 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Mar 26 2019 17:47:52) complex          
  
 executed on                LINUX date 2021.04.29  16:15:07
 running on   24 total cores
 distrk:  each k-point on   24 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,   24 groups


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


 INCAR:
 POTCAR:    PAW_PBE Na 08Apr2002                  
 POTCAR:    PAW_PBE Cl 06Sep2000                  

 ----------------------------------------------------------------------------- 
|                                                                             |
|           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   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default,   NCORE=1            might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE Na 08Apr2002                  
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:    PAW_PBE Cl 06Sep2000                  
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE Na 08Apr2002                  :
 energy of atom  1       EATOM=   -5.1581
 kinetic energy error for atom=    0.0000 (will be added to EATOM!!)
  PAW_PBE Cl 06Sep2000                  :
 energy of atom  2       EATOM= -409.7259
 kinetic energy error for atom=    0.0030 (will be added to EATOM!!)
 
 
 POSCAR: Achtung: Title of Simulation            
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.500  0.000  0.500-   5 2.83   6 2.83   7 2.83   7 2.83   5 2.83   6 2.83   3 4.00   4 4.00
                             2 4.00   2 4.00   3 4.00   3 4.00   3 4.00   2 4.00   4 4.00   4 4.00
   2  0.000  0.500  0.500-   5 2.83   6 2.83   8 2.83   8 2.83   6 2.83   5 2.83   3 4.00   4 4.00
                             1 4.00   1 4.00   4 4.00   3 4.00   4 4.00   1 4.00   3 4.00   4 4.00
   3  0.500  0.500  0.000-   5 2.83   7 2.83   8 2.83   5 2.83   7 2.83   8 2.83   1 4.00   2 4.00
                             1 4.00   1 4.00   4 4.00   2 4.00   1 4.00   2 4.00   4 4.00   4 4.00
   4  0.000  0.000  0.000-   6 2.83   7 2.83   8 2.83   6 2.83   8 2.83   7 2.83   1 4.00   2 4.00
                             1 4.00   2 4.00   3 4.00   2 4.00   2 4.00   1 4.00   3 4.00   3 4.00
   5  0.500  0.500  0.500-   1 2.83   2 2.83   3 2.83   3 2.83   1 2.83   2 2.83
   6  0.000  0.000  0.500-   1 2.83   2 2.83   4 2.83   4 2.83   2 2.83   1 2.83
   7  0.500  0.000  0.000-   1 2.83   3 2.83   4 2.83   1 2.83   3 2.83   4 2.83
   8  0.000  0.500  0.000-   2 2.83   3 2.83   4 2.83   2 2.83   4 2.83   3 2.83
 

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

 
 
 KPOINTS: kptsfl                                  

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    256 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.062500  0.062500  0.062500      2.000000
  0.187500  0.062500  0.062500      2.000000
  0.312500  0.062500  0.062500      2.000000
  0.437500  0.062500  0.062500      2.000000
 -0.437500  0.062500  0.062500      2.000000
 -0.312500  0.062500  0.062500      2.000000
 -0.187500  0.062500  0.062500      2.000000
 -0.062500  0.062500  0.062500      2.000000
  0.062500  0.187500  0.062500      2.000000
  0.187500  0.187500  0.062500      2.000000
  0.312500  0.187500  0.062500      2.000000
  0.437500  0.187500  0.062500      2.000000
 -0.437500  0.187500  0.062500      2.000000
 -0.312500  0.187500  0.062500      2.000000
 -0.187500  0.187500  0.062500      2.000000
 -0.062500  0.187500  0.062500      2.000000
  0.062500  0.312500  0.062500      2.000000
  0.187500  0.312500  0.062500      2.000000
  0.312500  0.312500  0.062500      2.000000
  0.437500  0.312500  0.062500      2.000000
 -0.437500  0.312500  0.062500      2.000000
 -0.312500  0.312500  0.062500      2.000000
 -0.187500  0.312500  0.062500      2.000000
 -0.062500  0.312500  0.062500      2.000000
  0.062500  0.437500  0.062500      2.000000
  0.187500  0.437500  0.062500      2.000000
  0.312500  0.437500  0.062500      2.000000
  0.437500  0.437500  0.062500      2.000000
 -0.437500  0.437500  0.062500      2.000000
 -0.312500  0.437500  0.062500      2.000000
 -0.187500  0.437500  0.062500      2.000000
 -0.062500  0.437500  0.062500      2.000000
  0.062500 -0.437500  0.062500      2.000000
  0.187500 -0.437500  0.062500      2.000000
  0.312500 -0.437500  0.062500      2.000000
  0.437500 -0.437500  0.062500      2.000000
 -0.437500 -0.437500  0.062500      2.000000
 -0.312500 -0.437500  0.062500      2.000000
 -0.187500 -0.437500  0.062500      2.000000
 -0.062500 -0.437500  0.062500      2.000000
  0.062500 -0.312500  0.062500      2.000000
  0.187500 -0.312500  0.062500      2.000000
  0.312500 -0.312500  0.062500      2.000000
  0.437500 -0.312500  0.062500      2.000000
 -0.437500 -0.312500  0.062500      2.000000
 -0.312500 -0.312500  0.062500      2.000000
 -0.187500 -0.312500  0.062500      2.000000
 -0.062500 -0.312500  0.062500      2.000000
  0.062500 -0.187500  0.062500      2.000000
  0.187500 -0.187500  0.062500      2.000000
  0.312500 -0.187500  0.062500      2.000000
  0.437500 -0.187500  0.062500      2.000000
 -0.437500 -0.187500  0.062500      2.000000
 -0.312500 -0.187500  0.062500      2.000000
 -0.187500 -0.187500  0.062500      2.000000
 -0.062500 -0.187500  0.062500      2.000000
  0.062500 -0.062500  0.062500      2.000000
  0.187500 -0.062500  0.062500      2.000000
  0.312500 -0.062500  0.062500      2.000000
  0.437500 -0.062500  0.062500      2.000000
 -0.437500 -0.062500  0.062500      2.000000
 -0.312500 -0.062500  0.062500      2.000000
 -0.187500 -0.062500  0.062500      2.000000
 -0.062500 -0.062500  0.062500      2.000000
  0.062500  0.062500  0.187500      2.000000
  0.187500  0.062500  0.187500      2.000000
  0.312500  0.062500  0.187500      2.000000
  0.437500  0.062500  0.187500      2.000000
 -0.437500  0.062500  0.187500      2.000000
 -0.312500  0.062500  0.187500      2.000000
 -0.187500  0.062500  0.187500      2.000000
 -0.062500  0.062500  0.187500      2.000000
  0.062500  0.187500  0.187500      2.000000
  0.187500  0.187500  0.187500      2.000000
  0.312500  0.187500  0.187500      2.000000
  0.437500  0.187500  0.187500      2.000000
 -0.437500  0.187500  0.187500      2.000000
 -0.312500  0.187500  0.187500      2.000000
 -0.187500  0.187500  0.187500      2.000000
 -0.062500  0.187500  0.187500      2.000000
  0.062500  0.312500  0.187500      2.000000
  0.187500  0.312500  0.187500      2.000000
  0.312500  0.312500  0.187500      2.000000
  0.437500  0.312500  0.187500      2.000000
 -0.437500  0.312500  0.187500      2.000000
 -0.312500  0.312500  0.187500      2.000000
 -0.187500  0.312500  0.187500      2.000000
 -0.062500  0.312500  0.187500      2.000000
  0.062500  0.437500  0.187500      2.000000
  0.187500  0.437500  0.187500      2.000000
  0.312500  0.437500  0.187500      2.000000
  0.437500  0.437500  0.187500      2.000000
 -0.437500  0.437500  0.187500      2.000000
 -0.312500  0.437500  0.187500      2.000000
 -0.187500  0.437500  0.187500      2.000000
 -0.062500  0.437500  0.187500      2.000000
  0.062500 -0.437500  0.187500      2.000000
  0.187500 -0.437500  0.187500      2.000000
  0.312500 -0.437500  0.187500      2.000000
  0.437500 -0.437500  0.187500      2.000000
 -0.437500 -0.437500  0.187500      2.000000
 -0.312500 -0.437500  0.187500      2.000000
 -0.187500 -0.437500  0.187500      2.000000
 -0.062500 -0.437500  0.187500      2.000000
  0.062500 -0.312500  0.187500      2.000000
  0.187500 -0.312500  0.187500      2.000000
  0.312500 -0.312500  0.187500      2.000000
  0.437500 -0.312500  0.187500      2.000000
 -0.437500 -0.312500  0.187500      2.000000
 -0.312500 -0.312500  0.187500      2.000000
 -0.187500 -0.312500  0.187500      2.000000
 -0.062500 -0.312500  0.187500      2.000000
  0.062500 -0.187500  0.187500      2.000000
  0.187500 -0.187500  0.187500      2.000000
  0.312500 -0.187500  0.187500      2.000000
  0.437500 -0.187500  0.187500      2.000000
 -0.437500 -0.187500  0.187500      2.000000
 -0.312500 -0.187500  0.187500      2.000000
 -0.187500 -0.187500  0.187500      2.000000
 -0.062500 -0.187500  0.187500      2.000000
  0.062500 -0.062500  0.187500      2.000000
  0.187500 -0.062500  0.187500      2.000000
  0.312500 -0.062500  0.187500      2.000000
  0.437500 -0.062500  0.187500      2.000000
 -0.437500 -0.062500  0.187500      2.000000
 -0.312500 -0.062500  0.187500      2.000000
 -0.187500 -0.062500  0.187500      2.000000
 -0.062500 -0.062500  0.187500      2.000000
  0.062500  0.062500  0.312500      2.000000
  0.187500  0.062500  0.312500      2.000000
  0.312500  0.062500  0.312500      2.000000
  0.437500  0.062500  0.312500      2.000000
 -0.437500  0.062500  0.312500      2.000000
 -0.312500  0.062500  0.312500      2.000000
 -0.187500  0.062500  0.312500      2.000000
 -0.062500  0.062500  0.312500      2.000000
  0.062500  0.187500  0.312500      2.000000
  0.187500  0.187500  0.312500      2.000000
  0.312500  0.187500  0.312500      2.000000
  0.437500  0.187500  0.312500      2.000000
 -0.437500  0.187500  0.312500      2.000000
 -0.312500  0.187500  0.312500      2.000000
 -0.187500  0.187500  0.312500      2.000000
 -0.062500  0.187500  0.312500      2.000000
  0.062500  0.312500  0.312500      2.000000
  0.187500  0.312500  0.312500      2.000000
  0.312500  0.312500  0.312500      2.000000
  0.437500  0.312500  0.312500      2.000000
 -0.437500  0.312500  0.312500      2.000000
 -0.312500  0.312500  0.312500      2.000000
 -0.187500  0.312500  0.312500      2.000000
 -0.062500  0.312500  0.312500      2.000000
  0.062500  0.437500  0.312500      2.000000
  0.187500  0.437500  0.312500      2.000000
  0.312500  0.437500  0.312500      2.000000
  0.437500  0.437500  0.312500      2.000000
 -0.437500  0.437500  0.312500      2.000000
 -0.312500  0.437500  0.312500      2.000000
 -0.187500  0.437500  0.312500      2.000000
 -0.062500  0.437500  0.312500      2.000000
  0.062500 -0.437500  0.312500      2.000000
  0.187500 -0.437500  0.312500      2.000000
  0.312500 -0.437500  0.312500      2.000000
  0.437500 -0.437500  0.312500      2.000000
 -0.437500 -0.437500  0.312500      2.000000
 -0.312500 -0.437500  0.312500      2.000000
 -0.187500 -0.437500  0.312500      2.000000
 -0.062500 -0.437500  0.312500      2.000000
  0.062500 -0.312500  0.312500      2.000000
  0.187500 -0.312500  0.312500      2.000000
  0.312500 -0.312500  0.312500      2.000000
  0.437500 -0.312500  0.312500      2.000000
 -0.437500 -0.312500  0.312500      2.000000
 -0.312500 -0.312500  0.312500      2.000000
 -0.187500 -0.312500  0.312500      2.000000
 -0.062500 -0.312500  0.312500      2.000000
  0.062500 -0.187500  0.312500      2.000000
  0.187500 -0.187500  0.312500      2.000000
  0.312500 -0.187500  0.312500      2.000000
  0.437500 -0.187500  0.312500      2.000000
 -0.437500 -0.187500  0.312500      2.000000
 -0.312500 -0.187500  0.312500      2.000000
 -0.187500 -0.187500  0.312500      2.000000
 -0.062500 -0.187500  0.312500      2.000000
  0.062500 -0.062500  0.312500      2.000000
  0.187500 -0.062500  0.312500      2.000000
  0.312500 -0.062500  0.312500      2.000000
  0.437500 -0.062500  0.312500      2.000000
 -0.437500 -0.062500  0.312500      2.000000
 -0.312500 -0.062500  0.312500      2.000000
 -0.187500 -0.062500  0.312500      2.000000
 -0.062500 -0.062500  0.312500      2.000000
  0.062500  0.062500  0.437500      2.000000
  0.187500  0.062500  0.437500      2.000000
  0.312500  0.062500  0.437500      2.000000
  0.437500  0.062500  0.437500      2.000000
 -0.437500  0.062500  0.437500      2.000000
 -0.312500  0.062500  0.437500      2.000000
 -0.187500  0.062500  0.437500      2.000000
 -0.062500  0.062500  0.437500      2.000000
  0.062500  0.187500  0.437500      2.000000
  0.187500  0.187500  0.437500      2.000000
  0.312500  0.187500  0.437500      2.000000
  0.437500  0.187500  0.437500      2.000000
 -0.437500  0.187500  0.437500      2.000000
 -0.312500  0.187500  0.437500      2.000000
 -0.187500  0.187500  0.437500      2.000000
 -0.062500  0.187500  0.437500      2.000000
  0.062500  0.312500  0.437500      2.000000
  0.187500  0.312500  0.437500      2.000000
  0.312500  0.312500  0.437500      2.000000
  0.437500  0.312500  0.437500      2.000000
 -0.437500  0.312500  0.437500      2.000000
 -0.312500  0.312500  0.437500      2.000000
 -0.187500  0.312500  0.437500      2.000000
 -0.062500  0.312500  0.437500      2.000000
  0.062500  0.437500  0.437500      2.000000
  0.187500  0.437500  0.437500      2.000000
  0.312500  0.437500  0.437500      2.000000
  0.437500  0.437500  0.437500      2.000000
 -0.437500  0.437500  0.437500      2.000000
 -0.312500  0.437500  0.437500      2.000000
 -0.187500  0.437500  0.437500      2.000000
 -0.062500  0.437500  0.437500      2.000000
  0.062500 -0.437500  0.437500      2.000000
  0.187500 -0.437500  0.437500      2.000000
  0.312500 -0.437500  0.437500      2.000000
  0.437500 -0.437500  0.437500      2.000000
 -0.437500 -0.437500  0.437500      2.000000
 -0.312500 -0.437500  0.437500      2.000000
 -0.187500 -0.437500  0.437500      2.000000
 -0.062500 -0.437500  0.437500      2.000000
  0.062500 -0.312500  0.437500      2.000000
  0.187500 -0.312500  0.437500      2.000000
  0.312500 -0.312500  0.437500      2.000000
  0.437500 -0.312500  0.437500      2.000000
 -0.437500 -0.312500  0.437500      2.000000
 -0.312500 -0.312500  0.437500      2.000000
 -0.187500 -0.312500  0.437500      2.000000
 -0.062500 -0.312500  0.437500      2.000000
  0.062500 -0.187500  0.437500      2.000000
  0.187500 -0.187500  0.437500      2.000000
  0.312500 -0.187500  0.437500      2.000000
  0.437500 -0.187500  0.437500      2.000000
 -0.437500 -0.187500  0.437500      2.000000
 -0.312500 -0.187500  0.437500      2.000000
 -0.187500 -0.187500  0.437500      2.000000
 -0.062500 -0.187500  0.437500      2.000000
  0.062500 -0.062500  0.437500      2.000000
  0.187500 -0.062500  0.437500      2.000000
  0.312500 -0.062500  0.437500      2.000000
  0.437500 -0.062500  0.437500      2.000000
 -0.437500 -0.062500  0.437500      2.000000
 -0.312500 -0.062500  0.437500      2.000000
 -0.187500 -0.062500  0.437500      2.000000
 -0.062500 -0.062500  0.437500      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.011060  0.011060  0.011060      2.000000
  0.033180  0.011060  0.011060      2.000000
  0.055300  0.011060  0.011060      2.000000
  0.077420  0.011060  0.011060      2.000000
 -0.077420  0.011060  0.011060      2.000000
 -0.055300  0.011060  0.011060      2.000000
 -0.033180  0.011060  0.011060      2.000000
 -0.011060  0.011060  0.011060      2.000000
  0.011060  0.033180  0.011060      2.000000
  0.033180  0.033180  0.011060      2.000000
  0.055300  0.033180  0.011060      2.000000
  0.077420  0.033180  0.011060      2.000000
 -0.077420  0.033180  0.011060      2.000000
 -0.055300  0.033180  0.011060      2.000000
 -0.033180  0.033180  0.011060      2.000000
 -0.011060  0.033180  0.011060      2.000000
  0.011060  0.055300  0.011060      2.000000
  0.033180  0.055300  0.011060      2.000000
  0.055300  0.055300  0.011060      2.000000
  0.077420  0.055300  0.011060      2.000000
 -0.077420  0.055300  0.011060      2.000000
 -0.055300  0.055300  0.011060      2.000000
 -0.033180  0.055300  0.011060      2.000000
 -0.011060  0.055300  0.011060      2.000000
  0.011060  0.077420  0.011060      2.000000
  0.033180  0.077420  0.011060      2.000000
  0.055300  0.077420  0.011060      2.000000
  0.077420  0.077420  0.011060      2.000000
 -0.077420  0.077420  0.011060      2.000000
 -0.055300  0.077420  0.011060      2.000000
 -0.033180  0.077420  0.011060      2.000000
 -0.011060  0.077420  0.011060      2.000000
  0.011060 -0.077420  0.011060      2.000000
  0.033180 -0.077420  0.011060      2.000000
  0.055300 -0.077420  0.011060      2.000000
  0.077420 -0.077420  0.011060      2.000000
 -0.077420 -0.077420  0.011060      2.000000
 -0.055300 -0.077420  0.011060      2.000000
 -0.033180 -0.077420  0.011060      2.000000
 -0.011060 -0.077420  0.011060      2.000000
  0.011060 -0.055300  0.011060      2.000000
  0.033180 -0.055300  0.011060      2.000000
  0.055300 -0.055300  0.011060      2.000000
  0.077420 -0.055300  0.011060      2.000000
 -0.077420 -0.055300  0.011060      2.000000
 -0.055300 -0.055300  0.011060      2.000000
 -0.033180 -0.055300  0.011060      2.000000
 -0.011060 -0.055300  0.011060      2.000000
  0.011060 -0.033180  0.011060      2.000000
  0.033180 -0.033180  0.011060      2.000000
  0.055300 -0.033180  0.011060      2.000000
  0.077420 -0.033180  0.011060      2.000000
 -0.077420 -0.033180  0.011060      2.000000
 -0.055300 -0.033180  0.011060      2.000000
 -0.033180 -0.033180  0.011060      2.000000
 -0.011060 -0.033180  0.011060      2.000000
  0.011060 -0.011060  0.011060      2.000000
  0.033180 -0.011060  0.011060      2.000000
  0.055300 -0.011060  0.011060      2.000000
  0.077420 -0.011060  0.011060      2.000000
 -0.077420 -0.011060  0.011060      2.000000
 -0.055300 -0.011060  0.011060      2.000000
 -0.033180 -0.011060  0.011060      2.000000
 -0.011060 -0.011060  0.011060      2.000000
  0.011060  0.011060  0.033180      2.000000
  0.033180  0.011060  0.033180      2.000000
  0.055300  0.011060  0.033180      2.000000
  0.077420  0.011060  0.033180      2.000000
 -0.077420  0.011060  0.033180      2.000000
 -0.055300  0.011060  0.033180      2.000000
 -0.033180  0.011060  0.033180      2.000000
 -0.011060  0.011060  0.033180      2.000000
  0.011060  0.033180  0.033180      2.000000
  0.033180  0.033180  0.033180      2.000000
  0.055300  0.033180  0.033180      2.000000
  0.077420  0.033180  0.033180      2.000000
 -0.077420  0.033180  0.033180      2.000000
 -0.055300  0.033180  0.033180      2.000000
 -0.033180  0.033180  0.033180      2.000000
 -0.011060  0.033180  0.033180      2.000000
  0.011060  0.055300  0.033180      2.000000
  0.033180  0.055300  0.033180      2.000000
  0.055300  0.055300  0.033180      2.000000
  0.077420  0.055300  0.033180      2.000000
 -0.077420  0.055300  0.033180      2.000000
 -0.055300  0.055300  0.033180      2.000000
 -0.033180  0.055300  0.033180      2.000000
 -0.011060  0.055300  0.033180      2.000000
  0.011060  0.077420  0.033180      2.000000
  0.033180  0.077420  0.033180      2.000000
  0.055300  0.077420  0.033180      2.000000
  0.077420  0.077420  0.033180      2.000000
 -0.077420  0.077420  0.033180      2.000000
 -0.055300  0.077420  0.033180      2.000000
 -0.033180  0.077420  0.033180      2.000000
 -0.011060  0.077420  0.033180      2.000000
  0.011060 -0.077420  0.033180      2.000000
  0.033180 -0.077420  0.033180      2.000000
  0.055300 -0.077420  0.033180      2.000000
  0.077420 -0.077420  0.033180      2.000000
 -0.077420 -0.077420  0.033180      2.000000
 -0.055300 -0.077420  0.033180      2.000000
 -0.033180 -0.077420  0.033180      2.000000
 -0.011060 -0.077420  0.033180      2.000000
  0.011060 -0.055300  0.033180      2.000000
  0.033180 -0.055300  0.033180      2.000000
  0.055300 -0.055300  0.033180      2.000000
  0.077420 -0.055300  0.033180      2.000000
 -0.077420 -0.055300  0.033180      2.000000
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 -0.033180 -0.055300  0.033180      2.000000
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  0.033180 -0.033180  0.033180      2.000000
  0.055300 -0.033180  0.033180      2.000000
  0.077420 -0.033180  0.033180      2.000000
 -0.077420 -0.033180  0.033180      2.000000
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  0.011060 -0.011060  0.033180      2.000000
  0.033180 -0.011060  0.033180      2.000000
  0.055300 -0.011060  0.033180      2.000000
  0.077420 -0.011060  0.033180      2.000000
 -0.077420 -0.011060  0.033180      2.000000
 -0.055300 -0.011060  0.033180      2.000000
 -0.033180 -0.011060  0.033180      2.000000
 -0.011060 -0.011060  0.033180      2.000000
  0.011060  0.011060  0.055300      2.000000
  0.033180  0.011060  0.055300      2.000000
  0.055300  0.011060  0.055300      2.000000
  0.077420  0.011060  0.055300      2.000000
 -0.077420  0.011060  0.055300      2.000000
 -0.055300  0.011060  0.055300      2.000000
 -0.033180  0.011060  0.055300      2.000000
 -0.011060  0.011060  0.055300      2.000000
  0.011060  0.033180  0.055300      2.000000
  0.033180  0.033180  0.055300      2.000000
  0.055300  0.033180  0.055300      2.000000
  0.077420  0.033180  0.055300      2.000000
 -0.077420  0.033180  0.055300      2.000000
 -0.055300  0.033180  0.055300      2.000000
 -0.033180  0.033180  0.055300      2.000000
 -0.011060  0.033180  0.055300      2.000000
  0.011060  0.055300  0.055300      2.000000
  0.033180  0.055300  0.055300      2.000000
  0.055300  0.055300  0.055300      2.000000
  0.077420  0.055300  0.055300      2.000000
 -0.077420  0.055300  0.055300      2.000000
 -0.055300  0.055300  0.055300      2.000000
 -0.033180  0.055300  0.055300      2.000000
 -0.011060  0.055300  0.055300      2.000000
  0.011060  0.077420  0.055300      2.000000
  0.033180  0.077420  0.055300      2.000000
  0.055300  0.077420  0.055300      2.000000
  0.077420  0.077420  0.055300      2.000000
 -0.077420  0.077420  0.055300      2.000000
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  0.033180 -0.077420  0.055300      2.000000
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  0.077420 -0.077420  0.055300      2.000000
 -0.077420 -0.077420  0.055300      2.000000
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 -0.033180 -0.077420  0.055300      2.000000
 -0.011060 -0.077420  0.055300      2.000000
  0.011060 -0.055300  0.055300      2.000000
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  0.033180 -0.055300  0.077420      2.000000
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  0.077420 -0.055300  0.077420      2.000000
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  0.011060 -0.033180  0.077420      2.000000
  0.033180 -0.033180  0.077420      2.000000
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  0.077420 -0.033180  0.077420      2.000000
 -0.077420 -0.033180  0.077420      2.000000
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 -0.033180 -0.033180  0.077420      2.000000
 -0.011060 -0.033180  0.077420      2.000000
  0.011060 -0.011060  0.077420      2.000000
  0.033180 -0.011060  0.077420      2.000000
  0.055300 -0.011060  0.077420      2.000000
  0.077420 -0.011060  0.077420      2.000000
 -0.077420 -0.011060  0.077420      2.000000
 -0.055300 -0.011060  0.077420      2.000000
 -0.033180 -0.011060  0.077420      2.000000
 -0.011060 -0.011060  0.077420      2.000000
 
