5       6.6644      0.00000
      6       8.1151      0.00000
      7      12.8829      0.00000
      8      12.8830      0.00000
      9      15.5371      0.00000

 k-point    30 :       0.3222    0.0000    0.3222
  band No.  band energies     occupation
      1      -4.3262      1.00000
      2       1.1414      1.00000
      3       3.5528      1.00000
      4       3.5528      1.00000
      5       6.6172      0.00000
      6       7.9710      0.00000
      7      13.0891      0.00000
      8      13.0891      0.00000
      9      15.7598      0.00000

 k-point    31 :       0.3333   -0.0000    0.3333
  band No.  band energies     occupation
      1      -4.2018      1.00000
      2       0.9403      1.00000
      3       3.4918      1.00000
      4       3.4918      1.00000
      5       6.5744      0.00000
      6       7.8325      0.00000
      7      13.2959      0.00000
      8      13.2960      0.00000
      9      15.9052      0.00000

 k-point    32 :       0.3444   -0.0000    0.3444
  band No.  band energies     occupation
      1      -4.0733      1.00000
      2       0.7399      1.00000
      3       3.4353      1.00000
      4       3.4353      1.00000
      5       6.5372      0.00000
      6       7.7010      0.00000
      7      13.5045      0.00000
      8      13.5046      0.00000
      9      16.0662      0.00000

 k-point    33 :       0.3556   -0.0000    0.3556
  band No.  band energies     occupation
      1      -3.9414      1.00000
      2       0.5404      1.00000
      3       3.3825      1.00000
      4       3.3826      1.00000
      5       6.5036      0.00000
      6       7.5759      0.00000
      7      13.7138      0.00000
      8      13.7138      0.00000
      9      16.3950      0.00000

 k-point    34 :       0.3667   -0.0000    0.3667
  band No.  band energies     occupation
      1      -3.8058      1.00000
      2       0.3418      1.00000
      3       3.3336      1.00000
      4       3.3336      1.00000
      5       6.4748      0.00000
      6       7.4574      0.00000
      7      13.9240      0.00000
      8      13.9240      0.00000
      9      16.3711      0.00000

 k-point    35 :       0.3778   -0.0000    0.3778
  band No.  band energies     occupation
      1      -3.6666      1.00000
      2       0.1444      1.00000
      3       3.2884      1.00000
      4       3.2884      1.00000
      5       6.4509      0.00000
      6       7.3454      0.00000
      7      14.1351      0.00000
      8      14.1355      0.00000
      9      16.5418      0.00000

 k-point    36 :       0.3889   -0.0000    0.3889
  band No.  band energies     occupation
      1      -3.5239      1.00000
      2      -0.0519      1.00000
      3       3.2470      1.00000
      4       3.2470      1.00000
      5       6.4320      0.00000
      6       7.2400      0.00000
      7      14.3469      0.00000
      8      14.3469      0.00000
      9      16.7411      0.00000

 k-point    37 :       0.4000    0.0000    0.4000
  band No.  band energies     occupation
      1      -3.3777      1.00000
      2      -0.2475      1.00000
      3       3.2094      1.00000
      4       3.2094      1.00000
      5       6.4180      0.00000
      6       7.1398      0.00000
      7      14.5579      0.00000
      8      14.5579      0.00000
      9      16.8620      0.00000

 k-point    38 :       0.4111    0.0000    0.4111
  band No.  band energies     occupation
      1      -3.2280      1.00000
      2      -0.4407      1.00000
      3       3.1760      1.00000
      4       3.1760      1.00000
      5       6.4101      0.00000
      6       7.0478      0.00000
      7      14.7779      0.00000
      8      14.7781      0.00000
      9      17.0439      0.00000

 k-point    39 :       0.4222   -0.0000    0.4222
  band No.  band energies     occupation
      1      -3.0750      1.00000
      2      -0.6325      1.00000
      3       3.1463      1.00000
      4       3.1463      1.00000
      5       6.4067      0.00000
      6       6.9620      0.00000
      7      14.9904      0.00000
      8      14.9904      0.00000
      9      17.2326      0.00000

 k-point    40 :       0.4333    0.0000    0.4333
  band No.  band energies     occupation
      1      -2.9188      1.00000
      2      -0.8224      1.00000
      3       3.1206      1.00000
      4       3.1206      1.00000
      5       6.4087      0.00000
      6       6.8826      0.00000
      7      15.2020      0.00000
      8      15.2020      0.00000
      9      17.4654      0.00000

 k-point    41 :       0.4444    0.0000    0.4444
  band No.  band energies     occupation
      1      -2.7594      1.00000
      2      -1.0104      1.00000
      3       3.0988      1.00000
      4       3.0988      1.00000
      5       6.4162      0.00000
      6       6.8096      0.00000
      7      15.4116      0.00000
      8      15.4116      0.00000
      9      17.6053      0.00000

 k-point    42 :       0.4556    0.0000    0.4556
  band No.  band energies     occupation
      1      -2.5969      1.00000
      2      -1.1964      1.00000
      3       3.0812      1.00000
      4       3.0812      1.00000
      5       6.4302      0.00000
      6       6.7437      0.00000
      7      15.6239      0.00000
      8      15.6241      0.00000
      9      17.7042      0.00000

 k-point    43 :       0.4667    0.0000    0.4667
  band No.  band energies     occupation
      1      -2.4313      1.00000
      2      -1.3803      1.00000
      3       3.0673      1.00000
      4       3.0673      1.00000
      5       6.4488      0.00000
      6       6.6833      0.00000
      7      15.8207      0.00000
      8      15.8208      0.00000
      9      17.4680      0.00000

 k-point    44 :       0.4778    0.0000    0.4778
  band No.  band energies     occupation
      1      -2.2629      1.00000
      2      -1.5618      1.00000
      3       3.0574      1.00000
      4       3.0574      1.00000
      5       6.4732      0.00000
      6       6.6291      0.00000
      7      15.9992      0.00000
      8      15.9993      0.00000
      9      17.2660      0.00000

 k-point    45 :       0.4889   -0.0000    0.4889
  band No.  band energies     occupation
      1      -2.0916      1.00000
      2      -1.7409      1.00000
      3       3.0514      1.00000
      4       3.0514      1.00000
      5       6.5034      0.00000
      6       6.5815      0.00000
      7      16.1373      0.00000
      8      16.1385      0.00000
      9      17.1250      0.00000

 k-point    46 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation
      1      -1.9176      1.00000
      2      -1.9176      1.00000
      3       3.0494      1.00000
      4       3.0494      1.00000
      5       6.5394      0.00000
      6       6.5395      0.00000
      7      16.1932      0.00000
      8      16.2005      0.00000
      9      17.0673      0.00000

 k-point    47 :       0.5083    0.0167    0.5083
  band No.  band energies     occupation
      1      -1.9185      1.00000
      2      -1.9149      1.00000
      3       3.0314      1.00000
      4       3.0514      1.00000
      5       6.5418      0.00000
      6       6.5655      0.00000
      7      16.1660      0.00000
      8      16.1789      0.00000
      9      17.0289      0.00000

 k-point    48 :       0.5167    0.0333    0.5167
  band No.  band energies     occupation
      1      -1.9212      1.00000
      2      -1.9069      1.00000
      3       2.9792      1.00000
      4       3.0574      1.00000
      5       6.5487      0.00000
      6       6.6419      0.00000
      7      16.0838      0.00000
      8      16.1368      0.00000
      9      16.9329      0.00000

 k-point    49 :       0.5250    0.0500    0.5250
  band No.  band energies     occupation
      1      -1.9260      1.00000
      2      -1.8937      1.00000
      3       2.8969      1.00000
      4       3.0674      1.00000
      5       6.5603      0.00000
      6       6.7636      0.00000
      7      15.9552      0.00000
      8      16.0622      0.00000
      9      16.7645      0.00000

 k-point    50 :       0.5333    0.0667    0.5333
  band No.  band energies     occupation
      1      -1.9331      1.00000
      2      -1.8751      1.00000
      3       2.7918      1.00000
      4       3.0813      1.00000
      5       6.5766      0.00000
      6       6.9256      0.00000
      7      15.7961      0.00000
      8      15.9683      0.00000
      9      16.5688      0.00000

 k-point    51 :       0.5417    0.0833    0.5417
  band No.  band energies     occupation
      1      -1.9429      1.00000
      2      -1.8512      1.00000
      3       2.6697      1.00000
      4       3.0990      1.00000
      5       6.5966      0.00000
      6       7.1200      0.00000
      7      15.6154      0.00000
      8      15.8549      0.00000
      9      16.3470      0.00000

 k-point    52 :       0.5500    0.1000    0.5500
  band No.  band energies     occupation
      1      -1.9558      1.00000
      2      -1.8220      1.00000
      3       2.5375      1.00000
      4       3.1208      1.00000
      5       6.6213      0.00000
      6       7.3430      0.00000
      7      15.4184      0.00000
      8      15.7312      0.00000
      9      16.1599      0.00000

