 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Mar 26 2019 17:03:36) complex          
  
 executed on                LINUX date 2021.04.29  09:02:32
 serial version


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


 INCAR:
 POTCAR:    PAW_PBE Fe 06Sep2000                  
 POTCAR:    PAW_PBE Fe 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=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  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=           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  =           6
   number of lm-projection operators is LMMAX =          18
 
  PAW_PBE Fe 06Sep2000                  :
 energy of atom  1       EATOM= -594.3153
 kinetic energy error for atom=    0.0026 (will be added to EATOM!!)
 
 
 POSCAR: Fe                                      
  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
 


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 ion  position               nearest neighbor table
   1  0.500  0.500  0.500-   2 2.45   2 2.45   2 2.45   2 2.45   2 2.45   2 2.45   2 2.45   2 2.45

   2  0.000  0.000  0.000-   1 2.45   1 2.45   1 2.45   1 2.45   1 2.45   1 2.45   1 2.45   1 2.45

 

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     0.000001     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
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 -0.437500  0.437500  0.062500      2.000000
 -0.312500  0.437500  0.062500      2.000000
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  0.437500 -0.312500  0.062500      2.000000
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 -0.312500 -0.312500  0.062500      2.000000
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  0.187500 -0.187500  0.062500      2.000000
  0.312500 -0.187500  0.062500      2.000000
  0.437500 -0.187500  0.062500      2.000000
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 -0.312500 -0.187500  0.062500      2.000000
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  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
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 -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
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 -0.062500  0.437500  0.187500      2.000000
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  0.187500 -0.437500  0.187500      2.000000
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  0.437500 -0.437500  0.187500      2.000000
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  0.437500 -0.312500  0.187500      2.000000
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 -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
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  0.062500  0.312500  0.312500      2.000000
  0.187500  0.312500  0.312500      2.000000
  0.312500  0.312500  0.312500      2.000000
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 -0.437500  0.312500  0.312500      2.000000
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 -0.187500  0.312500  0.312500      2.000000
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  0.062500  0.437500  0.312500      2.000000
  0.187500  0.437500  0.312500      2.000000
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 -0.437500  0.437500  0.312500      2.000000
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 -0.187500  0.437500  0.312500      2.000000
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 -0.437500 -0.437500  0.312500      2.000000
 -0.312500 -0.437500  0.312500      2.000000
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  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
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  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
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  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
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 -0.437500  0.312500  0.437500      2.000000
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 -0.062500  0.312500  0.437500      2.000000
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 -0.437500  0.437500  0.437500      2.000000
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 -0.187500  0.437500  0.437500      2.000000
 -0.062500  0.437500  0.437500      2.000000
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  0.062500 -0.187500  0.437500      2.000000
  0.187500 -0.187500  0.437500      2.000000
  0.312500 -0.187500  0.437500      2.000000
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 -0.437500 -0.187500  0.437500      2.000000
 -0.312500 -0.187500  0.437500      2.000000
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 -0.062500 -0.062500  0.437500      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.022071  0.022071  0.022071      2.000000
  0.066213  0.022071  0.022071      2.000000
  0.110355  0.022071  0.022071      2.000000
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 -0.110355  0.022071  0.022071      2.000000
 -0.066213  0.022071  0.022071      2.000000
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  0.022071  0.110355  0.022071      2.000000
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 -0.022071  0.022071  0.066213      2.000000
  0.022071  0.066213  0.066213      2.000000
  0.066213  0.066213  0.066213      2.000000
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 -0.154497  0.066213  0.066213      2.000000
 -0.110355  0.066213  0.066213      2.000000
 -0.066213  0.066213  0.066213      2.000000
 -0.022071  0.066213  0.066213      2.000000
  0.022071  0.110355  0.066213      2.000000
  0.066213  0.110355  0.066213      2.000000
  0.110355  0.110355  0.066213      2.000000
  0.154497  0.110355  0.066213      2.000000
 -0.154497  0.110355  0.066213      2.000000
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 -0.066213  0.110355  0.066213      2.000000