 TETIRR: Found   1536 inequivalent tetrahedra from     3072


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




 Dimension of arrays:
   k-points           NKPTS =    256   k-points in BZ     NKDIM =    256   number of bands    NBANDS=     24
   number of dos      NEDOS =    301   number of ions     NIONS =      8
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  74088
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  20186
   dimension x,y,z NGX =    42 NGY =   42 NGZ =   42
   dimension x,y,z NGXF=    84 NGYF=   84 NGZF=   84
   support grid    NGXF=    84 NGYF=   84 NGZF=   84
   ions per type =               4   4
   NGX,Y,Z   is equivalent  to a cutoff of  12.36, 12.36, 12.36 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  24.71, 24.71, 24.71 a.u.

 SYSTEM =  NaCl                                    
 POSCAR =  Achtung: Title of Simulation            

 Startparameter for this run:
   NWRITE =      0    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  500.0 eV  36.75 Ry    6.06 a.u.  10.30 10.30 10.30*2*pi/ulx,y,z
   ENINI  =  500.0     initial cutoff
   ENAUG  =  356.2 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-06   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   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-05   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   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.730E-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 =  22.99 35.45
  Ionic Valenz
   ZVAL   =   1.00  7.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00
   NELECT =      32.0000    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 =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    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 =  0.10E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      22.56       152.22
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.919742  1.738061 11.509524  0.845926
  Thomas-Fermi vector in A             =   2.044970
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    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 will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            8
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


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


  energy-cutoff  :      500.00
  volume of cell :      180.46
      direct lattice vectors                 reciprocal lattice vectors
     5.650999387  0.000000000  0.000000000     0.176959849  0.000000000  0.000000000
     0.000000000  5.650999387  0.000000000     0.000000000  0.176959849  0.000000000
     0.000000000  0.000000000  5.650999387     0.000000000  0.000000000  0.176959849

  length of vectors
     5.650999387  5.650999387  5.650999387     0.176959849  0.176959849  0.176959849


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :      180.46
      direct lattice vectors                 reciprocal lattice vectors
     5.650999387  0.000000000  0.000000000     0.176959849  0.000000000  0.000000000
     0.000000000  5.650999387  0.000000000     0.000000000  0.176959849  0.000000000
     0.000000000  0.000000000  5.650999387     0.000000000  0.000000000  0.176959849

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: kptsfl                                  
   0.01105999  0.01105999  0.01105999       0.004
   0.03317997  0.01105999  0.01105999       0.004
   0.05529995  0.01105999  0.01105999       0.004
   0.07741993  0.01105999  0.01105999       0.004
  -0.07741993  0.01105999  0.01105999       0.004
  -0.05529995  0.01105999  0.01105999       0.004
  -0.03317997  0.01105999  0.01105999       0.004
  -0.01105999  0.01105999  0.01105999       0.004
   0.01105999  0.03317997  0.01105999       0.004
   0.03317997  0.03317997  0.01105999       0.004
   0.05529995  0.03317997  0.01105999       0.004
   0.07741993  0.03317997  0.01105999       0.004
  -0.07741993  0.03317997  0.01105999       0.004
  -0.05529995  0.03317997  0.01105999       0.004
  -0.03317997  0.03317997  0.01105999       0.004
  -0.01105999  0.03317997  0.01105999       0.004
   0.01105999  0.05529995  0.01105999       0.004
   0.03317997  0.05529995  0.01105999       0.004
   0.05529995  0.05529995  0.01105999       0.004
   0.07741993  0.05529995  0.01105999       0.004
  -0.07741993  0.05529995  0.01105999       0.004
  -0.05529995  0.05529995  0.01105999       0.004
  -0.03317997  0.05529995  0.01105999       0.004
  -0.01105999  0.05529995  0.01105999       0.004
   0.01105999  0.07741993  0.01105999       0.004
   0.03317997  0.07741993  0.01105999       0.004
   0.05529995  0.07741993  0.01105999       0.004
   0.07741993  0.07741993  0.01105999       0.004
  -0.07741993  0.07741993  0.01105999       0.004
  -0.05529995  0.07741993  0.01105999       0.004
  -0.03317997  0.07741993  0.01105999       0.004
  -0.01105999  0.07741993  0.01105999       0.004
   0.01105999 -0.07741993  0.01105999       0.004
   0.03317997 -0.07741993  0.01105999       0.004
   0.05529995 -0.07741993  0.01105999       0.004
   0.07741993 -0.07741993  0.01105999       0.004
  -0.07741993 -0.07741993  0.01105999       0.004
  -0.05529995 -0.07741993  0.01105999       0.004
  -0.03317997 -0.07741993  0.01105999       0.004
  -0.01105999 -0.07741993  0.01105999       0.004
   0.01105999 -0.05529995  0.01105999       0.004
   0.03317997 -0.05529995  0.01105999       0.004
   0.05529995 -0.05529995  0.01105999       0.004
   0.07741993 -0.05529995  0.01105999       0.004
  -0.07741993 -0.05529995  0.01105999       0.004
  -0.05529995 -0.05529995  0.01105999       0.004
  -0.03317997 -0.05529995  0.01105999       0.004
  -0.01105999 -0.05529995  0.01105999       0.004
   0.01105999 -0.03317997  0.01105999       0.004
   0.03317997 -0.03317997  0.01105999       0.004
   0.05529995 -0.03317997  0.01105999       0.004
   0.07741993 -0.03317997  0.01105999       0.004
  -0.07741993 -0.03317997  0.01105999       0.004
  -0.05529995 -0.03317997  0.01105999       0.004
  -0.03317997 -0.03317997  0.01105999       0.004
  -0.01105999 -0.03317997  0.01105999       0.004
   0.01105999 -0.01105999  0.01105999       0.004
   0.03317997 -0.01105999  0.01105999       0.004
   0.05529995 -0.01105999  0.01105999       0.004
   0.07741993 -0.01105999  0.01105999       0.004
  -0.07741993 -0.01105999  0.01105999       0.004
  -0.05529995 -0.01105999  0.01105999       0.004
  -0.03317997 -0.01105999  0.01105999       0.004
  -0.01105999 -0.01105999  0.01105999       0.004
   0.01105999  0.01105999  0.03317997       0.004
   0.03317997  0.01105999  0.03317997       0.004
   0.05529995  0.01105999  0.03317997       0.004
   0.07741993  0.01105999  0.03317997       0.004
  -0.07741993  0.01105999  0.03317997       0.004
  -0.05529995  0.01105999  0.03317997       0.004
  -0.03317997  0.01105999  0.03317997       0.004
  -0.01105999  0.01105999  0.03317997       0.004
   0.01105999  0.03317997  0.03317997       0.004
   0.03317997  0.03317997  0.03317997       0.004
   0.05529995  0.03317997  0.03317997       0.004
   0.07741993  0.03317997  0.03317997       0.004
  -0.07741993  0.03317997  0.03317997       0.004
  -0.05529995  0.03317997  0.03317997       0.004
  -0.03317997  0.03317997  0.03317997       0.004
  -0.01105999  0.03317997  0.03317997       0.004
   0.01105999  0.05529995  0.03317997       0.004
   0.03317997  0.05529995  0.03317997       0.004
   0.05529995  0.05529995  0.03317997       0.004
   0.07741993  0.05529995  0.03317997       0.004
  -0.07741993  0.05529995  0.03317997       0.004
  -0.05529995  0.05529995  0.03317997       0.004
  -0.03317997  0.05529995  0.03317997       0.004
  -0.01105999  0.05529995  0.03317997       0.004
   0.01105999  0.07741993  0.03317997       0.004
   0.03317997  0.07741993  0.03317997       0.004
   0.05529995  0.07741993  0.03317997       0.004
   0.07741993  0.07741993  0.03317997       0.004
  -0.07741993  0.07741993  0.03317997       0.004
  -0.05529995  0.07741993  0.03317997       0.004
  -0.03317997  0.07741993  0.03317997       0.004
  -0.01105999  0.07741993  0.03317997       0.004
   0.01105999 -0.07741993  0.03317997       0.004
   0.03317997 -0.07741993  0.03317997       0.004
   0.05529995 -0.07741993  0.03317997       0.004
   0.07741993 -0.07741993  0.03317997       0.004
  -0.07741993 -0.07741993  0.03317997       0.004
  -0.05529995 -0.07741993  0.03317997       0.004
  -0.03317997 -0.07741993  0.03317997       0.004
  -0.01105999 -0.07741993  0.03317997       0.004
   0.01105999 -0.05529995  0.03317997       0.004
   0.03317997 -0.05529995  0.03317997       0.004
   0.05529995 -0.05529995  0.03317997       0.004
   0.07741993 -0.05529995  0.03317997       0.004
  -0.07741993 -0.05529995  0.03317997       0.004
  -0.05529995 -0.05529995  0.03317997       0.004
  -0.03317997 -0.05529995  0.03317997       0.004
  -0.01105999 -0.05529995  0.03317997       0.004
   0.01105999 -0.03317997  0.03317997       0.004
   0.03317997 -0.03317997  0.03317997       0.004
   0.05529995 -0.03317997  0.03317997       0.004
   0.07741993 -0.03317997  0.03317997       0.004
  -0.07741993 -0.03317997  0.03317997       0.004
  -0.05529995 -0.03317997  0.03317997       0.004
  -0.03317997 -0.03317997  0.03317997       0.004
  -0.01105999 -0.03317997  0.03317997       0.004
   0.01105999 -0.01105999  0.03317997       0.004
   0.03317997 -0.01105999  0.03317997       0.004
   0.05529995 -0.01105999  0.03317997       0.004
   0.07741993 -0.01105999  0.03317997       0.004
  -0.07741993 -0.01105999  0.03317997       0.004
  -0.05529995 -0.01105999  0.03317997       0.004
  -0.03317997 -0.01105999  0.03317997       0.004
  -0.01105999 -0.01105999  0.03317997       0.004
   0.01105999  0.01105999  0.05529995       0.004
   0.03317997  0.01105999  0.05529995       0.004
   0.05529995  0.01105999  0.05529995       0.004
   0.07741993  0.01105999  0.05529995       0.004
  -0.07741993  0.01105999  0.05529995       0.004
  -0.05529995  0.01105999  0.05529995       0.004
  -0.03317997  0.01105999  0.05529995       0.004
  -0.01105999  0.01105999  0.05529995       0.004
   0.01105999  0.03317997  0.05529995       0.004
   0.03317997  0.03317997  0.05529995       0.004
   0.05529995  0.03317997  0.05529995       0.004
   0.07741993  0.03317997  0.05529995       0.004
  -0.07741993  0.03317997  0.05529995       0.004
  -0.05529995  0.03317997  0.05529995       0.004
  -0.03317997  0.03317997  0.05529995       0.004
  -0.01105999  0.03317997  0.05529995       0.004
   0.01105999  0.05529995  0.05529995       0.004
   0.03317997  0.05529995  0.05529995       0.004
   0.05529995  0.05529995  0.05529995       0.004
   0.07741993  0.05529995  0.05529995       0.004
  -0.07741993  0.05529995  0.05529995       0.004
  -0.05529995  0.05529995  0.05529995       0.004
  -0.03317997  0.05529995  0.05529995       0.004
  -0.01105999  0.05529995  0.05529995       0.004
   0.01105999  0.07741993  0.05529995       0.004
   0.03317997  0.07741993  0.05529995       0.004
   0.05529995  0.07741993  0.05529995       0.004
   0.07741993  0.07741993  0.05529995       0.004
  -0.07741993  0.07741993  0.05529995       0.004
  -0.05529995  0.07741993  0.05529995       0.004
  -0.03317997  0.07741993  0.05529995       0.004
  -0.01105999  0.07741993  0.05529995       0.004
   0.01105999 -0.07741993  0.05529995       0.004
   0.03317997 -0.07741993  0.05529995       0.004
   0.05529995 -0.07741993  0.05529995       0.004
   0.07741993 -0.07741993  0.05529995       0.004
  -0.07741993 -0.07741993  0.05529995       0.004
  -0.05529995 -0.07741993  0.05529995       0.004
  -0.03317997 -0.07741993  0.05529995       0.004
  -0.01105999 -0.07741993  0.05529995       0.004
   0.01105999 -0.05529995  0.05529995       0.004
   0.03317997 -0.05529995  0.05529995       0.004
   0.05529995 -0.05529995  0.05529995       0.004
   0.07741993 -0.05529995  0.05529995       0.004
  -0.07741993 -0.05529995  0.05529995       0.004
  -0.05529995 -0.05529995  0.05529995       0.004
  -0.03317997 -0.05529995  0.05529995       0.004
  -0.01105999 -0.05529995  0.05529995       0.004
   0.01105999 -0.03317997  0.05529995       0.004
   0.03317997 -0.03317997  0.05529995       0.004
   0.05529995 -0.03317997  0.05529995       0.004
   0.07741993 -0.03317997  0.05529995       0.004
  -0.07741993 -0.03317997  0.05529995       0.004
  -0.05529995 -0.03317997  0.05529995       0.004
  -0.03317997 -0.03317997  0.05529995       0.004
  -0.01105999 -0.03317997  0.05529995       0.004
   0.01105999 -0.01105999  0.05529995       0.004
   0.03317997 -0.01105999  0.05529995       0.004
   0.05529995 -0.01105999  0.05529995       0.004
   0.07741993 -0.01105999  0.05529995       0.004
  -0.07741993 -0.01105999  0.05529995       0.004
  -0.05529995 -0.01105999  0.05529995       0.004
  -0.03317997 -0.01105999  0.05529995       0.004
  -0.01105999 -0.01105999  0.05529995       0.004
   0.01105999  0.01105999  0.07741993       0.004
   0.03317997  0.01105999  0.07741993       0.004
   0.05529995  0.01105999  0.07741993       0.004
   0.07741993  0.01105999  0.07741993       0.004
  -0.07741993  0.01105999  0.07741993       0.004
  -0.05529995  0.01105999  0.07741993       0.004
  -0.03317997  0.01105999  0.07741993       0.004
  -0.01105999  0.01105999  0.07741993       0.004
   0.01105999  0.03317997  0.07741993       0.004
   0.03317997  0.03317997  0.07741993       0.004
   0.05529995  0.03317997  0.07741993       0.004
   0.07741993  0.03317997  0.07741993       0.004
  -0.07741993  0.03317997  0.07741993       0.004
  -0.05529995  0.03317997  0.07741993       0.004
  -0.03317997  0.03317997  0.07741993       0.004
  -0.01105999  0.03317997  0.07741993       0.004
   0.01105999  0.05529995  0.07741993       0.004
   0.03317997  0.05529995  0.07741993       0.004
   0.05529995  0.05529995  0.07741993       0.004
   0.07741993  0.05529995  0.07741993       0.004
  -0.07741993  0.05529995  0.07741993       0.004
  -0.05529995  0.05529995  0.07741993       0.004
  -0.03317997  0.05529995  0.07741993       0.004
  -0.01105999  0.05529995  0.07741993       0.004
   0.01105999  0.07741993  0.07741993       0.004
   0.03317997  0.07741993  0.07741993       0.004
   0.05529995  0.07741993  0.07741993       0.004
   0.07741993  0.07741993  0.07741993       0.004
  -0.07741993  0.07741993  0.07741993       0.004
  -0.05529995  0.07741993  0.07741993       0.004
  -0.03317997  0.07741993  0.07741993       0.004
  -0.01105999  0.07741993  0.07741993       0.004
   0.01105999 -0.07741993  0.07741993       0.004
   0.03317997 -0.07741993  0.07741993       0.004
   0.05529995 -0.07741993  0.07741993       0.004
   0.07741993 -0.07741993  0.07741993       0.004
  -0.07741993 -0.07741993  0.07741993       0.004
  -0.05529995 -0.07741993  0.07741993       0.004
  -0.03317997 -0.07741993  0.07741993       0.004
  -0.01105999 -0.07741993  0.07741993       0.004
   0.01105999 -0.05529995  0.07741993       0.004
   0.03317997 -0.05529995  0.07741993       0.004
   0.05529995 -0.05529995  0.07741993       0.004
   0.07741993 -0.05529995  0.07741993       0.004
  -0.07741993 -0.05529995  0.07741993       0.004
  -0.05529995 -0.05529995  0.07741993       0.004
  -0.03317997 -0.05529995  0.07741993       0.004
  -0.01105999 -0.05529995  0.07741993       0.004
   0.01105999 -0.03317997  0.07741993       0.004
   0.03317997 -0.03317997  0.07741993       0.004
   0.05529995 -0.03317997  0.07741993       0.004
   0.07741993 -0.03317997  0.07741993       0.004
  -0.07741993 -0.03317997  0.07741993       0.004
  -0.05529995 -0.03317997  0.07741993       0.004
  -0.03317997 -0.03317997  0.07741993       0.004
  -0.01105999 -0.03317997  0.07741993       0.004
   0.01105999 -0.01105999  0.07741993       0.004
   0.03317997 -0.01105999  0.07741993       0.004
   0.05529995 -0.01105999  0.07741993       0.004
   0.07741993 -0.01105999  0.07741993       0.004
  -0.07741993 -0.01105999  0.07741993       0.004
  -0.05529995 -0.01105999  0.07741993       0.004
  -0.03317997 -0.01105999  0.07741993       0.004
  -0.01105999 -0.01105999  0.07741993       0.004
 