 k-point    53 :       0.5583    0.1167    0.5583
  band No.  band energies     occupation
      1      -1.9724      1.00000
      2      -1.7875      1.00000
      3       2.4003      1.00000
      4       3.1465      1.00000
      5       6.6513      0.00000
      6       7.5890      0.00000
      7      15.2083      0.00000
      8      15.5893      0.00000
      9      15.8876      0.00000

 k-point    54 :       0.5667    0.1333    0.5667
  band No.  band energies     occupation
      1      -1.9934      1.00000
      2      -1.7477      1.00000
      3       2.2625      1.00000
      4       3.1761      1.00000
      5       6.6857      0.00000
      6       7.8539      0.00000
      7      14.9948      0.00000
      8      15.4760      0.00000
      9      15.7823      0.00000

 k-point    55 :       0.5750    0.1500    0.5750
  band No.  band energies     occupation
      1      -2.0195      1.00000
      2      -1.7026      1.00000
      3       2.1278      1.00000
      4       3.2096      1.00000
      5       6.7247      0.00000
      6       8.1347      0.00000
      7      14.7779      0.00000
      8      15.2794      0.00000
      9      15.4502      0.00000

 k-point    56 :       0.5833    0.1667    0.5833
  band No.  band energies     occupation
      1      -2.0516      1.00000
      2      -1.6522      1.00000
      3       1.9994      1.00000
      4       3.2468      1.00000
      5       6.7680      0.00000
      6       8.4290      0.00000
      7      14.5602      0.00000
      8      15.1318      0.00000
      9      15.2046      0.00000

 k-point    57 :       0.5917    0.1833    0.5917
  band No.  band energies     occupation
      1      -2.0903      1.00000
      2      -1.5965      1.00000
      3       1.8796      1.00000
      4       3.2877      1.00000
      5       6.8157      0.00000
      6       8.7348      0.00000
      7      14.3421      0.00000
      8      14.9358      0.00000
      9      14.9859      0.00000

 k-point    58 :       0.6000    0.2000    0.6000
  band No.  band energies     occupation
      1      -2.1364      1.00000
      2      -1.5356      1.00000
      3       1.7707      1.00000
      4       3.3322      1.00000
      5       6.8677      0.00000
      6       9.0505      0.00000
      7      14.1249      0.00000
      8      14.6987      0.00000
      9      14.8120      0.00000

 k-point    59 :       0.6083    0.2167    0.6083
  band No.  band energies     occupation
      1      -2.1905      1.00000
      2      -1.4695      1.00000
      3       1.6742      1.00000
      4       3.3803      1.00000
      5       6.9239      0.00000
      6       9.3747      0.00000
      7      13.9088      0.00000
      8      14.4725      0.00000
      9      14.6228      0.00000

 k-point    60 :       0.6167    0.2333    0.6167
  band No.  band energies     occupation
      1      -2.2533      1.00000
      2      -1.3981      1.00000
      3       1.5912      1.00000
      4       3.4319      1.00000
      5       6.9842      0.00000
      6       9.7045      0.00000
      7      13.6944      0.00000
      8      14.2505      0.00000
      9      14.4506      0.00000

 k-point    61 :       0.6250    0.2500    0.6250
  band No.  band energies     occupation
      1      -2.3245      1.00000
      2      -1.3215      1.00000
      3       1.5232      1.00000
      4       3.4868      1.00000
      5       7.0485      0.00000
      6      10.0419      0.00000
      7      13.4830      0.00000
      8      14.0380      0.00000
      9      14.4251      0.00000

 k-point    62 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation
      1      -2.3245      1.00000
      2      -1.3215      1.00000
      3       1.5232      1.00000
      4       3.4868      1.00000
      5       7.0485      0.00000
      6      10.0419      0.00000
      7      13.4830      0.00000
      8      14.0341      0.00000
      9      14.2877      0.00000

 k-point    63 :       0.3672    0.3672    0.7344
  band No.  band energies     occupation
      1      -2.3990      1.00000
      2      -1.2449      1.00000
      3       1.4733      1.00000
      4       3.5414      1.00000
      5       7.1124      0.00000
      6      10.3622      0.00000
      7      13.2874      0.00000
      8      13.8377      0.00000
      9      14.2365      0.00000

 k-point    64 :       0.3594    0.3594    0.7188
  band No.  band energies     occupation
      1      -2.4809      1.00000
      2      -1.1635      1.00000
      3       1.4370      1.00000
      4       3.5988      1.00000
      5       7.1799      0.00000
      6      10.6858      0.00000
      7      13.0961      0.00000
      8      13.6502      0.00000
      9      13.9769      0.00000

 k-point    65 :       0.3516    0.3516    0.7031
  band No.  band energies     occupation
      1      -2.5697      1.00000
      2      -1.0775      1.00000
      3       1.4143      1.00000
      4       3.6589      1.00000
      5       7.2501      0.00000
      6      11.0088      0.00000
      7      12.9062      0.00000
      8      13.4664      0.00000
      9      13.8191      0.00000

 k-point    66 :       0.3438    0.3438    0.6875
  band No.  band energies     occupation
      1      -2.6651      1.00000
      2      -0.9872      1.00000
      3       1.4045      1.00000
      4       3.7214      1.00000
      5       7.3236      0.00000
      6      11.3270      0.00000
      7      12.7193      0.00000
      8      13.2970      0.00000
      9      13.7211      0.00000

 k-point    67 :       0.3359    0.3359    0.6719
  band No.  band energies     occupation
      1      -2.7663      1.00000
      2      -0.8924      1.00000
      3       1.4074      1.00000
      4       3.7865      1.00000
      5       7.4000      0.00000
      6      11.6316      0.00000
      7      12.5358      0.00000
      8      13.1483      0.00000
      9      13.5238      0.00000

 k-point    68 :       0.3281    0.3281    0.6562
  band No.  band energies     occupation
      1      -2.8726      1.00000
      2      -0.7931      1.00000
      3       1.4224      1.00000
      4       3.8538      1.00000
      5       7.4791      0.00000
      6      11.9010      0.00000
      7      12.3556      0.00000
      8      13.0423      0.00000
      9      13.4238      0.00000

 k-point    69 :       0.3203    0.3203    0.6406
  band No.  band energies     occupation
      1      -2.9831      1.00000
      2      -0.6892      1.00000
      3       1.4488      1.00000
      4       3.9233      1.00000
      5       7.5607      0.00000
      6      12.0863      0.00000
      7      12.1790      0.00000
      8      13.0270      0.00000
      9      13.3958      0.00000

 k-point    70 :       0.3125    0.3125    0.6250
  band No.  band energies     occupation
      1      -3.0974      1.00000
      2      -0.5809      1.00000
      3       1.4859      1.00000
      4       3.9948      1.00000
      5       7.6446      0.00000
      6      12.0036      0.00000
      7      12.1338      0.00000
      8      13.0806      0.00000
      9      13.1626      0.00000

 k-point    71 :       0.3047    0.3047    0.6094
  band No.  band energies     occupation
      1      -3.2143      1.00000
      2      -0.4682      1.00000
      3       1.5333      1.00000
      4       4.0681      1.00000
      5       7.7306      0.00000
      6      11.8343      0.00000
      7      12.0702      0.00000
      8      12.9439      0.00000
      9      13.1389      0.00000

 k-point    72 :       0.2969    0.2969    0.5938
  band No.  band energies     occupation
      1      -3.3331      1.00000
      2      -0.3510      1.00000
      3       1.5901      1.00000
      4       4.1432      1.00000
      5       7.8183      0.00000
      6      11.6689      0.00000
      7      11.9547      0.00000
      8      12.8124      0.00000
      9      12.9984      0.00000

 k-point    73 :       0.2891    0.2891    0.5781
  band No.  band energies     occupation
      1      -3.4533      1.00000
      2      -0.2294      1.00000
      3       1.6557      1.00000
      4       4.2196      1.00000
      5       7.9074      0.00000
      6      11.5073      0.00000
      7      11.8189      0.00000
      8      12.6856      0.00000
      9      12.8780      0.00000

 k-point    74 :       0.2812    0.2812    0.5625
  band No.  band energies     occupation
      1      -3.5743      1.00000
      2      -0.1034      1.00000
      3       1.7295      1.00000
      4       4.2973      1.00000
      5       7.9975      0.00000
      6      11.3496      0.00000
      7      11.6753      0.00000
      8      12.5638      0.00000
      9      12.7712      0.00000

 k-point    75 :       0.2734    0.2734    0.5469
  band No.  band energies     occupation
      1      -3.6953      1.00000
      2       0.0271      1.00000
      3       1.8112      1.00000
      4       4.3762      1.00000
      5       8.0883      0.00000
      6      11.1963      0.00000
      7      11.5314      0.00000
      8      12.4478      0.00000
      9      12.6596      0.00000