 k-points in reciprocal lattice and weights: kptsfl                                  
   0.06250000  0.06250000  0.06250000       0.004
   0.18750000  0.06250000  0.06250000       0.004
   0.31250000  0.06250000  0.06250000       0.004
   0.43750000  0.06250000  0.06250000       0.004
  -0.43750000  0.06250000  0.06250000       0.004
  -0.31250000  0.06250000  0.06250000       0.004
  -0.18750000  0.06250000  0.06250000       0.004
  -0.06250000  0.06250000  0.06250000       0.004
   0.06250000  0.18750000  0.06250000       0.004
   0.18750000  0.18750000  0.06250000       0.004
   0.31250000  0.18750000  0.06250000       0.004
   0.43750000  0.18750000  0.06250000       0.004
  -0.43750000  0.18750000  0.06250000       0.004
  -0.31250000  0.18750000  0.06250000       0.004
  -0.18750000  0.18750000  0.06250000       0.004
  -0.06250000  0.18750000  0.06250000       0.004
   0.06250000  0.31250000  0.06250000       0.004
   0.18750000  0.31250000  0.06250000       0.004
   0.31250000  0.31250000  0.06250000       0.004
   0.43750000  0.31250000  0.06250000       0.004
  -0.43750000  0.31250000  0.06250000       0.004
  -0.31250000  0.31250000  0.06250000       0.004
  -0.18750000  0.31250000  0.06250000       0.004
  -0.06250000  0.31250000  0.06250000       0.004
   0.06250000  0.43750000  0.06250000       0.004
   0.18750000  0.43750000  0.06250000       0.004
   0.31250000  0.43750000  0.06250000       0.004
   0.43750000  0.43750000  0.06250000       0.004
  -0.43750000  0.43750000  0.06250000       0.004
  -0.31250000  0.43750000  0.06250000       0.004
  -0.18750000  0.43750000  0.06250000       0.004
  -0.06250000  0.43750000  0.06250000       0.004
   0.06250000 -0.43750000  0.06250000       0.004
   0.18750000 -0.43750000  0.06250000       0.004
   0.31250000 -0.43750000  0.06250000       0.004
   0.43750000 -0.43750000  0.06250000       0.004
  -0.43750000 -0.43750000  0.06250000       0.004
  -0.31250000 -0.43750000  0.06250000       0.004
  -0.18750000 -0.43750000  0.06250000       0.004
  -0.06250000 -0.43750000  0.06250000       0.004
   0.06250000 -0.31250000  0.06250000       0.004
   0.18750000 -0.31250000  0.06250000       0.004
   0.31250000 -0.31250000  0.06250000       0.004
   0.43750000 -0.31250000  0.06250000       0.004
  -0.43750000 -0.31250000  0.06250000       0.004
  -0.31250000 -0.31250000  0.06250000       0.004
  -0.18750000 -0.31250000  0.06250000       0.004
  -0.06250000 -0.31250000  0.06250000       0.004
   0.06250000 -0.18750000  0.06250000       0.004
   0.18750000 -0.18750000  0.06250000       0.004
   0.31250000 -0.18750000  0.06250000       0.004
   0.43750000 -0.18750000  0.06250000       0.004
  -0.43750000 -0.18750000  0.06250000       0.004
  -0.31250000 -0.18750000  0.06250000       0.004
  -0.18750000 -0.18750000  0.06250000       0.004
  -0.06250000 -0.18750000  0.06250000       0.004
   0.06250000 -0.06250000  0.06250000       0.004
   0.18750000 -0.06250000  0.06250000       0.004
   0.31250000 -0.06250000  0.06250000       0.004
   0.43750000 -0.06250000  0.06250000       0.004
  -0.43750000 -0.06250000  0.06250000       0.004
  -0.31250000 -0.06250000  0.06250000       0.004
  -0.18750000 -0.06250000  0.06250000       0.004
  -0.06250000 -0.06250000  0.06250000       0.004
   0.06250000  0.06250000  0.18750000       0.004
   0.18750000  0.06250000  0.18750000       0.004
   0.31250000  0.06250000  0.18750000       0.004
   0.43750000  0.06250000  0.18750000       0.004
  -0.43750000  0.06250000  0.18750000       0.004
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   0.31250000  0.18750000  0.18750000       0.004
   0.43750000  0.18750000  0.18750000       0.004
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  -0.06250000  0.18750000  0.18750000       0.004
   0.06250000  0.31250000  0.18750000       0.004
   0.18750000  0.31250000  0.18750000       0.004
   0.31250000  0.31250000  0.18750000       0.004
   0.43750000  0.31250000  0.18750000       0.004
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  -0.18750000  0.31250000  0.18750000       0.004
  -0.06250000  0.31250000  0.18750000       0.004
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   0.18750000  0.43750000  0.18750000       0.004
   0.31250000  0.43750000  0.18750000       0.004
   0.43750000  0.43750000  0.18750000       0.004
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  -0.31250000  0.43750000  0.18750000       0.004
  -0.18750000  0.43750000  0.18750000       0.004
  -0.06250000  0.43750000  0.18750000       0.004
   0.06250000 -0.43750000  0.18750000       0.004
   0.18750000 -0.43750000  0.18750000       0.004
   0.31250000 -0.43750000  0.18750000       0.004
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  -0.31250000 -0.43750000  0.18750000       0.004
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   0.18750000 -0.31250000  0.18750000       0.004
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  -0.06250000  0.18750000  0.43750000       0.004
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  -0.06250000  0.31250000  0.43750000       0.004
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  -0.18750000  0.43750000  0.43750000       0.004
  -0.06250000  0.43750000  0.43750000       0.004
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  -0.31250000 -0.43750000  0.43750000       0.004
  -0.18750000 -0.43750000  0.43750000       0.004
  -0.06250000 -0.43750000  0.43750000       0.004
   0.06250000 -0.31250000  0.43750000       0.004
   0.18750000 -0.31250000  0.43750000       0.004
   0.31250000 -0.31250000  0.43750000       0.004
   0.43750000 -0.31250000  0.43750000       0.004
  -0.43750000 -0.31250000  0.43750000       0.004
  -0.31250000 -0.31250000  0.43750000       0.004
  -0.18750000 -0.31250000  0.43750000       0.004
  -0.06250000 -0.31250000  0.43750000       0.004
   0.06250000 -0.18750000  0.43750000       0.004
   0.18750000 -0.18750000  0.43750000       0.004
   0.31250000 -0.18750000  0.43750000       0.004
   0.43750000 -0.18750000  0.43750000       0.004
  -0.43750000 -0.18750000  0.43750000       0.004
  -0.31250000 -0.18750000  0.43750000       0.004
  -0.18750000 -0.18750000  0.43750000       0.004
  -0.06250000 -0.18750000  0.43750000       0.004
   0.06250000 -0.06250000  0.43750000       0.004
   0.18750000 -0.06250000  0.43750000       0.004
   0.31250000 -0.06250000  0.43750000       0.004
   0.43750000 -0.06250000  0.43750000       0.004
  -0.43750000 -0.06250000  0.43750000       0.004
  -0.31250000 -0.06250000  0.43750000       0.004
  -0.18750000 -0.06250000  0.43750000       0.004
  -0.06250000 -0.06250000  0.43750000       0.004
 
 position of ions in fractional coordinates (direct lattice) 
   0.50000000  0.00000000  0.50000000
   0.00000000  0.50000000  0.50000000
   0.50000000  0.50000000  0.00000000
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.50000000
   0.00000000  0.00000000  0.50000000
   0.50000000  0.00000000  0.00000000
   0.00000000  0.50000000  0.00000000
 
 position of ions in cartesian coordinates  (Angst):
   2.82549969  0.00000000  2.82549969
   0.00000000  2.82549969  2.82549969
   2.82549969  2.82549969  0.00000000
   0.00000000  0.00000000  0.00000000
   2.82549969  2.82549969  2.82549969
   0.00000000  0.00000000  2.82549969
   2.82549969  0.00000000  0.00000000
   0.00000000  2.82549969  0.00000000
 


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


 k-point  1 :   0.0625 0.0625 0.0625  plane waves:    4590
 k-point  2 :   0.1875 0.0625 0.0625  plane waves:    4591
 k-point  3 :   0.3125 0.0625 0.0625  plane waves:    4599
 k-point  4 :   0.4375 0.0625 0.0625  plane waves:    4578
 k-point  5 :  -0.4375 0.0625 0.0625  plane waves:    4578
 k-point  6 :  -0.3125 0.0625 0.0625  plane waves:    4599
 k-point  7 :  -0.1875 0.0625 0.0625  plane waves:    4591
 k-point  8 :  -0.0625 0.0625 0.0625  plane waves:    4590
 k-point  9 :   0.0625 0.1875 0.0625  plane waves:    4591
 k-point 10 :   0.1875 0.1875 0.0625  plane waves:    4592
 k-point 11 :   0.3125 0.1875 0.0625  plane waves:    4588
 k-point 12 :   0.4375 0.1875 0.0625  plane waves:    4582
 k-point 13 :  -0.4375 0.1875 0.0625  plane waves:    4582
 k-point 14 :  -0.3125 0.1875 0.0625  plane waves:    4588
 k-point 15 :  -0.1875 0.1875 0.0625  plane waves:    4592
 k-point 16 :  -0.0625 0.1875 0.0625  plane waves:    4591
 k-point 17 :   0.0625 0.3125 0.0625  plane waves:    4599
 k-point 18 :   0.1875 0.3125 0.0625  plane waves:    4588
 k-point 19 :   0.3125 0.3125 0.0625  plane waves:    4578
 k-point 20 :   0.4375 0.3125 0.0625  plane waves:    4567
 k-point 21 :  -0.4375 0.3125 0.0625  plane waves:    4567
 k-point 22 :  -0.3125 0.3125 0.0625  plane waves:    4578
 k-point 23 :  -0.1875 0.3125 0.0625  plane waves:    4588
 k-point 24 :  -0.0625 0.3125 0.0625  plane waves:    4599
 k-point 25 :   0.0625 0.4375 0.0625  plane waves:    4578
 k-point 26 :   0.1875 0.4375 0.0625  plane waves:    4582
 k-point 27 :   0.3125 0.4375 0.0625  plane waves:    4567
 k-point 28 :   0.4375 0.4375 0.0625  plane waves:    4576
 k-point 29 :  -0.4375 0.4375 0.0625  plane waves:    4576
 k-point 30 :  -0.3125 0.4375 0.0625  plane waves:    4567
 k-point 31 :  -0.1875 0.4375 0.0625  plane waves:    4582
 k-point 32 :  -0.0625 0.4375 0.0625  plane waves:    4578
 k-point 33 :   0.0625-0.4375 0.0625  plane waves:    4578
 k-point 34 :   0.1875-0.4375 0.0625  plane waves:    4582
 k-point 35 :   0.3125-0.4375 0.0625  plane waves:    4567
 k-point 36 :   0.4375-0.4375 0.0625  plane waves:    4576
 k-point 37 :  -0.4375-0.4375 0.0625  plane waves:    4576
 k-point 38 :  -0.3125-0.4375 0.0625  plane waves:    4567
 k-point 39 :  -0.1875-0.4375 0.0625  plane waves:    4582
 k-point 40 :  -0.0625-0.4375 0.0625  plane waves:    4578
 k-point 41 :   0.0625-0.3125 0.0625  plane waves:    4599
 k-point 42 :   0.1875-0.3125 0.0625  plane waves:    4588
 k-point 43 :   0.3125-0.3125 0.0625  plane waves:    4578
 k-point 44 :   0.4375-0.3125 0.0625  plane waves:    4567
 k-point 45 :  -0.4375-0.3125 0.0625  plane waves:    4567
 k-point 46 :  -0.3125-0.3125 0.0625  plane waves:    4578
 k-point 47 :  -0.1875-0.3125 0.0625  plane waves:    4588
 k-point 48 :  -0.0625-0.3125 0.0625  plane waves:    4599
 k-point 49 :   0.0625-0.1875 0.0625  plane waves:    4591
 k-point 50 :   0.1875-0.1875 0.0625  plane waves:    4592
 k-point 51 :   0.3125-0.1875 0.0625  plane waves:    4588
 k-point 52 :   0.4375-0.1875 0.0625  plane waves:    4582
 k-point 53 :  -0.4375-0.1875 0.0625  plane waves:    4582
 k-point 54 :  -0.3125-0.1875 0.0625  plane waves:    4588
 k-point 55 :  -0.1875-0.1875 0.0625  plane waves:    4592
 k-point 56 :  -0.0625-0.1875 0.0625  plane waves:    4591
 k-point 57 :   0.0625-0.0625 0.0625  plane waves:    4590
 k-point 58 :   0.1875-0.0625 0.0625  plane waves:    4591
 k-point 59 :   0.3125-0.0625 0.0625  plane waves:    4599
 k-point 60 :   0.4375-0.0625 0.0625  plane waves:    4578
 k-point 61 :  -0.4375-0.0625 0.0625  plane waves:    4578
 k-point 62 :  -0.3125-0.0625 0.0625  plane waves:    4599
 k-point 63 :  -0.1875-0.0625 0.0625  plane waves:    4591
 k-point 64 :  -0.0625-0.0625 0.0625  plane waves:    4590
 k-point 65 :   0.0625 0.0625 0.1875  plane waves:    4591
 k-point 66 :   0.1875 0.0625 0.1875  plane waves:    4592
 k-point 67 :   0.3125 0.0625 0.1875  plane waves:    4588
 k-point 68 :   0.4375 0.0625 0.1875  plane waves:    4582
 k-point 69 :  -0.4375 0.0625 0.1875  plane waves:    4582
 k-point 70 :  -0.3125 0.0625 0.1875  plane waves:    4588
 k-point 71 :  -0.1875 0.0625 0.1875  plane waves:    4592
 k-point 72 :  -0.0625 0.0625 0.1875  plane waves:    4591
 k-point 73 :   0.0625 0.1875 0.1875  plane waves:    4592
 k-point 74 :   0.1875 0.1875 0.1875  plane waves:    4596
 k-point 75 :   0.3125 0.1875 0.1875  plane waves:    4563
 k-point 76 :   0.4375 0.1875 0.1875  plane waves:    4574
 k-point 77 :  -0.4375 0.1875 0.1875  plane waves:    4574
 k-point 78 :  -0.3125 0.1875 0.1875  plane waves:    4563
 k-point 79 :  -0.1875 0.1875 0.1875  plane waves:    4596
 k-point 80 :  -0.0625 0.1875 0.1875  plane waves:    4592
 k-point 81 :   0.0625 0.3125 0.1875  plane waves:    4588
 k-point 82 :   0.1875 0.3125 0.1875  plane waves:    4563
 k-point 83 :   0.3125 0.3125 0.1875  plane waves:    4576
 k-point 84 :   0.4375 0.3125 0.1875  plane waves:    4574
 k-point 85 :  -0.4375 0.3125 0.1875  plane waves:    4574
 k-point 86 :  -0.3125 0.3125 0.1875  plane waves:    4576
 k-point 87 :  -0.1875 0.3125 0.1875  plane waves:    4563
 k-point 88 :  -0.0625 0.3125 0.1875  plane waves:    4588
 k-point 89 :   0.0625 0.4375 0.1875  plane waves:    4582
 k-point 90 :   0.1875 0.4375 0.1875  plane waves:    4574
 k-point 91 :   0.3125 0.4375 0.1875  plane waves:    4574
 k-point 92 :   0.4375 0.4375 0.1875  plane waves:    4572
 k-point 93 :  -0.4375 0.4375 0.1875  plane waves:    4572
 k-point 94 :  -0.3125 0.4375 0.1875  plane waves:    4574
 k-point 95 :  -0.1875 0.4375 0.1875  plane waves:    4574
 k-point 96 :  -0.0625 0.4375 0.1875  plane waves:    4582
 k-point 97 :   0.0625-0.4375 0.1875  plane waves:    4582
 k-point 98 :   0.1875-0.4375 0.1875  plane waves:    4574
 k-point 99 :   0.3125-0.4375 0.1875  plane waves:    4574
 k-point ** :   0.4375-0.4375 0.1875  plane waves:    4572
 k-point ** :  -0.4375-0.4375 0.1875  plane waves:    4572
 k-point ** :  -0.3125-0.4375 0.1875  plane waves:    4574
 k-point ** :  -0.1875-0.4375 0.1875  plane waves:    4574
 k-point ** :  -0.0625-0.4375 0.1875  plane waves:    4582
 k-point ** :   0.0625-0.3125 0.1875  plane waves:    4588
 k-point ** :   0.1875-0.3125 0.1875  plane waves:    4563
 k-point ** :   0.3125-0.3125 0.1875  plane waves:    4576
 k-point ** :   0.4375-0.3125 0.1875  plane waves:    4574
 k-point ** :  -0.4375-0.3125 0.1875  plane waves:    4574
 k-point ** :  -0.3125-0.3125 0.1875  plane waves:    4576
 k-point ** :  -0.1875-0.3125 0.1875  plane waves:    4563
 k-point ** :  -0.0625-0.3125 0.1875  plane waves:    4588
 k-point ** :   0.0625-0.1875 0.1875  plane waves:    4592
 k-point ** :   0.1875-0.1875 0.1875  plane waves:    4596
 k-point ** :   0.3125-0.1875 0.1875  plane waves:    4563
 k-point ** :   0.4375-0.1875 0.1875  plane waves:    4574
 k-point ** :  -0.4375-0.1875 0.1875  plane waves:    4574
 k-point ** :  -0.3125-0.1875 0.1875  plane waves:    4563
 k-point ** :  -0.1875-0.1875 0.1875  plane waves:    4596
 k-point ** :  -0.0625-0.1875 0.1875  plane waves:    4592
 k-point ** :   0.0625-0.0625 0.1875  plane waves:    4591
 k-point ** :   0.1875-0.0625 0.1875  plane waves:    4592
 k-point ** :   0.3125-0.0625 0.1875  plane waves:    4588
 k-point ** :   0.4375-0.0625 0.1875  plane waves:    4582
 k-point ** :  -0.4375-0.0625 0.1875  plane waves:    4582
 k-point ** :  -0.3125-0.0625 0.1875  plane waves:    4588
 k-point ** :  -0.1875-0.0625 0.1875  plane waves:    4592
 k-point ** :  -0.0625-0.0625 0.1875  plane waves:    4591
 k-point ** :   0.0625 0.0625 0.3125  plane waves:    4599
 k-point ** :   0.1875 0.0625 0.3125  plane waves:    4588
 k-point ** :   0.3125 0.0625 0.3125  plane waves:    4578
 k-point ** :   0.4375 0.0625 0.3125  plane waves:    4567
 k-point ** :  -0.4375 0.0625 0.3125  plane waves:    4567
 k-point ** :  -0.3125 0.0625 0.3125  plane waves:    4578
 k-point ** :  -0.1875 0.0625 0.3125  plane waves:    4588
 k-point ** :  -0.0625 0.0625 0.3125  plane waves:    4599
 k-point ** :   0.0625 0.1875 0.3125  plane waves:    4588
 k-point ** :   0.1875 0.1875 0.3125  plane waves:    4563
 k-point ** :   0.3125 0.1875 0.3125  plane waves:    4576
 k-point ** :   0.4375 0.1875 0.3125  plane waves:    4574
 k-point ** :  -0.4375 0.1875 0.3125  plane waves:    4574
 k-point ** :  -0.3125 0.1875 0.3125  plane waves:    4576
 k-point ** :  -0.1875 0.1875 0.3125  plane waves:    4563
 k-point ** :  -0.0625 0.1875 0.3125  plane waves:    4588
 k-point ** :   0.0625 0.3125 0.3125  plane waves:    4578
 k-point ** :   0.1875 0.3125 0.3125  plane waves:    4576
 k-point ** :   0.3125 0.3125 0.3125  plane waves:    4572
 k-point ** :   0.4375 0.3125 0.3125  plane waves:    4579
 k-point ** :  -0.4375 0.3125 0.3125  plane waves:    4579
 k-point ** :  -0.3125 0.3125 0.3125  plane waves:    4572
 k-point ** :  -0.1875 0.3125 0.3125  plane waves:    4576
 k-point ** :  -0.0625 0.3125 0.3125  plane waves:    4578
 k-point ** :   0.0625 0.4375 0.3125  plane waves:    4567
 k-point ** :   0.1875 0.4375 0.3125  plane waves:    4574
 k-point ** :   0.3125 0.4375 0.3125  plane waves:    4579
 k-point ** :   0.4375 0.4375 0.3125  plane waves:    4591
 k-point ** :  -0.4375 0.4375 0.3125  plane waves:    4591
 k-point ** :  -0.3125 0.4375 0.3125  plane waves:    4579
 k-point ** :  -0.1875 0.4375 0.3125  plane waves:    4574
 k-point ** :  -0.0625 0.4375 0.3125  plane waves:    4567
 k-point ** :   0.0625-0.4375 0.3125  plane waves:    4567
 k-point ** :   0.1875-0.4375 0.3125  plane waves:    4574
 k-point ** :   0.3125-0.4375 0.3125  plane waves:    4579
 k-point ** :   0.4375-0.4375 0.3125  plane waves:    4591
 k-point ** :  -0.4375-0.4375 0.3125  plane waves:    4591
 k-point ** :  -0.3125-0.4375 0.3125  plane waves:    4579
 k-point ** :  -0.1875-0.4375 0.3125  plane waves:    4574
 k-point ** :  -0.0625-0.4375 0.3125  plane waves:    4567
 k-point ** :   0.0625-0.3125 0.3125  plane waves:    4578
 k-point ** :   0.1875-0.3125 0.3125  plane waves:    4576
 k-point ** :   0.3125-0.3125 0.3125  plane waves:    4572
 k-point ** :   0.4375-0.3125 0.3125  plane waves:    4579
 k-point ** :  -0.4375-0.3125 0.3125  plane waves:    4579
 k-point ** :  -0.3125-0.3125 0.3125  plane waves:    4572
 k-point ** :  -0.1875-0.3125 0.3125  plane waves:    4576
 k-point ** :  -0.0625-0.3125 0.3125  plane waves:    4578
 k-point ** :   0.0625-0.1875 0.3125  plane waves:    4588
 k-point ** :   0.1875-0.1875 0.3125  plane waves:    4563
 k-point ** :   0.3125-0.1875 0.3125  plane waves:    4576
 k-point ** :   0.4375-0.1875 0.3125  plane waves:    4574
 k-point ** :  -0.4375-0.1875 0.3125  plane waves:    4574
 k-point ** :  -0.3125-0.1875 0.3125  plane waves:    4576
 k-point ** :  -0.1875-0.1875 0.3125  plane waves:    4563
 k-point ** :  -0.0625-0.1875 0.3125  plane waves:    4588
 k-point ** :   0.0625-0.0625 0.3125  plane waves:    4599
 k-point ** :   0.1875-0.0625 0.3125  plane waves:    4588
 k-point ** :   0.3125-0.0625 0.3125  plane waves:    4578
 k-point ** :   0.4375-0.0625 0.3125  plane waves:    4567
 k-point ** :  -0.4375-0.0625 0.3125  plane waves:    4567
 k-point ** :  -0.3125-0.0625 0.3125  plane waves:    4578
 k-point ** :  -0.1875-0.0625 0.3125  plane waves:    4588
 k-point ** :  -0.0625-0.0625 0.3125  plane waves:    4599
 k-point ** :   0.0625 0.0625 0.4375  plane waves:    4578
 k-point ** :   0.1875 0.0625 0.4375  plane waves:    4582
 k-point ** :   0.3125 0.0625 0.4375  plane waves:    4567
 k-point ** :   0.4375 0.0625 0.4375  plane waves:    4576
 k-point ** :  -0.4375 0.0625 0.4375  plane waves:    4576
 k-point ** :  -0.3125 0.0625 0.4375  plane waves:    4567
 k-point ** :  -0.1875 0.0625 0.4375  plane waves:    4582
 k-point ** :  -0.0625 0.0625 0.4375  plane waves:    4578
 k-point ** :   0.0625 0.1875 0.4375  plane waves:    4582
 k-point ** :   0.1875 0.1875 0.4375  plane waves:    4574
 k-point ** :   0.3125 0.1875 0.4375  plane waves:    4574
 k-point ** :   0.4375 0.1875 0.4375  plane waves:    4572
 k-point ** :  -0.4375 0.1875 0.4375  plane waves:    4572
 k-point ** :  -0.3125 0.1875 0.4375  plane waves:    4574
 k-point ** :  -0.1875 0.1875 0.4375  plane waves:    4574
 k-point ** :  -0.0625 0.1875 0.4375  plane waves:    4582
 k-point ** :   0.0625 0.3125 0.4375  plane waves:    4567
 k-point ** :   0.1875 0.3125 0.4375  plane waves:    4574
 k-point ** :   0.3125 0.3125 0.4375  plane waves:    4579
 k-point ** :   0.4375 0.3125 0.4375  plane waves:    4591
 k-point ** :  -0.4375 0.3125 0.4375  plane waves:    4591
 k-point ** :  -0.3125 0.3125 0.4375  plane waves:    4579
 k-point ** :  -0.1875 0.3125 0.4375  plane waves:    4574
 k-point ** :  -0.0625 0.3125 0.4375  plane waves:    4567
 k-point ** :   0.0625 0.4375 0.4375  plane waves:    4576
 k-point ** :   0.1875 0.4375 0.4375  plane waves:    4572
 k-point ** :   0.3125 0.4375 0.4375  plane waves:    4591
 k-point ** :   0.4375 0.4375 0.4375  plane waves:    4605
 k-point ** :  -0.4375 0.4375 0.4375  plane waves:    4605
 k-point ** :  -0.3125 0.4375 0.4375  plane waves:    4591
 k-point ** :  -0.1875 0.4375 0.4375  plane waves:    4572
 k-point ** :  -0.0625 0.4375 0.4375  plane waves:    4576
 k-point ** :   0.0625-0.4375 0.4375  plane waves:    4576
 k-point ** :   0.1875-0.4375 0.4375  plane waves:    4572
 k-point ** :   0.3125-0.4375 0.4375  plane waves:    4591
 k-point ** :   0.4375-0.4375 0.4375  plane waves:    4605
 k-point ** :  -0.4375-0.4375 0.4375  plane waves:    4605
 k-point ** :  -0.3125-0.4375 0.4375  plane waves:    4591
 k-point ** :  -0.1875-0.4375 0.4375  plane waves:    4572
 k-point ** :  -0.0625-0.4375 0.4375  plane waves:    4576
 k-point ** :   0.0625-0.3125 0.4375  plane waves:    4567
 k-point ** :   0.1875-0.3125 0.4375  plane waves:    4574
 k-point ** :   0.3125-0.3125 0.4375  plane waves:    4579
 k-point ** :   0.4375-0.3125 0.4375  plane waves:    4591
 k-point ** :  -0.4375-0.3125 0.4375  plane waves:    4591
 k-point ** :  -0.3125-0.3125 0.4375  plane waves:    4579
 k-point ** :  -0.1875-0.3125 0.4375  plane waves:    4574
 k-point ** :  -0.0625-0.3125 0.4375  plane waves:    4567
 k-point ** :   0.0625-0.1875 0.4375  plane waves:    4582
 k-point ** :   0.1875-0.1875 0.4375  plane waves:    4574
 k-point ** :   0.3125-0.1875 0.4375  plane waves:    4574
 k-point ** :   0.4375-0.1875 0.4375  plane waves:    4572
 k-point ** :  -0.4375-0.1875 0.4375  plane waves:    4572
 k-point ** :  -0.3125-0.1875 0.4375  plane waves:    4574
 k-point ** :  -0.1875-0.1875 0.4375  plane waves:    4574
 k-point ** :  -0.0625-0.1875 0.4375  plane waves:    4582
 k-point ** :   0.0625-0.0625 0.4375  plane waves:    4578
 k-point ** :   0.1875-0.0625 0.4375  plane waves:    4582
 k-point ** :   0.3125-0.0625 0.4375  plane waves:    4567
 k-point ** :   0.4375-0.0625 0.4375  plane waves:    4576
 k-point ** :  -0.4375-0.0625 0.4375  plane waves:    4576
 k-point ** :  -0.3125-0.0625 0.4375  plane waves:    4567
 k-point ** :  -0.1875-0.0625 0.4375  plane waves:    4582
 k-point ** :  -0.0625-0.0625 0.4375  plane waves:    4578

 maximum and minimum number of plane-waves per node :      4605     4563

 maximum number of plane-waves:      4605
 maximum index in each direction: 
   IXMAX=   10   IYMAX=   10   IZMAX=   10
   IXMIN=  -10   IYMIN=  -10   IZMIN=  -10


 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   206628. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     151584. kBytes
   fftplans  :       1252. kBytes
   grid      :       4599. kBytes
   one-center:         24. kBytes
   wavefun   :      19169. kBytes
 
     INWAV:  cpu time    2.2288: real time    2.3966
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 21   NGY = 21   NGZ = 21
  (NGX  = 84   NGY  = 84   NGZ  = 84)
  gives a total of   9261 points

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


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


 Maximum index for augmentation-charges         1298 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.314
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0022: real time    0.0022


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


    POTLOK:  cpu time    0.0203: real time    0.2347
    SETDIJ:  cpu time    0.0027: real time    0.0027
     EDDAV:  cpu time    9.8573: real time   10.3826
 BZINTS: Fermi energy: -0.525618; 32.000000 electrons
         Band energy:-135.966831;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0101: real time    0.0103
    CHARGE:  cpu time    0.5845: real time    0.5845
    MIXING:  cpu time    0.0011: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time   10.4759: real time   11.2161

 eigenvalue-minimisations  : 12288
 total energy-change (2. order) :-0.2725887E+02  (-0.3160427E-06)
 number of electron      32.0000004 magnetization 
 augmentation part       -3.7390187 magnetization 

 Broyden mixing:
  rms(total) = 0.31361E-03    rms(broyden)= 0.31361E-03
  rms(prec ) = 0.46326E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         8.40908945
  Ewald energy   TEWEN  =     -1246.05884360
  -Hartree energ DENC   =      -399.91761600
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -61.91033970
  PAW double counting   =      2005.79363993    -1857.13178491
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -135.96683120
  atomic energy  EATOM  =      1659.52381812
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -27.25886791 eV

  energy without entropy =      -27.25886791  energy(sigma->0) =      -27.25886791


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




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


    POTLOK:  cpu time    0.0180: real time    0.0452
    SETDIJ:  cpu time    0.0034: real time    0.0034
     EDDAV:  cpu time    6.7105: real time    6.7156
 BZINTS: Fermi energy: -0.542765; 32.000000 electrons
         Band energy:-135.974793;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0097: real time    0.0097
    CHARGE:  cpu time    0.5837: real time    0.5839
    MIXING:  cpu time    0.0011: real time    0.0059
    --------------------------------------------
      LOOP:  cpu time    7.3265: real time    7.3638

 eigenvalue-minimisations  : 13320
 total energy-change (2. order) : 0.4454416E-06  (-0.4751601E-07)
 number of electron      32.0000004 magnetization 
 augmentation part       -3.7390563 magnetization 

 Broyden mixing:
  rms(total) = 0.90692E-04    rms(broyden)= 0.90692E-04
  rms(prec ) = 0.13776E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3984
  1.3984

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         8.40908945
  Ewald energy   TEWEN  =     -1246.05884360
  -Hartree energ DENC   =      -399.90930831
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -61.91089653
  PAW double counting   =      2005.86506923    -1857.20300287
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -135.97479294
  atomic energy  EATOM  =      1659.52381812
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -27.25886747 eV

  energy without entropy =      -27.25886747  energy(sigma->0) =      -27.25886747


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




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


    POTLOK:  cpu time    0.0177: real time    0.0186
    SETDIJ:  cpu time    0.0024: real time    0.0024
     EDDAV:  cpu time   11.2260: real time   11.2491
 BZINTS: Fermi energy: -0.528110; 32.000000 electrons
         Band energy:-135.978237;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0082: real time    0.0082
    CHARGE:  cpu time    0.5848: real time    0.5852
    MIXING:  cpu time    0.0007: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time   11.8398: real time   11.8643

 eigenvalue-minimisations  : 22752
 total energy-change (2. order) : 0.1166566E-06  (-0.9825259E-08)
 number of electron      32.0000004 magnetization 
 augmentation part       -3.7390764 magnetization 

 Broyden mixing:
  rms(total) = 0.21234E-04    rms(broyden)= 0.21233E-04
  rms(prec ) = 0.22924E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0373
  1.2522  0.8223

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         8.40908945
  Ewald energy   TEWEN  =     -1246.05884360
  -Hartree energ DENC   =      -399.90568394
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -61.91114206
  PAW double counting   =      2005.89524798    -1857.23311621
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -135.97823708
  atomic energy  EATOM  =      1659.52381812
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -27.25886735 eV

  energy without entropy =      -27.25886735  energy(sigma->0) =      -27.25886735


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




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


    POTLOK:  cpu time    0.0173: real time    0.0216
    SETDIJ:  cpu time    0.0024: real time    0.0024
     EDDAV:  cpu time    8.1859: real time    8.1938
 BZINTS: Fermi energy: -0.528133; 32.000000 electrons
         Band energy:-135.978108;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0081: real time    0.0081
    --------------------------------------------
      LOOP:  cpu time    8.2138: real time    8.2260

 eigenvalue-minimisations  : 16464
 total energy-change (2. order) :-0.1636295E-07  (-0.4066837E-10)
 number of electron      32.0000004 magnetization 
 augmentation part       -3.7390764 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         8.40908945
  Ewald energy   TEWEN  =     -1246.05884360
  -Hartree energ DENC   =      -399.90580621
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -61.91113810
  PAW double counting   =      2005.89073611    -1857.22861487
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -135.97810825
  atomic energy  EATOM  =      1659.52381812
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -27.25886737 eV

  energy without entropy =      -27.25886737  energy(sigma->0) =      -27.25886737


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




 average (electrostatic) potential at core
  the test charge radii are     1.1212  0.9406
  (the norm of the test charge is              1.0000)
       1 -41.0893       2 -41.0893       3 -41.0893       4 -41.0893       5 -93.3556
       6 -93.3556       7 -93.3556       8 -93.3556
 
 
 