 k-point    76 :       0.2656    0.2656    0.5312
  band No.  band energies     occupation
      1      -3.8161      1.00000
      2       0.1618      1.00000
      3       1.8999      1.00000
      4       4.4556      1.00000
      5       8.1790      0.00000
      6      11.0466      0.00000
      7      11.3856      0.00000
      8      12.3372      0.00000
      9      12.5599      0.00000

 k-point    77 :       0.2578    0.2578    0.5156
  band No.  band energies     occupation
      1      -3.9360      1.00000
      2       0.3008      1.00000
      3       1.9953      1.00000
      4       4.5355      1.00000
      5       8.2693      0.00000
      6      10.9009      0.00000
      7      11.2416      0.00000
      8      12.2329      0.00000
      9      12.4676      0.00000

 k-point    78 :       0.2500    0.2500    0.5000
  band No.  band energies     occupation
      1      -4.0547      1.00000
      2       0.4447      1.00000
      3       2.0974      1.00000
      4       4.6159      1.00000
      5       8.3589      0.00000
      6      10.7607      0.00000
      7      11.1009      0.00000
      8      12.1367      0.00000
      9      12.3840      0.00000

 k-point    79 :       0.2422    0.2422    0.4844
  band No.  band energies     occupation
      1      -4.1721      1.00000
      2       0.5922      1.00000
      3       2.2049      1.00000
      4       4.6959      1.00000
      5       8.4441      0.00000
      6      10.6217      0.00000
      7      10.9585      0.00000
      8      12.0457      0.00000
      9      12.3020      0.00000

 k-point    80 :       0.2344    0.2344    0.4688
  band No.  band energies     occupation
      1      -4.2875      1.00000
      2       0.7439      1.00000
      3       2.3179      1.00000
      4       4.7749      1.00000
      5       8.5285      0.00000
      6      10.4878      0.00000
      7      10.8222      0.00000
      8      11.9632      0.00000
      9      12.2288      0.00000

 k-point    81 :       0.2266    0.2266    0.4531
  band No.  band energies     occupation
      1      -4.4007      1.00000
      2       0.8997      1.00000
      3       2.4360      1.00000
      4       4.8538      1.00000
      5       8.6094      0.00000
      6      10.3587      0.00000
      7      10.6904      0.00000
      8      11.8894      0.00000
      9      12.1688      0.00000

 k-point    82 :       0.2188    0.2188    0.4375
  band No.  band energies     occupation
      1      -4.5114      1.00000
      2       1.0597      1.00000
      3       2.5589      1.00000
      4       4.9317      1.00000
      5       8.6859      0.00000
      6      10.2337      0.00000
      7      10.5621      0.00000
      8      11.8246      0.00000
      9      12.1176      0.00000

 k-point    83 :       0.2109    0.2109    0.4219
  band No.  band energies     occupation
      1      -4.6196      1.00000
      2       1.2236      1.00000
      3       2.6862      1.00000
      4       5.0083      1.00000
      5       8.7566      0.00000
      6      10.1129      0.00000
      7      10.4355      0.00000
      8      11.7692      0.00000
      9      12.0755      0.00000

 k-point    84 :       0.2031    0.2031    0.4062
  band No.  band energies     occupation
      1      -4.7249      1.00000
      2       1.3915      1.00000
      3       2.8177      1.00000
      4       5.0832      1.00000
      5       8.8213      0.00000
      6       9.9964      0.00000
      7      10.3147      0.00000
      8      11.7236      0.00000
      9      12.0427      0.00000

 k-point    85 :       0.1953    0.1953    0.3906
  band No.  band energies     occupation
      1      -4.8271      1.00000
      2       1.5636      1.00000
      3       2.9536      1.00000
      4       5.1561      1.00000
      5       8.8789      0.00000
      6       9.8843      0.00000
      7      10.1983      0.00000
      8      11.6881      0.00000
      9      12.0195      0.00000

 k-point    86 :       0.1875    0.1875    0.3750
  band No.  band energies     occupation
      1      -4.9262      1.00000
      2       1.7393      1.00000
      3       3.0924      1.00000
      4       5.2267      1.00000
      5       8.9287      0.00000
      6       9.7764      0.00000
      7      10.0849      0.00000
      8      11.6621      0.00000
      9      12.0062      0.00000

 k-point    87 :       0.1797    0.1797    0.3594
  band No.  band energies     occupation
      1      -5.0220      1.00000
      2       1.9188      1.00000
      3       3.2343      1.00000
      4       5.2948      1.00000
      5       8.9701      0.00000
      6       9.6728      0.00000
      7       9.9752      0.00000
      8      11.6450      0.00000
      9      12.0029      0.00000

 k-point    88 :       0.1719    0.1719    0.3438
  band No.  band energies     occupation
      1      -5.1144      1.00000
      2       2.1020      1.00000
      3       3.3791      1.00000
      4       5.3610      1.00000
      5       9.0030      0.00000
      6       9.5746      0.00000
      7       9.8693      0.00000
      8      11.6356      0.00000
      9      12.0099      0.00000

 k-point    89 :       0.1641    0.1641    0.3281
  band No.  band energies     occupation
      1      -5.2034      1.00000
      2       2.2884      1.00000
      3       3.5263      1.00000
      4       5.4231      1.00000
      5       9.0265      0.00000
      6       9.4796      0.00000
      7       9.7637      0.00000
      8      11.6319      0.00000
      9      12.0268      0.00000

 k-point    90 :       0.1562    0.1562    0.3125
  band No.  band energies     occupation
      1      -5.2886      1.00000
      2       2.4784      1.00000
      3       3.6756      1.00000
      4       5.4820      1.00000
      5       9.0424      0.00000
      6       9.3890      0.00000
      7       9.6651      0.00000
      8      11.6311      0.00000
      9      12.0542      0.00000

 k-point    91 :       0.1484    0.1484    0.2969
  band No.  band energies     occupation
      1      -5.3701      1.00000
      2       2.6719      1.00000
      3       3.8267      1.00000
      4       5.5378      1.00000
      5       9.0507      0.00000
      6       9.3038      0.00000
      7       9.5711      0.00000
      8      11.6294      0.00000
      9      12.0956      0.00000

 k-point    92 :       0.1406    0.1406    0.2812
  band No.  band energies     occupation
      1      -5.4478      1.00000
      2       2.8683      1.00000
      3       3.9788      1.00000
      4       5.5897      1.00000
      5       9.0520      0.00000
      6       9.2219      0.00000
      7       9.4797      0.00000
      8      11.6219      0.00000
      9      12.1435      0.00000

 k-point    93 :       0.1328    0.1328    0.2656
  band No.  band energies     occupation
      1      -5.5216      1.00000
      2       3.0675      1.00000
      3       4.1317      1.00000
      4       5.6379      1.00000
      5       9.0467      0.00000
      6       9.1442      0.00000
      7       9.3910      0.00000
      8      11.6025      0.00000
      9      12.1975      0.00000

 k-point    94 :       0.1250    0.1250    0.2500
  band No.  band energies     occupation
      1      -5.5915      1.00000
      2       3.2693      1.00000
      3       4.2847      1.00000
      4       5.6824      1.00000
      5       9.0364      0.00000
      6       9.0711      0.00000
      7       9.3065      0.00000
      8      11.5648      0.00000
      9      12.2644      0.00000

 k-point    95 :       0.1172    0.1172    0.2344
  band No.  band energies     occupation
      1      -5.6574      1.00000
      2       3.4735      1.00000
      3       4.4374      1.00000
      4       5.7233      1.00000
      5       9.0023      0.00000
      6       9.0217      0.00000
      7       9.2254      0.00000
      8      11.5022      0.00000
      9      12.3413      0.00000

 k-point    96 :       0.1094    0.1094    0.2188
  band No.  band energies     occupation
      1      -5.7192      1.00000
      2       3.6810      1.00000
      3       4.5896      1.00000
      4       5.7609      1.00000
      5       8.9386      0.00000
      6       9.0037      0.00000
      7       9.1489      0.00000
      8      11.4112      0.00000
      9      12.4370      0.00000

 k-point    97 :       0.1016    0.1016    0.2031
  band No.  band energies     occupation
      1      -5.7769      1.00000
      2       3.8887      1.00000
      3       4.7393      1.00000
      4       5.7946      1.00000
      5       8.8786      0.00000
      6       8.9820      0.00000
      7       9.0745      0.00000
      8      11.2883      0.00000
      9      12.5291      0.00000

 k-point    98 :       0.0938    0.0938    0.1875
  band No.  band energies     occupation
      1      -5.8306      1.00000
      2       4.0973      1.00000
      3       4.8864      1.00000
      4       5.8249      1.00000
      5       8.8231      0.00000
      6       8.9577      0.00000
      7       9.0034      0.00000
      8      11.1374      0.00000
      9      12.6462      0.00000