 E-fermi :  -0.5281     XC(G=0):  -7.9430     alpha+bet : -8.2448


 k-point     1 :       0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1918      2.00000
      2     -12.8272      2.00000
      3     -12.8272      2.00000
      4     -12.8272      2.00000
      5      -2.2012      2.00000
      6      -2.2012      2.00000
      7      -2.2012      2.00000
      8      -1.1957      2.00000
      9      -1.1957      2.00000
     10      -1.1957      2.00000
     11      -1.1461      2.00000
     12      -1.1461      2.00000
     13      -1.1461      2.00000
     14      -0.6610      2.00000
     15      -0.5709      2.00000
     16      -0.5709      2.00000
     17       4.6473      0.00000
     18       7.0215      0.00000
     19       7.0215      0.00000
     20       7.0215      0.00000
     21       7.6036      0.00000
     22       7.6036      0.00000
     23       7.6048      0.00000
     24      10.5626      0.00000

 k-point     2 :       0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1059      0.00000
     19       7.2710      0.00000
     20       7.2710      0.00000
     21       7.7670      0.00000
     22       7.8510      0.00000
     23       7.8522      0.00000
     24      10.2105      0.00000

 k-point     3 :       0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7149      0.00000
     20       7.7155      0.00000
     21       8.0021      0.00000
     22       8.2854      0.00000
     23       8.2870      0.00000
     24       9.7715      0.00000

 k-point     4 :       0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1806      0.00000
     21       8.4253      0.00000
     22       8.7856      0.00000
     23       8.8138      0.00000
     24       9.0153      0.00000

 k-point     5 :      -0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1798      0.00000
     20       8.1800      0.00000
     21       8.4606      0.00000
     22       8.7856      0.00000
     23       8.7880      0.00000
     24       9.0013      0.00000

 k-point     6 :      -0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7148      0.00000
     21       7.9949      0.00000
     22       8.2853      0.00000
     23       8.2875      0.00000
     24       9.4811      0.00000

 k-point     7 :      -0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2710      0.00000
     21       7.7341      0.00000
     22       7.8511      0.00000
     23       7.8515      0.00000
     24      10.1948      0.00000

 k-point     8 :      -0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1918      2.00000
      2     -12.8272      2.00000
      3     -12.8272      2.00000
      4     -12.8272      2.00000
      5      -2.2012      2.00000
      6      -2.2012      2.00000
      7      -2.2012      2.00000
      8      -1.1957      2.00000
      9      -1.1957      2.00000
     10      -1.1957      2.00000
     11      -1.1461      2.00000
     12      -1.1461      2.00000
     13      -1.1461      2.00000
     14      -0.6610      2.00000
     15      -0.5709      2.00000
     16      -0.5709      2.00000
     17       4.6473      0.00000
     18       7.0215      0.00000
     19       7.0215      0.00000
     20       7.0216      0.00000
     21       7.6036      0.00000
     22       7.6038      0.00000
     23       7.6087      0.00000
     24      10.5625      0.00000

 k-point     9 :       0.0625    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1060      0.00000
     19       7.2710      0.00000
     20       7.2712      0.00000
     21       7.7478      0.00000
     22       7.8511      0.00000
     23       7.8526      0.00000
     24      10.1947      0.00000

 k-point    10 :       0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3506      0.00000
     20       7.4157      0.00000
     21       7.9702      0.00000
     22       7.9708      0.00000
     23       8.1183      0.00000
     24       9.8955      0.00000

 k-point    11 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3295      0.00000
     19       7.7443      0.00000
     20       7.7915      0.00000
     21       8.2023      0.00000
     22       8.3809      0.00000
     23       8.4836      0.00000
     24       9.4677      0.00000

 k-point    12 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2295      0.00000
     20       8.3079      0.00000
     21       8.5465      0.00000
     22       8.6513      0.00000
     23       8.7160      0.00000
     24       9.0161      0.00000

 k-point    13 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3772      0.00000
     18       6.9728      0.00000
     19       8.2295      0.00000
     20       8.3058      0.00000
     21       8.6204      0.00000
     22       8.6672      0.00000
     23       8.7145      0.00000
     24       9.0080      0.00000

 k-point    14 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7444      0.00000
     20       7.7918      0.00000
     21       8.2047      0.00000
     22       8.3817      0.00000
     23       8.4838      0.00000
     24       9.5054      0.00000

 k-point    15 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3506      0.00000
     20       7.4155      0.00000
     21       7.9706      0.00000
     22       7.9707      0.00000
     23       8.1177      0.00000
     24       9.9572      0.00000

 k-point    16 :      -0.0625    0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1059      0.00000
     19       7.2711      0.00000
     20       7.2712      0.00000
     21       7.7364      0.00000
     22       7.8516      0.00000
     23       7.8538      0.00000
     24      10.2059      0.00000

 k-point    17 :       0.0625    0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7151      0.00000
     21       8.0198      0.00000
     22       8.2853      0.00000
     23       8.2896      0.00000
     24       9.7231      0.00000

 k-point    18 :       0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7443      0.00000
     20       7.7918      0.00000
     21       8.2065      0.00000
     22       8.3814      0.00000
     23       8.4838      0.00000
     24       9.5020      0.00000

 k-point    19 :       0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7065      0.00000
     20       7.8910      0.00000
     21       8.5676      0.00000
     22       8.5699      0.00000
     23       8.6958      0.00000
     24       9.2930      0.00000

 k-point    20 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1194      0.00000
     21       8.7724      0.00000
     22       8.8073      0.00000
     23       8.8515      0.00000
     24       9.0685      0.00000

 k-point    21 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0843      0.00000
     20       8.1152      0.00000
     21       8.7665      0.00000
     22       8.8220      0.00000
     23       8.8651      0.00000
     24       9.1446      0.00000

 k-point    22 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7063      0.00000
     20       7.8913      0.00000
     21       8.5680      0.00000
     22       8.5710      0.00000
     23       8.6958      0.00000
     24       9.3035      0.00000

 k-point    23 :      -0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7447      0.00000
     20       7.7916      0.00000
     21       8.2093      0.00000
     22       8.3811      0.00000
     23       8.4840      0.00000
     24       9.5032      0.00000

 k-point    24 :      -0.0625    0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7147      0.00000
     21       7.9924      0.00000
     22       8.2853      0.00000
     23       8.2857      0.00000
     24       9.4369      0.00000

 k-point    25 :       0.0625    0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1799      0.00000
     21       8.5133      0.00000
     22       8.7850      0.00000
     23       8.7981      0.00000
     24       9.0836      0.00000

 k-point    26 :       0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2323      0.00000
     20       8.3067      0.00000
     21       8.5368      0.00000
     22       8.6559      0.00000
     23       8.7168      0.00000
     24       9.1240      0.00000

 k-point    27 :       0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1164      0.00000
     21       8.7671      0.00000
     22       8.8042      0.00000
     23       8.8786      0.00000
     24       9.0731      0.00000

 k-point    28 :       0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6005      0.00000
     19       7.6007      0.00000
     20       7.8871      0.00000
     21       9.0599      0.00000
     22       9.0866      0.00000
     23       9.1007      0.00000
     24       9.1691      0.00000

 k-point    29 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6005      0.00000
     19       7.6006      0.00000
     20       7.8881      0.00000
     21       9.0817      0.00000
     22       9.0834      0.00000
     23       9.1080      0.00000
     24       9.1132      0.00000

 k-point    30 :      -0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1155      0.00000
     21       8.7642      0.00000
     22       8.8410      0.00000
     23       8.9378      0.00000
     24       9.1474      0.00000

 k-point    31 :      -0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2282      0.00000
     20       8.3057      0.00000
     21       8.5431      0.00000
     22       8.6514      0.00000
     23       8.7153      0.00000
     24       9.0884      0.00000

 k-point    32 :      -0.0625    0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1798      0.00000
     21       8.3834      0.00000
     22       8.7850      0.00000
     23       8.7897      0.00000
     24       9.3561      0.00000

 k-point    33 :       0.0625   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1798      0.00000
     20       8.1802      0.00000
     21       8.3932      0.00000
     22       8.7852      0.00000
     23       8.7969      0.00000
     24       9.3084      0.00000

 k-point    34 :       0.1875   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2304      0.00000
     20       8.3061      0.00000
     21       8.6328      0.00000
     22       8.6582      0.00000
     23       8.7227      0.00000
     24       9.1239      0.00000

 k-point    35 :       0.3125   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1154      0.00000
     21       8.7634      0.00000
     22       8.8088      0.00000
     23       8.8716      0.00000
     24       9.1344      0.00000

 k-point    36 :       0.4375   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6005      0.00000
     19       7.6006      0.00000
     20       7.8870      0.00000
     21       9.0617      0.00000
     22       9.0844      0.00000
     23       9.1008      0.00000
     24       9.1418      0.00000

 k-point    37 :      -0.4375   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6004      0.00000
     19       7.6006      0.00000
     20       7.8879      0.00000
     21       9.0650      0.00000
     22       9.0847      0.00000
     23       9.1101      0.00000
     24       9.1785      0.00000

 k-point    38 :      -0.3125   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1169      0.00000
     21       8.7631      0.00000
     22       8.8057      0.00000
     23       8.8598      0.00000
     24       9.0658      0.00000

 k-point    39 :      -0.1875   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2277      0.00000
     20       8.3058      0.00000
     21       8.5437      0.00000
     22       8.6515      0.00000
     23       8.7136      0.00000
     24       9.0830      0.00000

 k-point    40 :      -0.0625   -0.4375    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1801      0.00000
     21       8.3840      0.00000
     22       8.7882      0.00000
     23       8.7893      0.00000
     24       9.0196      0.00000

 k-point    41 :       0.0625   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7148      0.00000
     21       7.9923      0.00000
     22       8.2853      0.00000
     23       8.2857      0.00000
     24       9.4498      0.00000

 k-point    42 :       0.1875   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7444      0.00000
     20       7.7917      0.00000
     21       8.2099      0.00000
     22       8.3835      0.00000
     23       8.4836      0.00000
     24       9.4944      0.00000

 k-point    43 :       0.3125   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7064      0.00000
     20       7.8922      0.00000
     21       8.5678      0.00000
     22       8.5707      0.00000
     23       8.6959      0.00000
     24       9.2936      0.00000

 k-point    44 :       0.4375   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0843      0.00000
     20       8.1181      0.00000
     21       8.7714      0.00000
     22       8.8095      0.00000
     23       8.8540      0.00000
     24       9.0661      0.00000

 k-point    45 :      -0.4375   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0846      0.00000
     20       8.1157      0.00000
     21       8.7666      0.00000
     22       8.8166      0.00000
     23       8.8852      0.00000
     24       9.0659      0.00000

 k-point    46 :      -0.3125   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7063      0.00000
     19       7.7064      0.00000
     20       7.8910      0.00000
     21       8.5676      0.00000
     22       8.5742      0.00000
     23       8.6956      0.00000
     24       9.2952      0.00000

 k-point    47 :      -0.1875   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7449      0.00000
     20       7.7915      0.00000
     21       8.2096      0.00000
     22       8.3810      0.00000
     23       8.4840      0.00000
     24       9.5030      0.00000

 k-point    48 :      -0.0625   -0.3125    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7147      0.00000
     21       7.9921      0.00000
     22       8.2853      0.00000
     23       8.2856      0.00000
     24       9.6744      0.00000

 k-point    49 :       0.0625   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2711      0.00000
     21       7.7347      0.00000
     22       7.8512      0.00000
     23       7.8520      0.00000
     24      10.2069      0.00000

 k-point    50 :       0.1875   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3506      0.00000
     20       7.4155      0.00000
     21       7.9702      0.00000
     22       7.9708      0.00000
     23       8.1176      0.00000
     24       9.9180      0.00000

 k-point    51 :       0.3125   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7450      0.00000
     20       7.7916      0.00000
     21       8.2149      0.00000
     22       8.3831      0.00000
     23       8.4862      0.00000
     24       9.4970      0.00000

 k-point    52 :       0.4375   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2282      0.00000
     20       8.3059      0.00000
     21       8.5415      0.00000
     22       8.6515      0.00000
     23       8.7133      0.00000
     24       9.0728      0.00000

 k-point    53 :      -0.4375   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3772      0.00000
     18       6.9728      0.00000
     19       8.2324      0.00000
     20       8.3067      0.00000
     21       8.5540      0.00000
     22       8.6544      0.00000
     23       8.7139      0.00000
     24       9.0980      0.00000

 k-point    54 :      -0.3125   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7449      0.00000
     20       7.7917      0.00000
     21       8.2028      0.00000
     22       8.3812      0.00000
     23       8.4839      0.00000
     24       9.5029      0.00000

 k-point    55 :      -0.1875   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3507      0.00000
     20       7.4156      0.00000
     21       7.9703      0.00000
     22       7.9722      0.00000
     23       8.1175      0.00000
     24       9.8517      0.00000

 k-point    56 :      -0.0625   -0.1875    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2710      0.00000
     21       7.7346      0.00000
     22       7.8510      0.00000
     23       7.8512      0.00000
     24      10.2346      0.00000

 k-point    57 :       0.0625   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1918      2.00000
      2     -12.8272      2.00000
      3     -12.8272      2.00000
      4     -12.8272      2.00000
      5      -2.2012      2.00000
      6      -2.2012      2.00000
      7      -2.2012      2.00000
      8      -1.1957      2.00000
      9      -1.1957      2.00000
     10      -1.1957      2.00000
     11      -1.1461      2.00000
     12      -1.1461      2.00000
     13      -1.1461      2.00000
     14      -0.6610      2.00000
     15      -0.5709      2.00000
     16      -0.5709      2.00000
     17       4.6473      0.00000
     18       7.0215      0.00000
     19       7.0215      0.00000
     20       7.0216      0.00000
     21       7.6036      0.00000
     22       7.6045      0.00000
     23       7.6108      0.00000
     24      10.5627      0.00000

 k-point    58 :       0.1875   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2710      0.00000
     21       7.7340      0.00000
     22       7.8510      0.00000
     23       7.8527      0.00000
     24      10.2206      0.00000

 k-point    59 :       0.3125   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7151      0.00000
     21       7.9998      0.00000
     22       8.2855      0.00000
     23       8.2869      0.00000
     24       9.8718      0.00000

 k-point    60 :       0.4375   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1797      0.00000
     20       8.1803      0.00000
     21       8.5058      0.00000
     22       8.7853      0.00000
     23       8.7903      0.00000
     24       8.9583      0.00000

 k-point    61 :      -0.4375   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1797      0.00000
     20       8.1798      0.00000
     21       8.4235      0.00000
     22       8.7850      0.00000
     23       8.7950      0.00000
     24       8.9824      0.00000

 k-point    62 :      -0.3125   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7147      0.00000
     21       7.9939      0.00000
     22       8.2852      0.00000
     23       8.2853      0.00000
     24       9.5578      0.00000

 k-point    63 :      -0.1875   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2711      0.00000
     21       7.7341      0.00000
     22       7.8511      0.00000
     23       7.8531      0.00000
     24      10.2323      0.00000

 k-point    64 :      -0.0625   -0.0625    0.0625
  band No.  band energies     occupation 
      1     -13.1918      2.00000
      2     -12.8272      2.00000
      3     -12.8272      2.00000
      4     -12.8272      2.00000
      5      -2.2012      2.00000
      6      -2.2012      2.00000
      7      -2.2012      2.00000
      8      -1.1957      2.00000
      9      -1.1957      2.00000
     10      -1.1957      2.00000
     11      -1.1461      2.00000
     12      -1.1461      2.00000
     13      -1.1461      2.00000
     14      -0.6610      2.00000
     15      -0.5709      2.00000
     16      -0.5709      2.00000
     17       4.6473      0.00000
     18       7.0215      0.00000
     19       7.0215      0.00000
     20       7.0216      0.00000
     21       7.6036      0.00000
     22       7.6041      0.00000
     23       7.6067      0.00000
     24      10.5624      0.00000

 k-point    65 :       0.0625    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1059      0.00000
     19       7.2710      0.00000
     20       7.2711      0.00000
     21       7.7342      0.00000
     22       7.8512      0.00000
     23       7.8515      0.00000
     24      10.0637      0.00000

 k-point    66 :       0.1875    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3506      0.00000
     20       7.4155      0.00000
     21       7.9703      0.00000
     22       7.9709      0.00000
     23       8.1178      0.00000
     24       9.8839      0.00000

 k-point    67 :       0.3125    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7527      0.00000
     20       7.7916      0.00000
     21       8.2138      0.00000
     22       8.3889      0.00000
     23       8.4937      0.00000
     24       9.4945      0.00000

 k-point    68 :       0.4375    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2338      0.00000
     20       8.3088      0.00000
     21       8.5827      0.00000
     22       8.6708      0.00000
     23       8.7340      0.00000
     24       9.0694      0.00000

 k-point    69 :      -0.4375    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2277      0.00000
     20       8.3060      0.00000
     21       8.5405      0.00000
     22       8.6512      0.00000
     23       8.7135      0.00000
     24       9.0546      0.00000

 k-point    70 :      -0.3125    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7447      0.00000
     20       7.7916      0.00000
     21       8.2061      0.00000
     22       8.3828      0.00000
     23       8.4843      0.00000
     24       9.4944      0.00000

 k-point    71 :      -0.1875    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3507      0.00000
     19       7.3508      0.00000
     20       7.4157      0.00000
     21       7.9706      0.00000
     22       7.9717      0.00000
     23       8.1183      0.00000
     24       9.9527      0.00000

 k-point    72 :      -0.0625    0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2710      0.00000
     21       7.7344      0.00000
     22       7.8511      0.00000
     23       7.8511      0.00000
     24      10.1512      0.00000

 k-point    73 :       0.0625    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3507      0.00000
     19       7.3509      0.00000
     20       7.4164      0.00000
     21       7.9703      0.00000
     22       7.9747      0.00000
     23       8.1191      0.00000
     24       9.9400      0.00000

 k-point    74 :       0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1129      2.00000
      2     -12.8481      2.00000
      3     -12.8481      2.00000
      4     -12.8481      2.00000
      5      -2.0885      2.00000
      6      -2.0885      2.00000
      7      -2.0885      2.00000
      8      -1.3586      2.00000
      9      -1.3586      2.00000
     10      -1.3586      2.00000
     11      -1.2776      2.00000
     12      -1.0582      2.00000
     13      -1.0582      2.00000
     14      -1.0582      2.00000
     15      -0.6431      2.00000
     16      -0.6431      2.00000
     17       5.4914      0.00000
     18       7.4687      0.00000
     19       7.4688      0.00000
     20       7.4689      0.00000
     21       8.2357      0.00000
     22       8.2359      0.00000
     23       8.2365      0.00000
     24       9.7232      0.00000

 k-point    75 :       0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7404      0.00000
     20       7.7409      0.00000
     21       8.4607      0.00000
     22       8.5852      0.00000
     23       8.5854      0.00000
     24       9.4607      0.00000

 k-point    76 :       0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0928      0.00000
     20       8.0930      0.00000
     21       8.6739      0.00000
     22       8.6754      0.00000
     23       8.7465      0.00000
     24       9.0910      0.00000

 k-point    77 :      -0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0185      0.00000
     19       8.0930      0.00000
     20       8.0935      0.00000
     21       8.6755      0.00000
     22       8.6774      0.00000
     23       8.7495      0.00000
     24       9.0689      0.00000

 k-point    78 :      -0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7402      0.00000
     20       7.7408      0.00000
     21       8.4615      0.00000
     22       8.5851      0.00000
     23       8.5855      0.00000
     24       9.4252      0.00000

 k-point    79 :      -0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1129      2.00000
      2     -12.8481      2.00000
      3     -12.8481      2.00000
      4     -12.8481      2.00000
      5      -2.0885      2.00000
      6      -2.0885      2.00000
      7      -2.0885      2.00000
      8      -1.3586      2.00000
      9      -1.3586      2.00000
     10      -1.3586      2.00000
     11      -1.2776      2.00000
     12      -1.0582      2.00000
     13      -1.0582      2.00000
     14      -1.0582      2.00000
     15      -0.6431      2.00000
     16      -0.6431      2.00000
     17       5.4914      0.00000
     18       7.4687      0.00000
     19       7.4687      0.00000
     20       7.4688      0.00000
     21       8.2357      0.00000
     22       8.2358      0.00000
     23       8.2363      0.00000
     24       9.6743      0.00000

 k-point    80 :      -0.0625    0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3507      0.00000
     20       7.4156      0.00000
     21       7.9705      0.00000
     22       7.9711      0.00000
     23       8.1177      0.00000
     24       9.9530      0.00000

 k-point    81 :       0.0625    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7452      0.00000
     20       7.7918      0.00000
     21       8.2026      0.00000
     22       8.3827      0.00000
     23       8.4838      0.00000
     24       9.5099      0.00000

 k-point    82 :       0.1875    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3954      0.00000
     19       7.7403      0.00000
     20       7.7410      0.00000
     21       8.4606      0.00000
     22       8.5852      0.00000
     23       8.5854      0.00000
     24       9.4008      0.00000

 k-point    83 :       0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7473      0.00000
     21       8.7981      0.00000
     22       8.8205      0.00000
     23       8.8208      0.00000
     24       9.3532      0.00000

 k-point    84 :       0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9296      0.00000
     22       8.9961      0.00000
     23       9.0660      0.00000
     24       9.2345      0.00000

 k-point    85 :      -0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9261      0.00000
     22       9.0039      0.00000
     23       9.0686      0.00000
     24       9.2512      0.00000

 k-point    86 :      -0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7471      0.00000
     21       8.7972      0.00000
     22       8.8205      0.00000
     23       8.8209      0.00000
     24       9.3614      0.00000

 k-point    87 :      -0.1875    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7404      0.00000
     20       7.7406      0.00000
     21       8.4616      0.00000
     22       8.5852      0.00000
     23       8.5857      0.00000
     24       9.4245      0.00000

 k-point    88 :      -0.0625    0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3295      0.00000
     19       7.7444      0.00000
     20       7.7916      0.00000
     21       8.2037      0.00000
     22       8.3813      0.00000
     23       8.4838      0.00000
     24       9.5095      0.00000

 k-point    89 :       0.0625    0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2304      0.00000
     20       8.3066      0.00000
     21       8.5457      0.00000
     22       8.6515      0.00000
     23       8.7174      0.00000
     24       9.0628      0.00000

 k-point    90 :       0.1875    0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0932      0.00000
     20       8.0937      0.00000
     21       8.6754      0.00000
     22       8.6774      0.00000
     23       8.7468      0.00000
     24       9.0687      0.00000

 k-point    91 :       0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7733      0.00000
     21       8.9316      0.00000
     22       8.9951      0.00000
     23       9.0665      0.00000
     24       9.2410      0.00000

 k-point    92 :       0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2723      0.00000
     22       9.3341      0.00000
     23       9.3359      0.00000
     24       9.3615      0.00000

 k-point    93 :      -0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2738      0.00000
     22       9.3343      0.00000
     23       9.3375      0.00000
     24       9.3609      0.00000

 k-point    94 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7733      0.00000
     21       8.9328      0.00000
     22       9.0007      0.00000
     23       9.0696      0.00000
     24       9.2402      0.00000

 k-point    95 :      -0.1875    0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0930      0.00000
     20       8.0933      0.00000
     21       8.6744      0.00000
     22       8.6771      0.00000
     23       8.7456      0.00000
     24       9.0859      0.00000

 k-point    96 :      -0.0625    0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2290      0.00000
     20       8.3060      0.00000
     21       8.5678      0.00000
     22       8.6516      0.00000
     23       8.7142      0.00000
     24       9.0006      0.00000

 k-point    97 :       0.0625   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2299      0.00000
     20       8.3068      0.00000
     21       8.5930      0.00000
     22       8.6527      0.00000
     23       8.7135      0.00000
     24       9.0408      0.00000

 k-point    98 :       0.1875   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0185      0.00000
     19       8.0930      0.00000
     20       8.0935      0.00000
     21       8.6756      0.00000
     22       8.6792      0.00000
     23       8.7467      0.00000
     24       9.0830      0.00000

 k-point    99 :       0.3125   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7736      0.00000
     21       8.9378      0.00000
     22       9.0048      0.00000
     23       9.0661      0.00000
     24       9.2430      0.00000

 k-point   100 :       0.4375   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2488      0.00000
     22       9.3331      0.00000
     23       9.3385      0.00000
     24       9.3669      0.00000

 k-point   101 :      -0.4375   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2538      0.00000
     22       9.3359      0.00000
     23       9.3515      0.00000
     24       9.3687      0.00000

 k-point   102 :      -0.3125   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7734      0.00000
     21       8.9316      0.00000
     22       9.0119      0.00000
     23       9.0768      0.00000
     24       9.2407      0.00000

 k-point   103 :      -0.1875   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0928      0.00000
     20       8.0932      0.00000
     21       8.6737      0.00000
     22       8.6776      0.00000
     23       8.7451      0.00000
     24       9.0749      0.00000

 k-point   104 :      -0.0625   -0.4375    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2280      0.00000
     20       8.3059      0.00000
     21       8.5463      0.00000
     22       8.6527      0.00000
     23       8.7140      0.00000
     24       9.0819      0.00000

 k-point   105 :       0.0625   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7446      0.00000
     20       7.7917      0.00000
     21       8.2037      0.00000
     22       8.3818      0.00000
     23       8.4838      0.00000
     24       9.5003      0.00000

 k-point   106 :       0.1875   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3961      0.00000
     19       7.7411      0.00000
     20       7.7428      0.00000
     21       8.4654      0.00000
     22       8.5855      0.00000
     23       8.5883      0.00000
     24       9.5622      0.00000

 k-point   107 :       0.3125   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7471      0.00000
     21       8.7984      0.00000
     22       8.8205      0.00000
     23       8.8212      0.00000
     24       9.4794      0.00000

 k-point   108 :       0.4375   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1247      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9385      0.00000
     22       9.0008      0.00000
     23       9.0695      0.00000
     24       9.2389      0.00000

 k-point   109 :      -0.4375   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9254      0.00000
     22       8.9991      0.00000
     23       9.0748      0.00000
     24       9.2592      0.00000

 k-point   110 :      -0.3125   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7472      0.00000
     21       8.7977      0.00000
     22       8.8205      0.00000
     23       8.8209      0.00000
     24       9.3546      0.00000

 k-point   111 :      -0.1875   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7402      0.00000
     20       7.7405      0.00000
     21       8.4616      0.00000
     22       8.5852      0.00000
     23       8.5854      0.00000
     24       9.4747      0.00000

 k-point   112 :      -0.0625   -0.3125    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7444      0.00000
     20       7.7917      0.00000
     21       8.2065      0.00000
     22       8.3813      0.00000
     23       8.4838      0.00000
     24       9.4958      0.00000

 k-point   113 :       0.0625   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3507      0.00000
     20       7.4162      0.00000
     21       7.9706      0.00000
     22       7.9714      0.00000
     23       8.1188      0.00000
     24       9.9538      0.00000

 k-point   114 :       0.1875   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1129      2.00000
      2     -12.8481      2.00000
      3     -12.8481      2.00000
      4     -12.8481      2.00000
      5      -2.0885      2.00000
      6      -2.0885      2.00000
      7      -2.0885      2.00000
      8      -1.3586      2.00000
      9      -1.3586      2.00000
     10      -1.3586      2.00000
     11      -1.2776      2.00000
     12      -1.0582      2.00000
     13      -1.0582      2.00000
     14      -1.0582      2.00000
     15      -0.6431      2.00000
     16      -0.6431      2.00000
     17       5.4914      0.00000
     18       7.4687      0.00000
     19       7.4688      0.00000
     20       7.4688      0.00000
     21       8.2358      0.00000
     22       8.2360      0.00000
     23       8.2371      0.00000
     24       9.7500      0.00000

 k-point   115 :       0.3125   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7403      0.00000
     20       7.7406      0.00000
     21       8.4606      0.00000
     22       8.5852      0.00000
     23       8.5856      0.00000
     24       9.4237      0.00000

 k-point   116 :       0.4375   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0928      0.00000
     20       8.0933      0.00000
     21       8.6736      0.00000
     22       8.6772      0.00000
     23       8.7457      0.00000
     24       9.0747      0.00000

 k-point   117 :      -0.4375   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0928      0.00000
     20       8.0936      0.00000
     21       8.6740      0.00000
     22       8.6778      0.00000
     23       8.7463      0.00000
     24       9.2567      0.00000

 k-point   118 :      -0.3125   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7402      0.00000
     20       7.7403      0.00000
     21       8.4603      0.00000
     22       8.5851      0.00000
     23       8.5853      0.00000
     24       9.4194      0.00000

 k-point   119 :      -0.1875   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1129      2.00000
      2     -12.8481      2.00000
      3     -12.8481      2.00000
      4     -12.8481      2.00000
      5      -2.0885      2.00000
      6      -2.0885      2.00000
      7      -2.0885      2.00000
      8      -1.3586      2.00000
      9      -1.3586      2.00000
     10      -1.3586      2.00000
     11      -1.2776      2.00000
     12      -1.0582      2.00000
     13      -1.0582      2.00000
     14      -1.0582      2.00000
     15      -0.6431      2.00000
     16      -0.6431      2.00000
     17       5.4914      0.00000
     18       7.4687      0.00000
     19       7.4687      0.00000
     20       7.4690      0.00000
     21       8.2357      0.00000
     22       8.2357      0.00000
     23       8.2372      0.00000
     24       9.7546      0.00000

 k-point   120 :      -0.0625   -0.1875    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3507      0.00000
     20       7.4156      0.00000
     21       7.9704      0.00000
     22       7.9706      0.00000
     23       8.1177      0.00000
     24       9.9488      0.00000

 k-point   121 :       0.0625   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1059      0.00000
     19       7.2711      0.00000
     20       7.2712      0.00000
     21       7.7351      0.00000
     22       7.8512      0.00000
     23       7.8549      0.00000
     24      10.0713      0.00000

 k-point   122 :       0.1875   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3509      0.00000
     20       7.4155      0.00000
     21       7.9703      0.00000
     22       7.9778      0.00000
     23       8.1181      0.00000
     24       9.9340      0.00000

 k-point   123 :       0.3125   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7447      0.00000
     20       7.7918      0.00000
     21       8.2046      0.00000
     22       8.3838      0.00000
     23       8.4858      0.00000
     24       9.4952      0.00000

 k-point   124 :       0.4375   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2286      0.00000
     20       8.3076      0.00000
     21       8.6047      0.00000
     22       8.6548      0.00000
     23       8.7174      0.00000
     24       9.1274      0.00000

 k-point   125 :      -0.4375   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2331      0.00000
     20       8.3064      0.00000
     21       8.6019      0.00000
     22       8.6608      0.00000
     23       8.7163      0.00000
     24       9.0936      0.00000

 k-point   126 :      -0.3125   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7447      0.00000
     20       7.7915      0.00000
     21       8.2033      0.00000
     22       8.3827      0.00000
     23       8.4838      0.00000
     24       9.4764      0.00000

 k-point   127 :      -0.1875   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1375      2.00000
      2     -12.8502      2.00000
      3     -12.8502      2.00000
      4     -12.8252      2.00000
      5      -2.1009      2.00000
      6      -2.1009      2.00000
      7      -2.0814      2.00000
      8      -1.4718      2.00000
      9      -1.2493      2.00000
     10      -1.2493      2.00000
     11      -1.1131      2.00000
     12      -1.1131      2.00000
     13      -1.0925      2.00000
     14      -1.0763      2.00000
     15      -0.6683      2.00000
     16      -0.6024      2.00000
     17       5.2584      0.00000
     18       7.3506      0.00000
     19       7.3506      0.00000
     20       7.4155      0.00000
     21       7.9702      0.00000
     22       7.9703      0.00000
     23       8.1175      0.00000
     24       9.8898      0.00000

 k-point   128 :      -0.0625   -0.0625    0.1875
  band No.  band energies     occupation 
      1     -13.1638      2.00000
      2     -12.8546      2.00000
      3     -12.8251      2.00000
      4     -12.8251      2.00000
      5      -2.1391      2.00000
      6      -2.1391      2.00000
      7      -2.1336      2.00000
      8      -1.3105      2.00000
      9      -1.3105      2.00000
     10      -1.1610      2.00000
     11      -1.1610      2.00000
     12      -1.1493      2.00000
     13      -1.1066      2.00000
     14      -0.8674      2.00000
     15      -0.6198      2.00000
     16      -0.6076      2.00000
     17       4.9752      0.00000
     18       7.1058      0.00000
     19       7.2710      0.00000
     20       7.2710      0.00000
     21       7.7349      0.00000
     22       7.8510      0.00000
     23       7.8512      0.00000
     24      10.1877      0.00000

 k-point   129 :       0.0625    0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7148      0.00000
     20       7.7150      0.00000
     21       7.9974      0.00000
     22       8.2865      0.00000
     23       8.2909      0.00000
     24       9.8215      0.00000

 k-point   130 :       0.1875    0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7444      0.00000
     20       7.7917      0.00000
     21       8.2067      0.00000
     22       8.3816      0.00000
     23       8.4838      0.00000
     24       9.5064      0.00000

 k-point   131 :       0.3125    0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7063      0.00000
     20       7.8910      0.00000
     21       8.5679      0.00000
     22       8.5692      0.00000
     23       8.6961      0.00000
     24       9.2888      0.00000

 k-point   132 :       0.4375    0.0625    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1159      0.00000
     21       8.7663      0.00000
     22       8.8123      0.00000
     23       8.8638      0.00000
     24       9.1915      0.00000

 k-point   133 :      -0.4375    0.0625    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1180      0.00000
     21       8.7709      0.00000
     22       8.8101      0.00000
     23       8.8714      0.00000
     24       9.0609      0.00000

 k-point   134 :      -0.3125    0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7063      0.00000
     20       7.8922      0.00000
     21       8.5670      0.00000
     22       8.5696      0.00000
     23       8.6956      0.00000
     24       9.2917      0.00000

 k-point   135 :      -0.1875    0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3295      0.00000
     19       7.7450      0.00000
     20       7.7915      0.00000
     21       8.2028      0.00000
     22       8.3813      0.00000
     23       8.4852      0.00000
     24       9.5024      0.00000

 k-point   136 :      -0.0625    0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7148      0.00000
     20       7.7153      0.00000
     21       8.0063      0.00000
     22       8.2853      0.00000
     23       8.2863      0.00000
     24       9.4860      0.00000

 k-point   137 :       0.0625    0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7448      0.00000
     20       7.7916      0.00000
     21       8.2045      0.00000
     22       8.3810      0.00000
     23       8.4843      0.00000
     24       9.5033      0.00000

 k-point   138 :       0.1875    0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7403      0.00000
     20       7.7406      0.00000
     21       8.4624      0.00000
     22       8.5852      0.00000
     23       8.5855      0.00000
     24       9.5322      0.00000

 k-point   139 :       0.3125    0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7471      0.00000
     21       8.7986      0.00000
     22       8.8211      0.00000
     23       8.8217      0.00000
     24       9.3918      0.00000

 k-point   140 :       0.4375    0.1875    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9360      0.00000
     22       8.9972      0.00000
     23       9.0681      0.00000
     24       9.2423      0.00000

 k-point   141 :      -0.4375    0.1875    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7072      0.00000
     20       7.7731      0.00000
     21       8.9245      0.00000
     22       8.9904      0.00000
     23       9.0670      0.00000
     24       9.2494      0.00000

 k-point   142 :      -0.3125    0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7471      0.00000
     21       8.7979      0.00000
     22       8.8206      0.00000
     23       8.8215      0.00000
     24       9.3468      0.00000

 k-point   143 :      -0.1875    0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7404      0.00000
     20       7.7407      0.00000
     21       8.4616      0.00000
     22       8.5854      0.00000
     23       8.5863      0.00000
     24       9.4294      0.00000

 k-point   144 :      -0.0625    0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7446      0.00000
     20       7.7915      0.00000
     21       8.2047      0.00000
     22       8.3812      0.00000
     23       8.4837      0.00000
     24       9.4959      0.00000

 k-point   145 :       0.0625    0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7063      0.00000
     19       7.7064      0.00000
     20       7.8910      0.00000
     21       8.5681      0.00000
     22       8.5713      0.00000
     23       8.6958      0.00000
     24       9.2991      0.00000

 k-point   146 :       0.1875    0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5438      0.00000
     20       7.7473      0.00000
     21       8.7973      0.00000
     22       8.8206      0.00000
     23       8.8218      0.00000
     24       9.3872      0.00000

 k-point   147 :       0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9969      2.00000
      2     -12.8767      2.00000
      3     -12.8767      2.00000
      4     -12.8767      2.00000
      5      -2.2327      2.00000
      6      -2.2327      2.00000
      7      -2.2327      2.00000
      8      -1.9792      2.00000
      9      -1.1767      2.00000
     10      -1.1767      2.00000
     11      -1.1767      2.00000
     12      -0.9278      2.00000
     13      -0.9278      2.00000
     14      -0.9278      2.00000
     15      -0.7409      2.00000
     16      -0.7409      2.00000
     17       6.3669      0.00000
     18       7.4080      0.00000
     19       7.4080      0.00000
     20       7.4081      0.00000
     21       9.0900      0.00000
     22       9.0906      0.00000
     23       9.0952      0.00000
     24       9.4504      0.00000

 k-point   148 :       0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2714      0.00000
     22       9.2889      0.00000
     23       9.3951      0.00000
     24       9.4817      0.00000

 k-point   149 :      -0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2799      0.00000
     22       9.2884      0.00000
     23       9.3940      0.00000
     24       9.4826      0.00000

 k-point   150 :      -0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9969      2.00000
      2     -12.8767      2.00000
      3     -12.8767      2.00000
      4     -12.8767      2.00000
      5      -2.2327      2.00000
      6      -2.2327      2.00000
      7      -2.2327      2.00000
      8      -1.9792      2.00000
      9      -1.1767      2.00000
     10      -1.1767      2.00000
     11      -1.1767      2.00000
     12      -0.9278      2.00000
     13      -0.9278      2.00000
     14      -0.9278      2.00000
     15      -0.7409      2.00000
     16      -0.7409      2.00000
     17       6.3669      0.00000
     18       7.4080      0.00000
     19       7.4080      0.00000
     20       7.4080      0.00000
     21       9.0892      0.00000
     22       9.0940      0.00000
     23       9.1001      0.00000
     24       9.4386      0.00000

 k-point   151 :      -0.1875    0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5436      0.00000
     20       7.7470      0.00000
     21       8.7978      0.00000
     22       8.8208      0.00000
     23       8.8218      0.00000
     24       9.3742      0.00000

 k-point   152 :      -0.0625    0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7063      0.00000
     19       7.7064      0.00000
     20       7.8925      0.00000
     21       8.5678      0.00000
     22       8.5695      0.00000
     23       8.6954      0.00000
     24       9.2904      0.00000