 k-point    99 :       0.0859    0.0859    0.1719
  band No.  band energies     occupation
      1      -5.8800      1.00000
      2       4.3063      1.00000
      3       5.0298      1.00000
      4       5.8520      1.00000
      5       8.7719      0.00000
      6       8.9315      0.00000
      7       8.9357      0.00000
      8      10.9642      0.00000
      9      12.7421      0.00000

 k-point   100 :       0.0781    0.0781    0.1562
  band No.  band energies     occupation
      1      -5.9253      1.00000
      2       4.5144      1.00000
      3       5.1686      1.00000
      4       5.8764      1.00000
      5       8.7253      0.00000
      6       8.8715      0.00000
      7       8.9023      0.00000
      8      10.7758      0.00000
      9      12.9112      0.00000

 k-point   101 :       0.0703    0.0703    0.1406
  band No.  band energies     occupation
      1      -5.9663      1.00000
      2       4.7206      1.00000
      3       5.3015      1.00000
      4       5.8974      1.00000
      5       8.6830      0.00000
      6       8.8107      0.00000
      7       8.8704      0.00000
      8      10.5798      0.00000
      9      13.0349      0.00000

 k-point   102 :       0.0625    0.0625    0.1250
  band No.  band energies     occupation
      1      -6.0030      1.00000
      2       4.9236      1.00000
      3       5.4279      1.00000
      4       5.9156      1.00000
      5       8.6452      0.00000
      6       8.7537      0.00000
      7       8.8358      0.00000
      8      10.3832      0.00000
      9      13.1006      0.00000

 k-point   103 :       0.0547    0.0547    0.1094
  band No.  band energies     occupation
      1      -6.0355      1.00000
      2       5.1207      1.00000
      3       5.5449      1.00000
      4       5.9312      1.00000
      5       8.6118      0.00000
      6       8.7009      0.00000
      7       8.7969      0.00000
      8      10.1929      0.00000
      9      13.2313      0.00000

 k-point   104 :       0.0469    0.0469    0.0938
  band No.  band energies     occupation
      1      -6.0637      1.00000
      2       5.3095      1.00000
      3       5.6516      1.00000
      4       5.9443      1.00000
      5       8.5829      0.00000
      6       8.6528      0.00000
      7       8.7533      0.00000
      8      10.0155      0.00000
      9      13.3372      0.00000

 k-point   105 :       0.0391    0.0391    0.0781
  band No.  band energies     occupation
      1      -6.0876      1.00000
      2       5.4863      1.00000
      3       5.7462      1.00000
      4       5.9551      1.00000
      5       8.5584      0.00000
      6       8.6099      0.00000
      7       8.7044      0.00000
      8       9.8573      0.00000
      9      13.4519      0.00000

 k-point   106 :       0.0312    0.0312    0.0625
  band No.  band energies     occupation
      1      -6.1072      1.00000
      2       5.6461      1.00000
      3       5.8270      1.00000
      4       5.9638      1.00000
      5       8.5383      0.00000
      6       8.5731      0.00000
      7       8.6513      0.00000
      8       9.7241      0.00000
      9      13.5571      0.00000

 k-point   107 :       0.0234    0.0234    0.0469
  band No.  band energies     occupation
      1      -6.1224      1.00000
      2       5.7828      1.00000
      3       5.8922      1.00000
      4       5.9704      1.00000
      5       8.5228      0.00000
      6       8.5432      0.00000
      7       8.5974      0.00000
      8       9.6197      0.00000
      9      13.6982      0.00000

 k-point   108 :       0.0156    0.0156    0.0312
  band No.  band energies     occupation
      1      -6.1333      1.00000
      2       5.8888      1.00000
      3       5.9401      1.00000
      4       5.9751      1.00000
      5       8.5116      0.00000
      6       8.5211      0.00000
      7       8.5491      0.00000
      8       9.5459      0.00000
      9      13.6958      0.00000

 k-point   109 :       0.0078    0.0078    0.0156
  band No.  band energies     occupation
      1      -6.1399      1.00000
      2       5.9555      1.00000
      3       5.9689      1.00000
      4       5.9779      1.00000
      5       8.5049      0.00000
      6       8.5073      0.00000
      7       8.5150      0.00000
      8       9.5022      0.00000
      9      13.7514      0.00000

 k-point   110 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation
      1      -6.1421      1.00000
      2       5.9788      1.00000
      3       5.9788      1.00000
      4       5.9788      1.00000
      5       8.5027      0.00000
      6       8.5027      0.00000
      7       8.5027      0.00000
      8       9.4878      0.00000
      9      13.7417      0.00000

 k-point   111 :       0.0128    0.0128    0.0128
  band No.  band energies     occupation
      1      -6.1399      1.00000
      2       5.9522      1.00000
      3       5.9749      1.00000
      4       5.9749      1.00000
      5       8.5084      0.00000
      6       8.5084      0.00000
      7       8.5105      0.00000
      8       9.5024      0.00000
      9      13.7300      0.00000

 k-point   112 :       0.0256    0.0256    0.0256
  band No.  band energies     occupation
      1      -6.1332      1.00000
      2       5.8759      1.00000
      3       5.9632      1.00000
      4       5.9632      1.00000
      5       8.5254      0.00000
      6       8.5254      0.00000
      7       8.5306      0.00000
      8       9.5470      0.00000
      9      13.7031      0.00000

 k-point   113 :       0.0385    0.0385    0.0385
  band No.  band energies     occupation
      1      -6.1223      1.00000
      2       5.7552      1.00000
      3       5.9442      1.00000
      4       5.9442      1.00000
      5       8.5531      0.00000
      6       8.5531      0.00000
      7       8.5542      0.00000
      8       9.6234      0.00000
      9      13.6646      0.00000

 k-point   114 :       0.0513    0.0513    0.0513
  band No.  band energies     occupation
      1      -6.1069      1.00000
      2       5.5995      1.00000
      3       5.9184      1.00000
      4       5.9184      1.00000
      5       8.5725      0.00000
      6       8.5908      0.00000
      7       8.5908      0.00000
      8       9.7324      0.00000
      9      13.6119      0.00000

 k-point   115 :       0.0641    0.0641    0.0641
  band No.  band energies     occupation
      1      -6.0871      1.00000
      2       5.4173      1.00000
      3       5.8876      1.00000
      4       5.8876      1.00000
      5       8.5802      0.00000
      6       8.6377      0.00000
      7       8.6377      0.00000
      8       9.8719      0.00000
      9      13.5487      0.00000

 k-point   116 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation
      1      -6.0630      1.00000
      2       5.2149      1.00000
      3       5.8506      1.00000
      4       5.8506      1.00000
      5       8.5754      0.00000
      6       8.6920      0.00000
      7       8.6920      0.00000
      8      10.0371      0.00000
      9      13.4808      0.00000

 k-point   117 :       0.0897    0.0897    0.0897
  band No.  band energies     occupation
      1      -6.0345      1.00000
      2       4.9979      1.00000
      3       5.8093      1.00000
      4       5.8093      1.00000
      5       8.5591      0.00000
      6       8.7526      0.00000
      7       8.7526      0.00000
      8      10.2224      0.00000
      9      13.4080      0.00000

 k-point   118 :       0.1026    0.1026    0.1026
  band No.  band energies     occupation
      1      -6.0017      1.00000
      2       4.7705      1.00000
      3       5.7646      1.00000
      4       5.7646      1.00000
      5       8.5333      0.00000
      6       8.8181      0.00000
      7       8.8181      0.00000
      8      10.4228      0.00000
      9      13.3360      0.00000

 k-point   119 :       0.1154    0.1154    0.1154
  band No.  band energies     occupation
      1      -5.9646      1.00000
      2       4.5356      1.00000
      3       5.7173      1.00000
      4       5.7173      1.00000
      5       8.4998      0.00000
      6       8.8871      0.00000
      7       8.8871      0.00000
      8      10.6338      0.00000
      9      13.2655      0.00000

 k-point   120 :       0.1282    0.1282    0.1282
  band No.  band energies     occupation
      1      -5.9233      1.00000
      2       4.2942      1.00000
      3       5.6679      1.00000
      4       5.6679      1.00000
      5       8.4601      0.00000
      6       8.9578      0.00000
      7       8.9578      0.00000
      8      10.8522      0.00000
      9      13.1991      0.00000

 k-point   121 :       0.1410    0.1410    0.1410
  band No.  band energies     occupation
      1      -5.8777      1.00000
      2       4.0509      1.00000
      3       5.6174      1.00000
      4       5.6174      1.00000
      5       8.4166      0.00000
      6       9.0291      0.00000
      7       9.0291      0.00000
      8      11.0753      0.00000
      9      13.1397      0.00000

 k-point   122 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation
      1      -5.8280      1.00000
      2       3.8056      1.00000
      3       5.5652      1.00000
      4       5.5652      1.00000
      5       8.3700      0.00000
      6       9.0990      0.00000
      7       9.0990      0.00000
      8      11.3012      0.00000
      9      13.0870      0.00000

 k-point   123 :       0.1667    0.1667    0.1667
  band No.  band energies     occupation
      1      -5.7740      1.00000
      2       3.5594      1.00000
      3       5.5138      1.00000
      4       5.5138      1.00000
      5       8.3212      0.00000
      6       9.1665      0.00000
      7       9.1665      0.00000
      8      11.5285      0.00000
      9      13.0480      0.00000

 k-point   124 :       0.1795    0.1795    0.1795
  band No.  band energies     occupation
      1      -5.7160      1.00000
      2       3.3131      1.00000
      3       5.4626      1.00000
      4       5.4626      1.00000
      5       8.2712      0.00000
      6       9.2299      0.00000
      7       9.2299      0.00000
      8      11.7559      0.00000
      9      13.0212      0.00000

 k-point   125 :       0.1923    0.1923    0.1923
  band No.  band energies     occupation
      1      -5.6539      1.00000
      2       3.0670      1.00000
      3       5.4114      1.00000
      4       5.4114      1.00000
      5       8.2200      0.00000
      6       9.2869      0.00000
      7       9.2869      0.00000
      8      11.9823      0.00000
      9      12.9988      0.00000

 k-point   126 :       0.2051    0.2051    0.2051
  band No.  band energies     occupation
      1      -5.5878      1.00000
      2       2.8228      1.00000
      3       5.3616      1.00000
      4       5.3616      1.00000
      5       8.1693      0.00000
      6       9.3382      0.00000
      7       9.3382      0.00000
      8      12.2074      0.00000
      9      13.0021      0.00000

 k-point   127 :       0.2179    0.2179    0.2179
  band No.  band energies     occupation
      1      -5.5179      1.00000
      2       2.5805      1.00000
      3       5.3130      1.00000
      4       5.3130      1.00000
      5       8.1197      0.00000
      6       9.3820      0.00000
      7       9.3820      0.00000
      8      12.4302      0.00000
      9      13.0250      0.00000

 k-point   128 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation
      1      -5.4441      1.00000
      2       2.3404      1.00000
      3       5.2657      1.00000
      4       5.2657      1.00000
      5       8.0701      0.00000
      6       9.4176      0.00000
      7       9.4176      0.00000
      8      12.6486      0.00000
      9      13.0622      0.00000

 k-point   129 :       0.2436    0.2436    0.2436
  band No.  band energies     occupation
      1      -5.3666      1.00000
      2       2.1032      1.00000
      3       5.2200      1.00000
      4       5.2200      1.00000
      5       8.0236      0.00000
      6       9.4448      0.00000
      7       9.4448      0.00000
      8      12.8720      0.00000
      9      13.1174      0.00000

 k-point   130 :       0.2564    0.2564    0.2564
  band No.  band energies     occupation
      1      -5.2856      1.00000
      2       1.8690      1.00000
      3       5.1760      1.00000
      4       5.1760      1.00000
      5       7.9764      0.00000
      6       9.4636      0.00000
      7       9.4636      0.00000
      8      13.0729      0.00000
      9      13.1902      0.00000

 k-point   131 :       0.2692    0.2692    0.2692
  band No.  band energies     occupation
      1      -5.2012      1.00000
      2       1.6383      1.00000
      3       5.1339      1.00000
      4       5.1339      1.00000
      5       7.9308      0.00000
      6       9.4745      0.00000
      7       9.4745      0.00000
      8      13.2539      0.00000
      9      13.2805      0.00000

 k-point   132 :       0.2821    0.2821    0.2821
  band No.  band energies     occupation
      1      -5.1136      1.00000
      2       1.4114      1.00000
      3       5.0936      1.00000
      4       5.0936      1.00000
      5       7.8866      0.00000
      6       9.4769      0.00000
      7       9.4769      0.00000
      8      13.3858      0.00000
      9      13.4020      0.00000

 k-point   133 :       0.2949    0.2949    0.2949
  band No.  band energies     occupation
      1      -5.0230      1.00000
      2       1.1889      1.00000
      3       5.0555      1.00000
      4       5.0555      1.00000
      5       7.8447      0.00000
      6       9.4740      0.00000
      7       9.4740      0.00000
      8      13.5089      0.00000
      9      13.5415      0.00000

 k-point   134 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation
      1      -4.9296      1.00000
      2       0.9711      1.00000
      3       5.0194      1.00000
      4       5.0194      1.00000
      5       7.8050      0.00000
      6       9.4657      0.00000
      7       9.4657      0.00000
      8      13.6470      0.00000
      9      13.6542      0.00000

 k-point   135 :       0.3205    0.3205    0.3205
  band No.  band energies     occupation
      1      -4.8339      1.00000
      2       0.7584      1.00000
      3       4.9855      1.00000
      4       4.9855      1.00000
      5       7.7674      0.00000
      6       9.4530      0.00000
      7       9.4530      0.00000
      8      13.7173      0.00000
      9      13.7992      0.00000

 k-point   136 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation
      1      -4.7362      1.00000
      2       0.5501      1.00000
      3       4.9537      1.00000
      4       4.9537      1.00000
      5       7.7321      0.00000
      6       9.4370      0.00000
      7       9.4370      0.00000
      8      13.7576      0.00000
      9      13.9633      0.00000

 k-point   137 :       0.3462    0.3462    0.3462
  band No.  band energies     occupation
      1      -4.6368      1.00000
      2       0.3493      1.00000
      3       4.9243      1.00000
      4       4.9243      1.00000
      5       7.6992      0.00000
      6       9.4201      0.00000
      7       9.4201      0.00000
      8      13.7407      0.00000
      9      14.1463      0.00000

 k-point   138 :       0.3590    0.3590    0.3590
  band No.  band energies     occupation
      1      -4.5365      1.00000
      2       0.1553      1.00000
      3       4.8972      1.00000
      4       4.8972      1.00000
      5       7.6688      0.00000
      6       9.4002      0.00000
      7       9.4002      0.00000
      8      13.7254      0.00000
      9      14.3333      0.00000

 k-point   139 :       0.3718    0.3718    0.3718
  band No.  band energies     occupation
      1      -4.4359      1.00000
      2      -0.0310      1.00000
      3       4.8723      1.00000
      4       4.8723      1.00000
      5       7.6409      0.00000
      6       9.3797      0.00000
      7       9.3797      0.00000
      8      13.7013      0.00000
      9      14.5307      0.00000

 k-point   140 :       0.3846    0.3846    0.3846
  band No.  band energies     occupation
      1      -4.3359      1.00000
      2      -0.2087      1.00000
      3       4.8499      1.00000
      4       4.8499      1.00000
      5       7.6156      0.00000
      6       9.3592      0.00000
      7       9.3592      0.00000
      8      13.6731      0.00000
      9      14.7373      0.00000

 k-point   141 :       0.3974    0.3974    0.3974
  band No.  band energies     occupation
      1      -4.2377      1.00000
      2      -0.3766      1.00000
      3       4.8297      1.00000
      4       4.8297      1.00000
      5       7.5928      0.00000
      6       9.3394      0.00000
      7       9.3394      0.00000
      8      13.6438      0.00000
      9      14.9519      0.00000

 k-point   142 :       0.4103    0.4103    0.4103
  band No.  band energies     occupation
      1      -4.1427      1.00000
      2      -0.5332      1.00000
      3       4.8119      1.00000
      4       4.8119      1.00000
      5       7.5727      0.00000
      6       9.3208      0.00000
      7       9.3208      0.00000
      8      13.6153      0.00000
      9      15.1750      0.00000

 k-point   143 :       0.4231    0.4231    0.4231
  band No.  band energies     occupation
      1      -4.0526      1.00000
      2      -0.6769      1.00000
      3       4.7965      1.00000
      4       4.7965      1.00000
      5       7.5552      0.00000
      6       9.3038      0.00000
      7       9.3038      0.00000
      8      13.5889      0.00000
      9      15.4028      0.00000

 k-point   144 :       0.4359    0.4359    0.4359
  band No.  band energies     occupation
      1      -3.9694      1.00000
      2      -0.8054      1.00000
      3       4.7834      1.00000
      4       4.7834      1.00000
      5       7.5388      0.00000
      6       9.2889      0.00000
      7       9.2889      0.00000
      8      13.5653      0.00000
      9      15.6359      0.00000

 k-point   145 :       0.4487    0.4487    0.4487
  band No.  band energies     occupation
      1      -3.8956      1.00000
      2      -0.9163      1.00000
      3       4.7727      1.00000
      4       4.7727      1.00000
      5       7.5266      0.00000
      6       9.2763      0.00000
      7       9.2763      0.00000
      8      13.5455      0.00000
      9      15.8822      0.00000