 k-point   153 :       0.0625    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2703      0.00000
     19       8.0845      0.00000
     20       8.1146      0.00000
     21       8.7630      0.00000
     22       8.8502      0.00000
     23       8.9946      0.00000
     24       9.2699      0.00000

 k-point   154 :       0.1875    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7072      0.00000
     20       7.7734      0.00000
     21       8.9284      0.00000
     22       8.9973      0.00000
     23       9.0727      0.00000
     24       9.2429      0.00000

 k-point   155 :       0.3125    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3436      0.00000
     21       9.2778      0.00000
     22       9.2870      0.00000
     23       9.3938      0.00000
     24       9.4811      0.00000

 k-point   156 :       0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5643      0.00000
     22       9.6236      0.00000
     23       9.6322      0.00000
     24       9.6653      0.00000

 k-point   157 :      -0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5779      0.00000
     22       9.6316      0.00000
     23       9.6381      0.00000
     24       9.6670      0.00000

 k-point   158 :      -0.3125    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2744      0.00000
     22       9.2844      0.00000
     23       9.3975      0.00000
     24       9.4798      0.00000

 k-point   159 :      -0.1875    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9339      0.00000
     22       8.9955      0.00000
     23       9.0714      0.00000
     24       9.2446      0.00000

 k-point   160 :      -0.0625    0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0846      0.00000
     20       8.1155      0.00000
     21       8.7673      0.00000
     22       8.8196      0.00000
     23       8.8805      0.00000
     24       9.1243      0.00000

 k-point   161 :       0.0625   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1171      0.00000
     21       8.7668      0.00000
     22       8.8265      0.00000
     23       8.8567      0.00000
     24       9.0634      0.00000

 k-point   162 :       0.1875   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7733      0.00000
     21       8.9298      0.00000
     22       8.9921      0.00000
     23       9.0732      0.00000
     24       9.2419      0.00000

 k-point   163 :       0.3125   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2768      0.00000
     22       9.2940      0.00000
     23       9.3967      0.00000
     24       9.4803      0.00000

 k-point   164 :       0.4375   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5773      0.00000
     22       9.6289      0.00000
     23       9.6324      0.00000
     24       9.6647      0.00000

 k-point   165 :      -0.4375   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5754      0.00000
     22       9.6269      0.00000
     23       9.6310      0.00000
     24       9.6650      0.00000

 k-point   166 :      -0.3125   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2691      0.00000
     22       9.2867      0.00000
     23       9.3935      0.00000
     24       9.4796      0.00000

 k-point   167 :      -0.1875   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7735      0.00000
     21       8.9305      0.00000
     22       8.9907      0.00000
     23       9.0706      0.00000
     24       9.2427      0.00000

 k-point   168 :      -0.0625   -0.4375    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1152      0.00000
     21       8.7635      0.00000
     22       8.8273      0.00000
     23       8.8719      0.00000
     24       9.0626      0.00000

 k-point   169 :       0.0625   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7063      0.00000
     19       7.7063      0.00000
     20       7.8913      0.00000
     21       8.5672      0.00000
     22       8.5676      0.00000
     23       8.6958      0.00000
     24       9.2913      0.00000

 k-point   170 :       0.1875   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5437      0.00000
     19       7.5442      0.00000
     20       7.7477      0.00000
     21       8.7986      0.00000
     22       8.8207      0.00000
     23       8.8221      0.00000
     24       9.3789      0.00000

 k-point   171 :       0.3125   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9969      2.00000
      2     -12.8767      2.00000
      3     -12.8767      2.00000
      4     -12.8767      2.00000
      5      -2.2327      2.00000
      6      -2.2327      2.00000
      7      -2.2327      2.00000
      8      -1.9792      2.00000
      9      -1.1767      2.00000
     10      -1.1767      2.00000
     11      -1.1767      2.00000
     12      -0.9278      2.00000
     13      -0.9278      2.00000
     14      -0.9278      2.00000
     15      -0.7409      2.00000
     16      -0.7409      2.00000
     17       6.3669      0.00000
     18       7.4080      0.00000
     19       7.4081      0.00000
     20       7.4081      0.00000
     21       9.0893      0.00000
     22       9.0924      0.00000
     23       9.1001      0.00000
     24       9.4561      0.00000

 k-point   172 :       0.4375   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2778      0.00000
     22       9.2912      0.00000
     23       9.3927      0.00000
     24       9.4833      0.00000

 k-point   173 :      -0.4375   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3436      0.00000
     21       9.2690      0.00000
     22       9.2789      0.00000
     23       9.3964      0.00000
     24       9.4896      0.00000

 k-point   174 :      -0.3125   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -12.9969      2.00000
      2     -12.8767      2.00000
      3     -12.8767      2.00000
      4     -12.8767      2.00000
      5      -2.2327      2.00000
      6      -2.2327      2.00000
      7      -2.2327      2.00000
      8      -1.9792      2.00000
      9      -1.1767      2.00000
     10      -1.1767      2.00000
     11      -1.1767      2.00000
     12      -0.9278      2.00000
     13      -0.9278      2.00000
     14      -0.9278      2.00000
     15      -0.7409      2.00000
     16      -0.7409      2.00000
     17       6.3669      0.00000
     18       7.4080      0.00000
     19       7.4081      0.00000
     20       7.4081      0.00000
     21       9.0889      0.00000
     22       9.0922      0.00000
     23       9.1012      0.00000
     24       9.4413      0.00000

 k-point   175 :      -0.1875   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7472      0.00000
     21       8.7976      0.00000
     22       8.8204      0.00000
     23       8.8213      0.00000
     24       9.3771      0.00000

 k-point   176 :      -0.0625   -0.3125    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7064      0.00000
     20       7.8915      0.00000
     21       8.5673      0.00000
     22       8.5681      0.00000
     23       8.6962      0.00000
     24       9.2905      0.00000

 k-point   177 :       0.0625   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7444      0.00000
     20       7.7916      0.00000
     21       8.2099      0.00000
     22       8.3813      0.00000
     23       8.4836      0.00000
     24       9.4870      0.00000

 k-point   178 :       0.1875   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3954      0.00000
     19       7.7402      0.00000
     20       7.7405      0.00000
     21       8.4633      0.00000
     22       8.5854      0.00000
     23       8.5860      0.00000
     24       9.4818      0.00000

 k-point   179 :       0.3125   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5437      0.00000
     20       7.7474      0.00000
     21       8.7992      0.00000
     22       8.8207      0.00000
     23       8.8212      0.00000
     24       9.4207      0.00000

 k-point   180 :       0.4375   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9349      0.00000
     22       8.9950      0.00000
     23       9.0667      0.00000
     24       9.2501      0.00000

 k-point   181 :      -0.4375   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9353      0.00000
     22       8.9864      0.00000
     23       9.0701      0.00000
     24       9.2852      0.00000

 k-point   182 :      -0.3125   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0291      2.00000
      2     -12.8800      2.00000
      3     -12.8800      2.00000
      4     -12.8494      2.00000
      5      -2.1305      2.00000
      6      -2.1222      2.00000
      7      -2.1222      2.00000
      8      -1.7643      2.00000
      9      -1.4399      2.00000
     10      -1.2328      2.00000
     11      -1.2328      2.00000
     12      -0.9726      2.00000
     13      -0.9701      2.00000
     14      -0.9701      2.00000
     15      -0.7835      2.00000
     16      -0.6930      2.00000
     17       6.2223      0.00000
     18       7.5436      0.00000
     19       7.5438      0.00000
     20       7.7472      0.00000
     21       8.7978      0.00000
     22       8.8205      0.00000
     23       8.8211      0.00000
     24       9.3542      0.00000

 k-point   183 :      -0.1875   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0678      2.00000
      2     -12.8907      2.00000
      3     -12.8450      2.00000
      4     -12.8450      2.00000
      5      -2.0747      2.00000
      6      -2.0747      2.00000
      7      -2.0565      2.00000
      8      -1.5356      2.00000
      9      -1.4462      2.00000
     10      -1.4462      2.00000
     11      -1.1827      2.00000
     12      -1.0437      2.00000
     13      -1.0437      2.00000
     14      -0.9937      2.00000
     15      -0.7167      2.00000
     16      -0.6901      2.00000
     17       5.9171      0.00000
     18       7.3953      0.00000
     19       7.7402      0.00000
     20       7.7404      0.00000
     21       8.4607      0.00000
     22       8.5851      0.00000
     23       8.5857      0.00000
     24       9.4640      0.00000

 k-point   184 :      -0.0625   -0.1875    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7454      0.00000
     20       7.7915      0.00000
     21       8.2027      0.00000
     22       8.3818      0.00000
     23       8.4848      0.00000
     24       9.5020      0.00000

 k-point   185 :       0.0625   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7151      0.00000
     21       8.0009      0.00000
     22       8.2854      0.00000
     23       8.2898      0.00000
     24       9.4588      0.00000

 k-point   186 :       0.1875   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7448      0.00000
     20       7.7916      0.00000
     21       8.2070      0.00000
     22       8.3821      0.00000
     23       8.4841      0.00000
     24       9.5017      0.00000

 k-point   187 :       0.3125   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7065      0.00000
     20       7.8912      0.00000
     21       8.5676      0.00000
     22       8.5692      0.00000
     23       8.6954      0.00000
     24       9.2959      0.00000

 k-point   188 :       0.4375   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0846      0.00000
     20       8.1195      0.00000
     21       8.7715      0.00000
     22       8.8166      0.00000
     23       8.8717      0.00000
     24       9.0808      0.00000

 k-point   189 :      -0.4375   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1177      0.00000
     21       8.7669      0.00000
     22       8.8110      0.00000
     23       8.8730      0.00000
     24       9.0906      0.00000

 k-point   190 :      -0.3125   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0468      2.00000
      2     -12.8823      2.00000
      3     -12.8823      2.00000
      4     -12.8351      2.00000
      5      -2.0293      2.00000
      6      -2.0293      2.00000
      7      -1.9475      2.00000
      8      -1.7074      2.00000
      9      -1.5860      2.00000
     10      -1.2844      2.00000
     11      -1.2844      2.00000
     12      -1.0034      2.00000
     13      -1.0034      2.00000
     14      -0.9966      2.00000
     15      -0.8704      2.00000
     16      -0.6667      2.00000
     17       6.1676      0.00000
     18       7.7062      0.00000
     19       7.7064      0.00000
     20       7.8915      0.00000
     21       8.5670      0.00000
     22       8.5695      0.00000
     23       8.6954      0.00000
     24       9.2927      0.00000

 k-point   191 :      -0.1875   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.0890      2.00000
      2     -12.8969      2.00000
      3     -12.8431      2.00000
      4     -12.8264      2.00000
      5      -2.0408      2.00000
      6      -2.0098      2.00000
      7      -1.9789      2.00000
      8      -1.6288      2.00000
      9      -1.3984      2.00000
     10      -1.3528      2.00000
     11      -1.1447      2.00000
     12      -1.1330      2.00000
     13      -1.0818      2.00000
     14      -1.0218      2.00000
     15      -0.7635      2.00000
     16      -0.6603      2.00000
     17       5.7593      0.00000
     18       7.3296      0.00000
     19       7.7445      0.00000
     20       7.7918      0.00000
     21       8.2037      0.00000
     22       8.3811      0.00000
     23       8.4840      0.00000
     24       9.4938      0.00000

 k-point   192 :      -0.0625   -0.0625    0.3125
  band No.  band energies     occupation 
      1     -13.1121      2.00000
      2     -12.9053      2.00000
      3     -12.8222      2.00000
      4     -12.8222      2.00000
      5      -2.0214      2.00000
      6      -2.0214      2.00000
      7      -1.9936      2.00000
      8      -1.4735      2.00000
      9      -1.4735      2.00000
     10      -1.2095      2.00000
     11      -1.2095      2.00000
     12      -1.1723      2.00000
     13      -1.0627      2.00000
     14      -1.0321      2.00000
     15      -0.7075      2.00000
     16      -0.6992      2.00000
     17       5.5369      0.00000
     18       7.1118      0.00000
     19       7.7147      0.00000
     20       7.7147      0.00000
     21       7.9920      0.00000
     22       8.2852      0.00000
     23       8.2853      0.00000
     24       9.6850      0.00000

 k-point   193 :       0.0625    0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1806      0.00000
     21       8.4291      0.00000
     22       8.7852      0.00000
     23       8.7892      0.00000
     24       8.9758      0.00000

 k-point   194 :       0.1875    0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3772      0.00000
     18       6.9728      0.00000
     19       8.2286      0.00000
     20       8.3065      0.00000
     21       8.5391      0.00000
     22       8.6512      0.00000
     23       8.7144      0.00000
     24       9.0535      0.00000

 k-point   195 :       0.3125    0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1152      0.00000
     21       8.7638      0.00000
     22       8.8150      0.00000
     23       8.8595      0.00000
     24       9.0626      0.00000

 k-point   196 :       0.4375    0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1227      0.00000
     18       7.6004      0.00000
     19       7.6005      0.00000
     20       7.8871      0.00000
     21       9.0731      0.00000
     22       9.0859      0.00000
     23       9.1120      0.00000
     24       9.1237      0.00000

 k-point   197 :      -0.4375    0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6004      0.00000
     19       7.6005      0.00000
     20       7.8875      0.00000
     21       9.0678      0.00000
     22       9.0881      0.00000
     23       9.1090      0.00000
     24       9.1212      0.00000

 k-point   198 :      -0.3125    0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1153      0.00000
     21       8.7651      0.00000
     22       8.8567      0.00000
     23       8.8791      0.00000
     24       9.1389      0.00000

 k-point   199 :      -0.1875    0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3772      0.00000
     18       6.9728      0.00000
     19       8.2281      0.00000
     20       8.3064      0.00000
     21       8.5500      0.00000
     22       8.6518      0.00000
     23       8.7131      0.00000
     24       9.0625      0.00000

 k-point   200 :      -0.0625    0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1827      0.00000
     21       8.4201      0.00000
     22       8.7854      0.00000
     23       8.8028      0.00000
     24       9.2044      0.00000

 k-point   201 :       0.0625    0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2299      0.00000
     20       8.3061      0.00000
     21       8.6133      0.00000
     22       8.6677      0.00000
     23       8.7349      0.00000
     24       9.0856      0.00000

 k-point   202 :       0.1875    0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0930      0.00000
     20       8.0932      0.00000
     21       8.6739      0.00000
     22       8.6765      0.00000
     23       8.7451      0.00000
     24       9.0731      0.00000

 k-point   203 :       0.3125    0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7733      0.00000
     21       8.9340      0.00000
     22       8.9946      0.00000
     23       9.0659      0.00000
     24       9.2401      0.00000

 k-point   204 :       0.4375    0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5035      0.00000
     21       9.2472      0.00000
     22       9.3319      0.00000
     23       9.3355      0.00000
     24       9.3621      0.00000

 k-point   205 :      -0.4375    0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2518      0.00000
     22       9.3337      0.00000
     23       9.3433      0.00000
     24       9.3630      0.00000

 k-point   206 :      -0.3125    0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9282      0.00000
     22       9.0070      0.00000
     23       9.0682      0.00000
     24       9.2481      0.00000

 k-point   207 :      -0.1875    0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0929      0.00000
     20       8.0935      0.00000
     21       8.6739      0.00000
     22       8.6774      0.00000
     23       8.7479      0.00000
     24       9.0688      0.00000

 k-point   208 :      -0.0625    0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2292      0.00000
     20       8.3062      0.00000
     21       8.5380      0.00000
     22       8.6511      0.00000
     23       8.7141      0.00000
     24       9.0454      0.00000

 k-point   209 :       0.0625    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1171      0.00000
     21       8.7644      0.00000
     22       8.8089      0.00000
     23       8.8555      0.00000
     24       9.0722      0.00000

 k-point   210 :       0.1875    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9321      0.00000
     22       8.9911      0.00000
     23       9.0658      0.00000
     24       9.2469      0.00000

 k-point   211 :       0.3125    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2854      0.00000
     22       9.2890      0.00000
     23       9.3948      0.00000
     24       9.4824      0.00000

 k-point   212 :       0.4375    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5818      0.00000
     22       9.6252      0.00000
     23       9.6311      0.00000
     24       9.6661      0.00000

 k-point   213 :      -0.4375    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0916      0.00000
     21       9.5836      0.00000
     22       9.6277      0.00000
     23       9.6325      0.00000
     24       9.6646      0.00000

 k-point   214 :      -0.3125    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2719      0.00000
     22       9.2889      0.00000
     23       9.3972      0.00000
     24       9.4816      0.00000

 k-point   215 :      -0.1875    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9339      0.00000
     22       9.0099      0.00000
     23       9.0665      0.00000
     24       9.2368      0.00000

 k-point   216 :      -0.0625    0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0843      0.00000
     20       8.1178      0.00000
     21       8.7660      0.00000
     22       8.8185      0.00000
     23       8.8617      0.00000
     24       9.0660      0.00000

 k-point   217 :       0.0625    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1227      0.00000
     18       7.6004      0.00000
     19       7.6004      0.00000
     20       7.8871      0.00000
     21       9.0731      0.00000
     22       9.0918      0.00000
     23       9.0931      0.00000
     24       9.1116      0.00000

 k-point   218 :       0.1875    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2658      0.00000
     22       9.3347      0.00000
     23       9.3472      0.00000
     24       9.3672      0.00000

 k-point   219 :       0.3125    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5599      0.00000
     22       9.6227      0.00000
     23       9.6273      0.00000
     24       9.6649      0.00000

 k-point   220 :       0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9115      2.00000
      2     -12.8965      2.00000
      3     -12.8965      2.00000
      4     -12.8965      2.00000
      5      -2.4354      2.00000
      6      -2.4354      2.00000
      7      -2.4354      2.00000
      8      -2.4080      2.00000
      9      -0.8674      2.00000
     10      -0.8674      2.00000
     11      -0.8674      2.00000
     12      -0.8306      2.00000
     13      -0.8306      2.00000
     14      -0.8306      2.00000
     15      -0.8075      2.00000
     16      -0.8075      2.00000
     17       6.6723      0.00000
     18       6.7959      0.00000
     19       6.7959      0.00000
     20       6.7959      0.00000
     21       9.8746      0.00000
     22       9.8779      0.00000
     23       9.8797      0.00000
     24       9.8925      0.00000

 k-point   221 :      -0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9115      2.00000
      2     -12.8965      2.00000
      3     -12.8965      2.00000
      4     -12.8965      2.00000
      5      -2.4354      2.00000
      6      -2.4354      2.00000
      7      -2.4354      2.00000
      8      -2.4080      2.00000
      9      -0.8674      2.00000
     10      -0.8674      2.00000
     11      -0.8674      2.00000
     12      -0.8306      2.00000
     13      -0.8306      2.00000
     14      -0.8306      2.00000
     15      -0.8075      2.00000
     16      -0.8075      2.00000
     17       6.6723      0.00000
     18       6.7959      0.00000
     19       6.7959      0.00000
     20       6.7959      0.00000
     21       9.8697      0.00000
     22       9.8714      0.00000
     23       9.8736      0.00000
     24       9.8922      0.00000

 k-point   222 :      -0.3125    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5808      0.00000
     22       9.6270      0.00000
     23       9.6349      0.00000
     24       9.6666      0.00000

 k-point   223 :      -0.1875    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2694      0.00000
     22       9.3357      0.00000
     23       9.3467      0.00000
     24       9.3690      0.00000