 k-point   146 :       0.4615    0.4615    0.4615
  band No.  band energies     occupation
      1      -3.8340      1.00000
      2      -1.0068      1.00000
      3       4.7644      1.00000
      4       4.7644      1.00000
      5       7.5171      0.00000
      6       9.2662      0.00000
      7       9.2662      0.00000
      8      13.5297      0.00000
      9      16.1104      0.00000

 k-point   147 :       0.4744    0.4744    0.4744
  band No.  band energies     occupation
      1      -3.7873      1.00000
      2      -1.0741      1.00000
      3       4.7584      1.00000
      4       4.7584      1.00000
      5       7.5103      0.00000
      6       9.2589      0.00000
      7       9.2589      0.00000
      8      13.5182      0.00000
      9      16.3418      0.00000

 k-point   148 :       0.4872    0.4872    0.4872
  band No.  band energies     occupation
      1      -3.7576      1.00000
      2      -1.1155      1.00000
      3       4.7555      1.00000
      4       4.7555      1.00000
      5       7.5065      0.00000
      6       9.2552      0.00000
      7       9.2552      0.00000
      8      13.5116      0.00000
      9      16.5486      0.00000

 k-point   149 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation
      1      -3.7477      1.00000
      2      -1.1296      1.00000
      3       4.7543      1.00000
      4       4.7543      1.00000
      5       7.5052      0.00000
      6       9.2537      0.00000
      7       9.2537      0.00000
      8      13.5093      0.00000
      9      16.6385      0.00000

 k-point   150 :       0.5000    0.4919    0.5081
  band No.  band energies     occupation
      1      -3.7454      1.00000
      2      -1.1283      1.00000
      3       4.7316      1.00000
      4       4.7498      1.00000
      5       7.5261      0.00000
      6       9.2491      0.00000
      7       9.2629      0.00000
      8      13.5212      0.00000
      9      16.5477      0.00000

 k-point   151 :       0.5000    0.4839    0.5161
  band No.  band energies     occupation
      1      -3.7386      1.00000
      2      -1.1244      1.00000
      3       4.6653      1.00000
      4       4.7361      1.00000
      5       7.5859      0.00000
      6       9.2352      0.00000
      7       9.2908      0.00000
      8      13.5561      0.00000
      9      16.3773      0.00000

 k-point   152 :       0.5000    0.4758    0.5242
  band No.  band energies     occupation
      1      -3.7272      1.00000
      2      -1.1178      1.00000
      3       4.5626      1.00000
      4       4.7137      1.00000
      5       7.6774      0.00000
      6       9.2139      0.00000
      7       9.3389      0.00000
      8      13.6118      0.00000
      9      16.2630      0.00000

 k-point   153 :       0.5000    0.4677    0.5323
  band No.  band energies     occupation
      1      -3.7110      1.00000
      2      -1.1088      1.00000
      3       4.4310      1.00000
      4       4.6824      1.00000
      5       7.7911      0.00000
      6       9.1867      0.00000
      7       9.4088      0.00000
      8      13.6849      0.00000
      9      15.9434      0.00000

 k-point   154 :       0.5000    0.4597    0.5403
  band No.  band energies     occupation
      1      -3.6903      1.00000
      2      -1.0974      1.00000
      3       4.2778      1.00000
      4       4.6418      1.00000
      5       7.9170      0.00000
      6       9.1552      0.00000
      7       9.5024      0.00000
      8      13.7692      0.00000
      9      15.5669      0.00000

 k-point   155 :       0.5000    0.4516    0.5484
  band No.  band energies     occupation
      1      -3.6650      1.00000
      2      -1.0837      1.00000
      3       4.1098      1.00000
      4       4.5928      1.00000
      5       8.0468      0.00000
      6       9.1218      0.00000
      7       9.6225      0.00000
      8      13.8579      0.00000
      9      15.3140      0.00000

 k-point   156 :       0.5000    0.4435    0.5565
  band No.  band energies     occupation
      1      -3.6350      1.00000
      2      -1.0680      1.00000
      3       3.9321      1.00000
      4       4.5351      1.00000
      5       8.1742      0.00000
      6       9.0899      0.00000
      7       9.7712      0.00000
      8      13.9408      0.00000
      9      15.0702      0.00000

 k-point   157 :       0.5000    0.4355    0.5645
  band No.  band energies     occupation
      1      -3.6005      1.00000
      2      -1.0507      1.00000
      3       3.7481      1.00000
      4       4.4688      1.00000
      5       8.2949      0.00000
      6       9.0582      0.00000
      7       9.9445      0.00000
      8      14.0048      0.00000
      9      14.8156      0.00000

 k-point   158 :       0.5000    0.4274    0.5726
  band No.  band energies     occupation
      1      -3.5615      1.00000
      2      -1.0319      1.00000
      3       3.5621      1.00000
      4       4.3946      1.00000
      5       8.4076      0.00000
      6       9.0305      0.00000
      7      10.1461      0.00000
      8      14.0370      0.00000
      9      14.5729      0.00000

 k-point   159 :       0.5000    0.4194    0.5806
  band No.  band energies     occupation
      1      -3.5181      1.00000
      2      -1.0121      1.00000
      3       3.3758      1.00000
      4       4.3126      1.00000
      5       8.5123      0.00000
      6       9.0078      0.00000
      7      10.3709      0.00000
      8      14.0267      0.00000
      9      14.3292      0.00000

 k-point   160 :       0.5000    0.4113    0.5887
  band No.  band energies     occupation
      1      -3.4701      1.00000
      2      -0.9919      1.00000
      3       3.1916      1.00000
      4       4.2233      1.00000
      5       8.6109      0.00000
      6       8.9915      0.00000
      7      10.6169      0.00000
      8      13.9731      0.00000
      9      14.0939      0.00000

 k-point   161 :       0.5000    0.4032    0.5968
  band No.  band energies     occupation
      1      -3.4178      1.00000
      2      -0.9717      1.00000
      3       3.0112      1.00000
      4       4.1274      1.00000
      5       8.7048      0.00000
      6       8.9822      0.00000
      7      10.8805      0.00000
      8      13.8602      0.00000
      9      13.8812      0.00000

 k-point   162 :       0.5000    0.3952    0.6048
  band No.  band energies     occupation
      1      -3.3611      1.00000
      2      -0.9525      1.00000
      3       2.8359      1.00000
      4       4.0251      1.00000
      5       8.7952      0.00000
      6       8.9789      0.00000
      7      11.1588      0.00000
      8      13.6328      0.00000
      9      13.7606      0.00000

 k-point   163 :       0.5000    0.3871    0.6129
  band No.  band energies     occupation
      1      -3.3002      1.00000
      2      -0.9348      1.00000
      3       2.6677      1.00000
      4       3.9173      1.00000
      5       8.8846      0.00000
      6       8.9854      0.00000
      7      11.4492      0.00000
      8      13.4094      0.00000
      9      13.6201      0.00000

 k-point   164 :       0.5000    0.3790    0.6210
  band No.  band energies     occupation
      1      -3.2349      1.00000
      2      -0.9196      1.00000
      3       2.5083      1.00000
      4       3.8054      1.00000
      5       8.9739      0.00000
      6       9.0011      0.00000
      7      11.7523      0.00000
      8      13.1931      0.00000
      9      13.4663      0.00000

 k-point   165 :       0.5000    0.3710    0.6290
  band No.  band energies     occupation
      1      -3.1656      1.00000
      2      -0.9083      1.00000
      3       2.3588      1.00000
      4       3.6895      1.00000
      5       9.0241      0.00000
      6       9.0636      0.00000
      7      12.0617      0.00000
      8      12.9802      0.00000
      9      13.3039      0.00000

 k-point   166 :       0.5000    0.3629    0.6371
  band No.  band energies     occupation
      1      -3.0922      1.00000
      2      -0.9020      1.00000
      3       2.2209      1.00000
      4       3.5704      1.00000
      5       9.0554      0.00000
      6       9.1547      0.00000
      7      12.3774      0.00000
      8      12.7731      0.00000
      9      13.1365      0.00000

 k-point   167 :       0.5000    0.3548    0.6452
  band No.  band energies     occupation
      1      -3.0148      1.00000
      2      -0.9021      1.00000
      3       2.0962      1.00000
      4       3.4490      1.00000
      5       9.0947      0.00000
      6       9.2476      0.00000
      7      12.5586      0.00000
      8      12.7079      0.00000
      9      12.9659      0.00000

 k-point   168 :       0.5000    0.3468    0.6532
  band No.  band energies     occupation
      1      -2.9335      1.00000
      2      -0.9099      1.00000
      3       1.9866      1.00000
      4       3.3261      1.00000
      5       9.1423      0.00000
      6       9.3426      0.00000
      7      12.3658      0.00000
      8      12.7949      0.00000
      9      13.0312      0.00000

 k-point   169 :       0.5000    0.3387    0.6613
  band No.  band energies     occupation
      1      -2.8486      1.00000
      2      -0.9269      1.00000
      3       1.8931      1.00000
      4       3.2017      1.00000
      5       9.1967      0.00000
      6       9.4381      0.00000
      7      12.1728      0.00000
      8      12.6226      0.00000
      9      13.3607      0.00000

 k-point   170 :       0.5000    0.3306    0.6694
  band No.  band energies     occupation
      1      -2.7601      1.00000
      2      -0.9541      1.00000
      3       1.8171      1.00000
      4       3.0778      1.00000
      5       9.2589      0.00000
      6       9.5375      0.00000
      7      11.9868      0.00000
      8      12.4524      0.00000
      9      13.6914      0.00000

 k-point   171 :       0.5000    0.3226    0.6774
  band No.  band energies     occupation
      1      -2.6683      1.00000
      2      -0.9920      1.00000
      3       1.7596      1.00000
      4       2.9545      1.00000
      5       9.3299      0.00000
      6       9.6393      0.00000
      7      11.8073      0.00000
      8      12.2841      0.00000
      9      14.0295      0.00000

 k-point   172 :       0.5000    0.3145    0.6855
  band No.  band energies     occupation
      1      -2.5732      1.00000
      2      -1.0411      1.00000
      3       1.7208      1.00000
      4       2.8325      1.00000
      5       9.4062      0.00000
      6       9.7435      0.00000
      7      11.6345      0.00000
      8      12.1182      0.00000
      9      14.3650      0.00000

 k-point   173 :       0.5000    0.3065    0.6935
  band No.  band energies     occupation
      1      -2.4753      1.00000
      2      -1.1013      1.00000
      3       1.7004      1.00000
      4       2.7123      1.00000
      5       9.4881      0.00000
      6       9.8480      0.00000
      7      11.4685      0.00000
      8      11.9552      0.00000
      9      14.6942      0.00000

 k-point   174 :       0.5000    0.2984    0.7016
  band No.  band energies     occupation
      1      -2.3747      1.00000
      2      -1.1716      1.00000
      3       1.6980      1.00000
      4       2.5949      1.00000
      5       9.5766      0.00000
      6       9.9521      0.00000
      7      11.3128      0.00000
      8      11.7959      0.00000
      9      15.0221      0.00000

 k-point   175 :       0.5000    0.2903    0.7097
  band No.  band energies     occupation
      1      -2.2718      1.00000
      2      -1.2512      1.00000
      3       1.7124      1.00000
      4       2.4807      1.00000
      5       9.6704      0.00000
      6      10.0529      0.00000
      7      11.1695      0.00000
      8      11.6408      0.00000
      9      15.3377      0.00000

 k-point   176 :       0.5000    0.2823    0.7177
  band No.  band energies     occupation
      1      -2.1669      1.00000
      2      -1.3386      1.00000
      3       1.7423      1.00000
      4       2.3704      1.00000
      5       9.7685      0.00000
      6      10.1446      0.00000
      7      11.0443      0.00000
      8      11.4907      0.00000
      9      15.6432      0.00000

 k-point   177 :       0.5000    0.2742    0.7258
  band No.  band energies     occupation
      1      -2.0605      1.00000
      2      -1.4325      1.00000
      3       1.7862      1.00000
      4       2.2653      1.00000
      5       9.8712      0.00000
      6      10.2168      0.00000
      7      10.9492      0.00000
      8      11.3476      0.00000
      9      15.9587      0.00000

 k-point   178 :       0.5000    0.2661    0.7339
  band No.  band energies     occupation
      1      -1.9534      1.00000
      2      -1.5314      1.00000
      3       1.8425      1.00000
      4       2.1657      1.00000
      5       9.9738      0.00000
      6      10.2496      0.00000
      7      10.9016      0.00000
      8      11.2123      0.00000
      9      16.2317      0.00000

 k-point   179 :       0.5000    0.2581    0.7419
  band No.  band energies     occupation
      1      -1.8461      1.00000
      2      -1.6341      1.00000
      3       1.9098      1.00000
      4       2.0725      1.00000
      5      10.0739      0.00000
      6      10.2290      0.00000
      7      10.9166      0.00000
      8      11.0892      0.00000
      9      16.4481      0.00000

 k-point   180 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation
      1      -1.7394      1.00000
      2      -1.7394      1.00000
      3       1.9869      1.00000
      4       1.9869      1.00000
      5      10.1637      0.00000
      6      10.1638      0.00000
      7      10.9859      0.00000
      8      10.9859      0.00000
      9      16.6583      0.00000

 k-point   181 :       0.5000    0.2386    0.7386
  band No.  band energies     occupation
      1      -1.7404      1.00000
      2      -1.7404      1.00000
      3       1.9912      1.00000
      4       1.9912      1.00000
      5      10.0809      0.00000
      6      10.0810      0.00000
      7      11.0732      0.00000
      8      11.0732      0.00000
      9      16.6581      0.00000

 k-point   182 :       0.5000    0.2273    0.7273
  band No.  band energies     occupation
      1      -1.7434      1.00000
      2      -1.7434      1.00000
      3       2.0040      1.00000
      4       2.0040      1.00000
      5       9.8930      0.00000
      6       9.8930      0.00000
      7      11.2746      0.00000
      8      11.2746      0.00000
      9      16.6576      0.00000

 k-point   183 :       0.5000    0.2159    0.7159
  band No.  band energies     occupation
      1      -1.7483      1.00000
      2      -1.7483      1.00000
      3       2.0252      1.00000
      4       2.0252      1.00000
      5       9.6670      0.00000
      6       9.6670      0.00000
      7      11.5231      0.00000
      8      11.5231      0.00000
      9      16.6568      0.00000

 k-point   184 :       0.5000    0.2045    0.7045
  band No.  band energies     occupation
      1      -1.7550      1.00000
      2      -1.7550      1.00000
      3       2.0545      1.00000
      4       2.0545      1.00000
      5       9.4286      0.00000
      6       9.4287      0.00000
      7      11.7921      0.00000
      8      11.7921      0.00000
      9      16.6540      0.00000

 k-point   185 :       0.5000    0.1932    0.6932
  band No.  band energies     occupation
      1      -1.7631      1.00000
      2      -1.7631      1.00000
      3       2.0920      1.00000
      4       2.0920      1.00000
      5       9.1896      0.00000
      6       9.1896      0.00000
      7      12.0757      0.00000
      8      12.0758      0.00000
      9      16.6528      0.00000

 k-point   186 :       0.5000    0.1818    0.6818
  band No.  band energies     occupation
      1      -1.7730      1.00000
      2      -1.7730      1.00000
      3       2.1363      1.00000
      4       2.1363      1.00000
      5       8.9506      0.00000
      6       8.9506      0.00000
      7      12.3631      0.00000
      8      12.3631      0.00000
      9      16.6514      0.00000

 k-point   187 :       0.5000    0.1705    0.6705
  band No.  band energies     occupation
      1      -1.7838      1.00000
      2      -1.7838      1.00000
      3       2.1876      1.00000
      4       2.1876      1.00000
      5       8.7159      0.00000
      6       8.7159      0.00000
      7      12.6566      0.00000
      8      12.6567      0.00000
      9      16.6501      0.00000

 k-point   188 :       0.5000    0.1591    0.6591
  band No.  band energies     occupation
      1      -1.7955      1.00000
      2      -1.7955      1.00000
      3       2.2451      1.00000
      4       2.2451      1.00000
      5       8.4866      0.00000
      6       8.4867      0.00000
      7      12.9540      0.00000
      8      12.9540      0.00000
      9      16.6489      0.00000

 k-point   189 :       0.5000    0.1477    0.6477
  band No.  band energies     occupation
      1      -1.8079      1.00000
      2      -1.8079      1.00000
      3       2.3081      1.00000
      4       2.3081      1.00000
      5       8.2639      0.00000
      6       8.2639      0.00000
      7      13.2541      0.00000
      8      13.2541      0.00000
      9      16.6481      0.00000

 k-point   190 :       0.5000    0.1364    0.6364
  band No.  band energies     occupation
      1      -1.8206      1.00000
      2      -1.8206      1.00000
      3       2.3757      1.00000
      4       2.3757      1.00000
      5       8.0487      0.00000
      6       8.0487      0.00000
      7      13.5547      0.00000
      8      13.5547      0.00000
      9      16.6476      0.00000

 k-point   191 :       0.5000    0.1250    0.6250
  band No.  band energies     occupation
      1      -1.8333      1.00000
      2      -1.8333      1.00000
      3       2.4470      1.00000
      4       2.4470      1.00000
      5       7.8424      0.00000
      6       7.8424      0.00000
      7      13.8583      0.00000
      8      13.8584      0.00000
      9      16.6548      0.00000

 k-point   192 :       0.5000    0.1136    0.6136
  band No.  band energies     occupation
      1      -1.8458      1.00000
      2      -1.8458      1.00000
      3       2.5209      1.00000
      4       2.5209      1.00000
      5       7.6453      0.00000
      6       7.6453      0.00000
      7      14.1605      0.00000
      8      14.1608      0.00000
      9      16.6568      0.00000