 k-point   224 :      -0.0625    0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6004      0.00000
     19       7.6005      0.00000
     20       7.8874      0.00000
     21       9.0735      0.00000
     22       9.0900      0.00000
     23       9.0952      0.00000
     24       9.1673      0.00000

 k-point   225 :       0.0625   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6004      0.00000
     19       7.6005      0.00000
     20       7.8877      0.00000
     21       9.0756      0.00000
     22       9.0862      0.00000
     23       9.1160      0.00000
     24       9.1405      0.00000

 k-point   226 :       0.1875   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2499      0.00000
     22       9.3415      0.00000
     23       9.3530      0.00000
     24       9.3671      0.00000

 k-point   227 :       0.3125   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5813      0.00000
     22       9.6255      0.00000
     23       9.6356      0.00000
     24       9.6663      0.00000

 k-point   228 :       0.4375   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9115      2.00000
      2     -12.8965      2.00000
      3     -12.8965      2.00000
      4     -12.8965      2.00000
      5      -2.4354      2.00000
      6      -2.4354      2.00000
      7      -2.4354      2.00000
      8      -2.4080      2.00000
      9      -0.8674      2.00000
     10      -0.8674      2.00000
     11      -0.8674      2.00000
     12      -0.8306      2.00000
     13      -0.8306      2.00000
     14      -0.8306      2.00000
     15      -0.8075      2.00000
     16      -0.8075      2.00000
     17       6.6723      0.00000
     18       6.7959      0.00000
     19       6.7959      0.00000
     20       6.7959      0.00000
     21       9.8716      0.00000
     22       9.8763      0.00000
     23       9.8834      0.00000
     24       9.8931      0.00000

 k-point   229 :      -0.4375   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9115      2.00000
      2     -12.8965      2.00000
      3     -12.8965      2.00000
      4     -12.8965      2.00000
      5      -2.4354      2.00000
      6      -2.4354      2.00000
      7      -2.4354      2.00000
      8      -2.4080      2.00000
      9      -0.8674      2.00000
     10      -0.8674      2.00000
     11      -0.8674      2.00000
     12      -0.8306      2.00000
     13      -0.8306      2.00000
     14      -0.8306      2.00000
     15      -0.8075      2.00000
     16      -0.8075      2.00000
     17       6.6723      0.00000
     18       6.7959      0.00000
     19       6.7959      0.00000
     20       6.7959      0.00000
     21       9.8723      0.00000
     22       9.8760      0.00000
     23       9.8809      0.00000
     24       9.8932      0.00000

 k-point   230 :      -0.3125   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5845      0.00000
     22       9.6258      0.00000
     23       9.6309      0.00000
     24       9.6688      0.00000

 k-point   231 :      -0.1875   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2623      0.00000
     22       9.3351      0.00000
     23       9.3465      0.00000
     24       9.3646      0.00000

 k-point   232 :      -0.0625   -0.4375    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6004      0.00000
     19       7.6005      0.00000
     20       7.8873      0.00000
     21       9.0703      0.00000
     22       9.0843      0.00000
     23       9.0967      0.00000
     24       9.2074      0.00000

 k-point   233 :       0.0625   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1158      0.00000
     21       8.7669      0.00000
     22       8.8124      0.00000
     23       8.8597      0.00000
     24       9.0735      0.00000

 k-point   234 :       0.1875   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7731      0.00000
     21       8.9333      0.00000
     22       8.9993      0.00000
     23       9.0674      0.00000
     24       9.2359      0.00000

 k-point   235 :       0.3125   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3437      0.00000
     21       9.2764      0.00000
     22       9.2919      0.00000
     23       9.3941      0.00000
     24       9.4805      0.00000

 k-point   236 :       0.4375   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5884      0.00000
     22       9.6293      0.00000
     23       9.6334      0.00000
     24       9.6656      0.00000

 k-point   237 :      -0.4375   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9276      2.00000
      2     -12.8989      2.00000
      3     -12.8989      2.00000
      4     -12.8850      2.00000
      5      -2.3659      2.00000
      6      -2.3435      2.00000
      7      -2.3435      2.00000
      8      -2.2894      2.00000
      9      -1.0316      2.00000
     10      -0.9651      2.00000
     11      -0.9651      2.00000
     12      -0.8624      2.00000
     13      -0.8525      2.00000
     14      -0.8403      2.00000
     15      -0.8403      2.00000
     16      -0.7865      2.00000
     17       6.7304      0.00000
     18       6.9753      0.00000
     19       6.9753      0.00000
     20       7.0915      0.00000
     21       9.5877      0.00000
     22       9.6250      0.00000
     23       9.6309      0.00000
     24       9.6647      0.00000

 k-point   238 :      -0.3125   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9562      2.00000
      2     -12.9140      2.00000
      3     -12.8744      2.00000
      4     -12.8744      2.00000
      5      -2.3015      2.00000
      6      -2.3015      2.00000
      7      -2.2398      2.00000
      8      -2.1502      2.00000
      9      -1.1426      2.00000
     10      -1.1426      2.00000
     11      -0.9514      2.00000
     12      -0.9021      2.00000
     13      -0.9021      2.00000
     14      -0.8683      2.00000
     15      -0.8027      2.00000
     16      -0.7975      2.00000
     17       6.6287      0.00000
     18       6.9957      0.00000
     19       7.3436      0.00000
     20       7.3436      0.00000
     21       9.2772      0.00000
     22       9.2836      0.00000
     23       9.3964      0.00000
     24       9.4811      0.00000

 k-point   239 :      -0.1875   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7732      0.00000
     21       8.9317      0.00000
     22       9.0038      0.00000
     23       9.0697      0.00000
     24       9.2441      0.00000

 k-point   240 :      -0.0625   -0.3125    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1147      0.00000
     21       8.7640      0.00000
     22       8.8088      0.00000
     23       8.8604      0.00000
     24       9.0712      0.00000

 k-point   241 :       0.0625   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2282      0.00000
     20       8.3058      0.00000
     21       8.6208      0.00000
     22       8.6737      0.00000
     23       8.7289      0.00000
     24       9.0773      0.00000

 k-point   242 :       0.1875   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0928      0.00000
     20       8.0930      0.00000
     21       8.6733      0.00000
     22       8.6780      0.00000
     23       8.7443      0.00000
     24       9.0760      0.00000

 k-point   243 :       0.3125   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1246      0.00000
     19       7.7071      0.00000
     20       7.7734      0.00000
     21       8.9332      0.00000
     22       9.0048      0.00000
     23       9.0665      0.00000
     24       9.2355      0.00000

 k-point   244 :       0.4375   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5035      0.00000
     21       9.2579      0.00000
     22       9.3323      0.00000
     23       9.3390      0.00000
     24       9.3639      0.00000

 k-point   245 :      -0.4375   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9415      2.00000
      2     -12.9023      2.00000
      3     -12.9023      2.00000
      4     -12.8777      2.00000
      5      -2.2154      2.00000
      6      -2.1837      2.00000
      7      -2.1837      2.00000
      8      -2.1094      2.00000
      9      -1.2613      2.00000
     10      -1.1426      2.00000
     11      -1.1426      2.00000
     12      -1.0063      2.00000
     13      -0.8695      2.00000
     14      -0.8440      2.00000
     15      -0.8440      2.00000
     16      -0.7707      2.00000
     17       6.9245      0.00000
     18       7.2891      0.00000
     19       7.2891      0.00000
     20       7.5036      0.00000
     21       9.2524      0.00000
     22       9.3338      0.00000
     23       9.3413      0.00000
     24       9.3610      0.00000

 k-point   246 :      -0.3125   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.9270      2.00000
      3     -12.8679      2.00000
      4     -12.8571      2.00000
      5      -2.1716      2.00000
      6      -2.1690      2.00000
      7      -2.0853      2.00000
      8      -1.9605      2.00000
      9      -1.3798      2.00000
     10      -1.3009      2.00000
     11      -1.0416      2.00000
     12      -0.9516      2.00000
     13      -0.9457      2.00000
     14      -0.8937      2.00000
     15      -0.8676      2.00000
     16      -0.7594      2.00000
     17       6.6451      0.00000
     18       7.1247      0.00000
     19       7.7071      0.00000
     20       7.7733      0.00000
     21       8.9275      0.00000
     22       8.9963      0.00000
     23       9.0739      0.00000
     24       9.2400      0.00000

 k-point   247 :      -0.1875   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0095      2.00000
      2     -12.9473      2.00000
      3     -12.8428      2.00000
      4     -12.8428      2.00000
      5      -2.0689      2.00000
      6      -2.0689      2.00000
      7      -1.9537      2.00000
      8      -1.7744      2.00000
      9      -1.4868      2.00000
     10      -1.4868      2.00000
     11      -1.0509      2.00000
     12      -1.0509      2.00000
     13      -0.9898      2.00000
     14      -0.9070      2.00000
     15      -0.8147      2.00000
     16      -0.8098      2.00000
     17       6.4634      0.00000
     18       7.0184      0.00000
     19       8.0928      0.00000
     20       8.0929      0.00000
     21       8.6737      0.00000
     22       8.6773      0.00000
     23       8.7462      0.00000
     24       9.0988      0.00000

 k-point   248 :      -0.0625   -0.1875    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2282      0.00000
     20       8.3083      0.00000
     21       8.5891      0.00000
     22       8.6529      0.00000
     23       8.7155      0.00000
     24       9.0043      0.00000

 k-point   249 :       0.0625   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1797      0.00000
     20       8.1821      0.00000
     21       8.4275      0.00000
     22       8.7853      0.00000
     23       8.7978      0.00000
     24       8.9652      0.00000

 k-point   250 :       0.1875   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9729      0.00000
     19       8.2340      0.00000
     20       8.3060      0.00000
     21       8.6532      0.00000
     22       8.6938      0.00000
     23       8.7271      0.00000
     24       9.0649      0.00000

 k-point   251 :       0.3125   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0844      0.00000
     20       8.1182      0.00000
     21       8.7679      0.00000
     22       8.8068      0.00000
     23       8.8629      0.00000
     24       9.0602      0.00000

 k-point   252 :       0.4375   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6005      0.00000
     19       7.6005      0.00000
     20       7.8872      0.00000
     21       9.0652      0.00000
     22       9.0858      0.00000
     23       9.0992      0.00000
     24       9.1375      0.00000

 k-point   253 :      -0.4375   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9495      2.00000
      2     -12.9047      2.00000
      3     -12.9047      2.00000
      4     -12.8743      2.00000
      5      -2.0438      2.00000
      6      -2.0264      2.00000
      7      -2.0264      2.00000
      8      -1.9444      2.00000
      9      -1.4776      2.00000
     10      -1.3127      2.00000
     11      -1.3127      2.00000
     12      -1.1565      2.00000
     13      -0.8787      2.00000
     14      -0.8461      2.00000
     15      -0.8461      2.00000
     16      -0.7623      2.00000
     17       7.1228      0.00000
     18       7.6005      0.00000
     19       7.6006      0.00000
     20       7.8877      0.00000
     21       9.0776      0.00000
     22       9.0845      0.00000
     23       9.0991      0.00000
     24       9.1435      0.00000

 k-point   254 :      -0.3125   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -12.9924      2.00000
      2     -12.9346      2.00000
      3     -12.8649      2.00000
      4     -12.8483      2.00000
      5      -2.0296      2.00000
      6      -1.9933      2.00000
      7      -1.9512      2.00000
      8      -1.7983      2.00000
      9      -1.6167      2.00000
     10      -1.4541      2.00000
     11      -1.1497      2.00000
     12      -1.0060      2.00000
     13      -0.9792      2.00000
     14      -0.9683      2.00000
     15      -0.8600      2.00000
     16      -0.7386      2.00000
     17       6.7003      0.00000
     18       7.2702      0.00000
     19       8.0845      0.00000
     20       8.1168      0.00000
     21       8.7675      0.00000
     22       8.8139      0.00000
     23       8.8692      0.00000
     24       9.0689      0.00000

 k-point   255 :      -0.1875   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0262      2.00000
      2     -12.9587      2.00000
      3     -12.8356      2.00000
      4     -12.8297      2.00000
      5      -1.9619      2.00000
      6      -1.9025      2.00000
      7      -1.8515      2.00000
      8      -1.6944      2.00000
      9      -1.6257      2.00000
     10      -1.5694      2.00000
     11      -1.1328      2.00000
     12      -1.1073      2.00000
     13      -1.0181      2.00000
     14      -0.8996      2.00000
     15      -0.8859      2.00000
     16      -0.7693      2.00000
     17       6.3771      0.00000
     18       6.9728      0.00000
     19       8.2279      0.00000
     20       8.3068      0.00000
     21       8.5376      0.00000
     22       8.6536      0.00000
     23       8.7143      0.00000
     24       9.0549      0.00000

 k-point   256 :      -0.0625   -0.0625    0.4375
  band No.  band energies     occupation 
      1     -13.0447      2.00000
      2     -12.9721      2.00000
      3     -12.8201      2.00000
      4     -12.8201      2.00000
      5      -1.8644      2.00000
      6      -1.8644      2.00000
      7      -1.7780      2.00000
      8      -1.6566      2.00000
      9      -1.6566      2.00000
     10      -1.4948      2.00000
     11      -1.2483      2.00000
     12      -1.2483      2.00000
     13      -0.9476      2.00000
     14      -0.9314      2.00000
     15      -0.8200      2.00000
     16      -0.8175      2.00000
     17       6.2002      0.00000
     18       6.7980      0.00000
     19       8.1796      0.00000
     20       8.1806      0.00000
     21       8.4297      0.00000
     22       8.7866      0.00000
     23       8.7957      0.00000
     24       8.9358      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
 
 pseudopotential strength for first ion, spin component:           1
  1.428   6.381  -0.000   0.000   0.000
  6.381  28.107  -0.000  -0.000   0.000
 -0.000  -0.000   5.461   0.000   0.000
  0.000  -0.000   0.000   5.461   0.000
  0.000   0.000   0.000   0.000   5.461
 total augmentation occupancy for first ion, spin component:           1
  0.359   0.002  -0.000   0.000  -0.000
  0.002   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.017   0.000  -0.000
  0.000  -0.000   0.000   0.017  -0.000
 -0.000   0.000  -0.000  -0.000   0.017


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


    CHARGE:  cpu time    0.5771: real time    0.5774
    FORLOC:  cpu time    0.0015: real time    0.0015
    FORNL :  cpu time    0.6578: real time    0.6583
    STRESS:  cpu time    4.4810: real time    4.4839
    FORCOR:  cpu time    0.0166: real time    0.0166
    FORHAR:  cpu time    0.0043: real time    0.0043
    MIXING:  cpu time    0.0005: real time    0.0005
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     8.40909     8.40909     8.40909
  Ewald    -415.35328  -415.35328  -415.35328    -0.00000    -0.00000    -0.00000
  Hartree   133.30188   133.30188   133.30188    -0.00000     0.00000     0.00000
  E(xc)    -114.41366  -114.41366  -114.41366     0.00000    -0.00000     0.00000
  Local    -348.39922  -348.39922  -348.39922     0.00000    -0.00000     0.00000
  n-local   337.52652   337.52652   337.52652    -0.00000     0.00000    -0.00000
  augment   -77.35988   -77.35988   -77.35988    -0.00000     0.00000     0.00000
  Kinetic   476.28853   476.28853   476.28853     0.00000    -0.00000     0.00000
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.00002    -0.00002    -0.00002     0.00000    -0.00000     0.00000
  in kB      -0.00020    -0.00019    -0.00019     0.00000    -0.00000     0.00000
  external pressure =       -0.00 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :      180.46
      direct lattice vectors                 reciprocal lattice vectors
     5.650999387  0.000000000  0.000000000     0.176959849  0.000000000  0.000000000
     0.000000000  5.650999387  0.000000000     0.000000000  0.176959849  0.000000000
     0.000000000  0.000000000  5.650999387     0.000000000  0.000000000  0.176959849

  length of vectors
     5.650999387  5.650999387  5.650999387     0.176959849  0.176959849  0.176959849


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.255E-07 -.104E-07 -.355E-07   -.495E-15 0.429E-15 0.529E-15   -.104E-07 0.678E-08 0.135E-07   -.118E-07 0.432E-08 0.173E-07
   -.218E-07 0.156E-07 -.430E-07   -.775E-15 0.716E-15 0.530E-15   0.801E-08 -.793E-08 0.183E-07   0.115E-07 -.625E-08 0.189E-07
   0.172E-07 0.327E-08 0.241E-07   -.516E-15 0.653E-15 0.212E-15   -.439E-08 0.105E-08 -.895E-08   -.111E-07 -.457E-08 -.164E-07
   -.202E-07 -.117E-07 0.373E-07   -.797E-15 0.327E-15 0.212E-15   0.598E-08 0.466E-08 -.156E-07   0.118E-07 0.579E-08 -.188E-07
   0.696E-07 -.159E-06 0.382E-06   0.447E-14 0.113E-14 0.778E-15   0.163E-06 0.220E-06 -.366E-06   -.206E-06 -.299E-07 -.397E-07
   -.873E-07 0.523E-07 0.157E-06   0.369E-15 0.368E-15 0.749E-15   -.195E-06 -.222E-06 -.427E-06   0.231E-06 0.125E-06 0.199E-06
   0.108E-06 0.126E-06 0.245E-06   0.811E-15 -.368E-14 -.133E-14   0.129E-06 -.686E-07 0.213E-06   -.219E-06 -.565E-07 -.396E-06
   -.513E-07 0.312E-07 0.430E-06   -.329E-14 -.177E-15 -.136E-14   -.767E-07 0.107E-06 0.198E-06   0.129E-06 -.121E-06 -.543E-06
 -----------------------------------------------------------------------------------------------
   0.393E-07 0.471E-07 0.120E-05   -.222E-15 -.238E-15 0.323E-15   0.185E-07 0.410E-07 -.375E-06   -.640E-07 -.834E-07 -.779E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.82550      0.00000      2.82550         0.000000      0.000000     -0.000000
      0.00000      2.82550      2.82550        -0.000000      0.000000     -0.000000
      2.82550      2.82550      0.00000         0.000000     -0.000000     -0.000000
      0.00000      0.00000      0.00000        -0.000000     -0.000000     -0.000000
      2.82550      2.82550      2.82550         0.000000      0.000000     -0.000000
      0.00000      0.00000      2.82550        -0.000000     -0.000000     -0.000000
      2.82550      0.00000      0.00000         0.000000      0.000000      0.000000
      0.00000      2.82550      0.00000         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  =       -27.25886737 eV

  energy  without entropy=      -27.25886737  energy(sigma->0) =      -27.25886737
 


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


    POTLOK:  cpu time    0.0192: real time    0.0192


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


 writing wavefunctions
     LOOP+:  cpu time   45.2934: real time   83.0069
    4ORBIT:  cpu time    0.0000: real time    0.0000
 BZINTS: Fermi energy: -0.528133; 32.000000 electrons
         Band energy:-135.978108;  BLOECHL correction:  0.000000

 total amount of memory used by VASP MPI-rank0   206628. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     151584. kBytes
   fftplans  :       1252. kBytes
   grid      :       4599. kBytes
   one-center:         24. kBytes
   wavefun   :      19169. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       49.413
                            User time (sec):       48.695
                          System time (sec):        0.717
                         Elapsed time (sec):       89.220
  
                   Maximum memory used (kb):      324836.
                   Average memory used (kb):           0.
  
                          Minor page faults:        35852
                          Major page faults:           45
                 Voluntary context switches:        12288