 k-point   193 :       0.5000    0.1023    0.6023
  band No.  band energies     occupation
      1      -1.8579      1.00000
      2      -1.8579      1.00000
      3       2.5961      1.00000
      4       2.5961      1.00000
      5       7.4590      0.00000
      6       7.4590      0.00000
      7      14.4606      0.00000
      8      14.4606      0.00000
      9      16.6610      0.00000

 k-point   194 :       0.5000    0.0909    0.5909
  band No.  band energies     occupation
      1      -1.8694      1.00000
      2      -1.8694      1.00000
      3       2.6712      1.00000
      4       2.6712      1.00000
      5       7.2848      0.00000
      6       7.2848      0.00000
      7      14.7564      0.00000
      8      14.7565      0.00000
      9      16.6683      0.00000

 k-point   195 :       0.5000    0.0795    0.5795
  band No.  band energies     occupation
      1      -1.8800      1.00000
      2      -1.8800      1.00000
      3       2.7447      1.00000
      4       2.7447      1.00000
      5       7.1241      0.00000
      6       7.1242      0.00000
      7      15.0448      0.00000
      8      15.0448      0.00000
      9      16.6808      0.00000

 k-point   196 :       0.5000    0.0682    0.5682
  band No.  band energies     occupation
      1      -1.8894      1.00000
      2      -1.8894      1.00000
      3       2.8154      1.00000
      4       2.8154      1.00000
      5       6.9803      0.00000
      6       6.9804      0.00000
      7      15.3241      0.00000
      8      15.3244      0.00000
      9      16.7092      0.00000

 k-point   197 :       0.5000    0.0568    0.5568
  band No.  band energies     occupation
      1      -1.8977      1.00000
      2      -1.8977      1.00000
      3       2.8800      1.00000
      4       2.8800      1.00000
      5       6.8522      0.00000
      6       6.8522      0.00000
      7      15.5795      0.00000
      8      15.5833      0.00000
      9      16.7411      0.00000

 k-point   198 :       0.5000    0.0455    0.5455
  band No.  band energies     occupation
      1      -1.9047      1.00000
      2      -1.9047      1.00000
      3       2.9370      1.00000
      4       2.9370      1.00000
      5       6.7434      0.00000
      6       6.7434      0.00000
      7      15.8035      0.00000
      8      15.8041      0.00000
      9      16.7907      0.00000

 k-point   199 :       0.5000    0.0341    0.5341
  band No.  band energies     occupation
      1      -1.9103      1.00000
      2      -1.9103      1.00000
      3       2.9842      1.00000
      4       2.9842      1.00000
      5       6.6558      0.00000
      6       6.6558      0.00000
      7      15.9810      0.00000
      8      15.9865      0.00000
      9      16.8626      0.00000

 k-point   200 :       0.5000    0.0227    0.5227
  band No.  band energies     occupation
      1      -1.9143      1.00000
      2      -1.9143      1.00000
      3       3.0197      1.00000
      4       3.0197      1.00000
      5       6.5916      0.00000
      6       6.5916      0.00000
      7      16.1028      0.00000
      8      16.1038      0.00000
      9      16.9516      0.00000

 k-point   201 :       0.5000    0.0114    0.5114
  band No.  band energies     occupation
      1      -1.9167      1.00000
      2      -1.9167      1.00000
      3       3.0420      1.00000
      4       3.0420      1.00000
      5       6.5527      0.00000
      6       6.5527      0.00000
      7      16.1723      0.00000
      8      16.1729      0.00000
      9      17.0348      0.00000

 k-point   202 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation
      1      -1.9176      1.00000
      2      -1.9176      1.00000
      3       3.0494      1.00000
      4       3.0494      1.00000
      5       6.5394      0.00000
      6       6.5395      0.00000
      7      16.1932      0.00000
      8      16.1970      0.00000
      9      17.0676      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
 18.384  -0.003  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.003   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   4.175  -0.000  -0.000  -0.006   0.000   0.000
 -0.000   0.000  -0.000   4.175  -0.000   0.000  -0.006   0.000
 -0.000   0.000  -0.000  -0.000   4.175   0.000   0.000  -0.006
  0.000  -0.000  -0.006   0.000   0.000   0.005  -0.000  -0.000
  0.000  -0.000   0.000  -0.006   0.000  -0.000   0.005  -0.000
  0.000  -0.000   0.000   0.000  -0.006  -0.000  -0.000   0.005
 pseudopotential strength for first ion, spin component:           2
 18.384  -0.003  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.003   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   4.175  -0.000  -0.000  -0.006   0.000   0.000
 -0.000   0.000  -0.000   4.175  -0.000   0.000  -0.006   0.000
 -0.000   0.000  -0.000  -0.000   4.175   0.000   0.000  -0.006
  0.000  -0.000  -0.006   0.000   0.000   0.005  -0.000  -0.000
  0.000  -0.000   0.000  -0.006   0.000  -0.000   0.005  -0.000
  0.000  -0.000   0.000   0.000  -0.006  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  2.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.667   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.667   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.667   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.500   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.167   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.167   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.167   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   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 ----------------------------------------


    CHARGE:  cpu time    0.0277: real time    0.0283
    FORLOC:  cpu time    0.0003: real time    0.0003
    FORNL :  cpu time    0.0851: real time    0.0870
    STRESS:  cpu time    0.1978: real time    0.2023
    FORCOR:  cpu time    0.0128: real time    0.0131
    FORHAR:  cpu time    0.0014: real time    0.0014
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.42052     3.42052     3.42052
  Ewald     -76.61114   -76.61114   -76.61114     0.00000    -0.00000     0.00000
  Hartree     5.41946     5.41946     5.41946     0.00000     0.00000     0.00000
  E(xc)     -25.72676   -25.72676   -25.72676     0.00001     0.00001     0.00001
  Local     -30.27302   -30.27302   -30.27302     0.00005     0.00005     0.00005
  n-local    79.21331    74.81679    77.51982    -2.08771    -0.80068    -1.15673
  augment   -10.99620   -10.99620   -10.99620    -0.00004    -0.00004    -0.00004
  Kinetic    61.48112    59.04146    62.33865    -1.55587    -1.14307    -1.50544
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       3.36990     3.36990     3.36990    -0.00000    -0.00000     0.00000
  in kB     137.15335   137.15335   137.15335    -0.00000    -0.00000     0.00000
  external pressure =      137.15 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      250.00
  volume of cell :       39.37
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.700000000  2.700000000    -0.185185185  0.185185185  0.185185185
     2.700000000  0.000000000  2.700000000     0.185185185 -0.185185185  0.185185185
     2.700000000  2.700000000  0.000000000     0.185185185  0.185185185 -0.185185185

  length of vectors
     3.818376618  3.818376618  3.818376618     0.320750150  0.320750150  0.320750150


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.288E-05 0.288E-05 0.299E-05   -.765E-15 0.155E-14 -.178E-13   0.273E-16 0.447E-16 0.252E-16   0.435E-07 0.435E-07 0.464E-07
   -.288E-05 -.288E-05 -.299E-05   0.952E-15 -.214E-14 0.175E-13   -.322E-16 -.426E-16 -.296E-16   -.435E-07 -.435E-07 -.464E-07
 -----------------------------------------------------------------------------------------------
   0.128E-12 0.537E-13 -.529E-14   0.187E-15 -.585E-15 -.332E-15   -.486E-17 0.208E-17 -.434E-17   -.264E-14 -.248E-14 0.606E-15


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.70000      2.70000      2.70000        -0.000000     -0.000000     -0.000000
      4.05000      4.05000      4.05000         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.54605887 eV

  energy  without entropy=       -7.54605887  energy(sigma->0) =       -7.54605887



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


    POTLOK:  cpu time    0.1649: real time    0.1686


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


 stress matrix after NEB project (eV)
      3.36990     -0.00000      0.00000
     -0.00000      3.36990      0.00000
     -0.00000     -0.00000      3.36990
  FORCES: max atom, RMS     0.000000    0.000000
  FORCE total and by dimension    0.000000    0.000000
  Stress total and by dimension    5.836839    3.369901
     LOOP+:  cpu time    4.8662: real time    4.9848
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0    60971. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       4743. kBytes
   fftplans  :       1184. kBytes
   grid      :       2809. kBytes
   one-center:         12. kBytes
   wavefun   :      22223. kBytes



 General timing and accounting informations for this job:
 ========================================================

                  Total CPU time used (sec):        5.087
                            User time (sec):        5.029
                          System time (sec):        0.059
                         Elapsed time (sec):        5.415

                   Maximum memory used (kb):       99880.
                   Average memory used (kb):          N/A

                          Minor page faults:         7490
                          Major page faults:            2
                 Voluntary context switches:         1037