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  0.022071  0.154497  0.066213      2.000000
  0.066213  0.154497  0.066213      2.000000
  0.110355  0.154497  0.066213      2.000000
  0.154497  0.154497  0.066213      2.000000
 -0.154497  0.154497  0.066213      2.000000
 -0.110355  0.154497  0.066213      2.000000
 -0.066213  0.154497  0.066213      2.000000
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  0.022071 -0.154497  0.066213      2.000000
  0.066213 -0.154497  0.066213      2.000000
  0.110355 -0.154497  0.066213      2.000000
  0.154497 -0.154497  0.066213      2.000000
 -0.154497 -0.154497  0.066213      2.000000
 -0.110355 -0.154497  0.066213      2.000000
 -0.066213 -0.154497  0.066213      2.000000
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  0.022071 -0.110355  0.066213      2.000000
  0.066213 -0.110355  0.066213      2.000000
  0.110355 -0.110355  0.066213      2.000000
  0.154497 -0.110355  0.066213      2.000000
 -0.154497 -0.110355  0.066213      2.000000
 -0.110355 -0.110355  0.066213      2.000000
 -0.066213 -0.110355  0.066213      2.000000
 -0.022071 -0.110355  0.066213      2.000000
  0.022071 -0.066213  0.066213      2.000000
  0.066213 -0.066213  0.066213      2.000000
  0.110355 -0.066213  0.066213      2.000000
  0.154497 -0.066213  0.066213      2.000000
 -0.154497 -0.066213  0.066213      2.000000
 -0.110355 -0.066213  0.066213      2.000000
 -0.066213 -0.066213  0.066213      2.000000
 -0.022071 -0.066213  0.066213      2.000000
  0.022071 -0.022071  0.066213      2.000000
  0.066213 -0.022071  0.066213      2.000000
  0.110355 -0.022071  0.066213      2.000000
  0.154497 -0.022071  0.066213      2.000000
 -0.154497 -0.022071  0.066213      2.000000
 -0.110355 -0.022071  0.066213      2.000000
 -0.066213 -0.022071  0.066213      2.000000
 -0.022071 -0.022071  0.066213      2.000000
  0.022071  0.022071  0.110355      2.000000
  0.066213  0.022071  0.110355      2.000000
  0.110355  0.022071  0.110355      2.000000
  0.154497  0.022071  0.110355      2.000000
 -0.154497  0.022071  0.110355      2.000000
 -0.110355  0.022071  0.110355      2.000000
 -0.066213  0.022071  0.110355      2.000000
 -0.022071  0.022071  0.110355      2.000000
  0.022071  0.066213  0.110355      2.000000
  0.066213  0.066213  0.110355      2.000000
  0.110355  0.066213  0.110355      2.000000
  0.154497  0.066213  0.110355      2.000000
 -0.154497  0.066213  0.110355      2.000000
 -0.110355  0.066213  0.110355      2.000000
 -0.066213  0.066213  0.110355      2.000000
 -0.022071  0.066213  0.110355      2.000000
  0.022071  0.110355  0.110355      2.000000
  0.066213  0.110355  0.110355      2.000000
  0.110355  0.110355  0.110355      2.000000
  0.154497  0.110355  0.110355      2.000000
 -0.154497  0.110355  0.110355      2.000000
 -0.110355  0.110355  0.110355      2.000000
 -0.066213  0.110355  0.110355      2.000000
 -0.022071  0.110355  0.110355      2.000000
  0.022071  0.154497  0.110355      2.000000
  0.066213  0.154497  0.110355      2.000000
  0.110355  0.154497  0.110355      2.000000
  0.154497  0.154497  0.110355      2.000000
 -0.154497  0.154497  0.110355      2.000000
 -0.110355  0.154497  0.110355      2.000000
 -0.066213  0.154497  0.110355      2.000000
 -0.022071  0.154497  0.110355      2.000000
  0.022071 -0.154497  0.110355      2.000000
  0.066213 -0.154497  0.110355      2.000000
  0.110355 -0.154497  0.110355      2.000000
  0.154497 -0.154497  0.110355      2.000000
 -0.154497 -0.154497  0.110355      2.000000
 -0.110355 -0.154497  0.110355      2.000000
 -0.066213 -0.154497  0.110355      2.000000
 -0.022071 -0.154497  0.110355      2.000000
  0.022071 -0.110355  0.110355      2.000000
  0.066213 -0.110355  0.110355      2.000000
  0.110355 -0.110355  0.110355      2.000000
  0.154497 -0.110355  0.110355      2.000000
 -0.154497 -0.110355  0.110355      2.000000
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 -0.066213 -0.110355  0.110355      2.000000
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  0.022071 -0.066213  0.110355      2.000000
  0.066213 -0.066213  0.110355      2.000000
  0.110355 -0.066213  0.110355      2.000000
  0.154497 -0.066213  0.110355      2.000000
 -0.154497 -0.066213  0.110355      2.000000
 -0.110355 -0.066213  0.110355      2.000000
 -0.066213 -0.066213  0.110355      2.000000
 -0.022071 -0.066213  0.110355      2.000000
  0.022071 -0.022071  0.110355      2.000000
  0.066213 -0.022071  0.110355      2.000000
  0.110355 -0.022071  0.110355      2.000000
  0.154497 -0.022071  0.110355      2.000000
 -0.154497 -0.022071  0.110355      2.000000
 -0.110355 -0.022071  0.110355      2.000000
 -0.066213 -0.022071  0.110355      2.000000
 -0.022071 -0.022071  0.110355      2.000000
  0.022071  0.022071  0.154497      2.000000
  0.066213  0.022071  0.154497      2.000000
  0.110355  0.022071  0.154497      2.000000
  0.154497  0.022071  0.154497      2.000000
 -0.154497  0.022071  0.154497      2.000000
 -0.110355  0.022071  0.154497      2.000000
 -0.066213  0.022071  0.154497      2.000000
 -0.022071  0.022071  0.154497      2.000000
  0.022071  0.066213  0.154497      2.000000
  0.066213  0.066213  0.154497      2.000000
  0.110355  0.066213  0.154497      2.000000
  0.154497  0.066213  0.154497      2.000000
 -0.154497  0.066213  0.154497      2.000000
 -0.110355  0.066213  0.154497      2.000000
 -0.066213  0.066213  0.154497      2.000000
 -0.022071  0.066213  0.154497      2.000000
  0.022071  0.110355  0.154497      2.000000
  0.066213  0.110355  0.154497      2.000000
  0.110355  0.110355  0.154497      2.000000
  0.154497  0.110355  0.154497      2.000000
 -0.154497  0.110355  0.154497      2.000000
 -0.110355  0.110355  0.154497      2.000000
 -0.066213  0.110355  0.154497      2.000000
 -0.022071  0.110355  0.154497      2.000000
  0.022071  0.154497  0.154497      2.000000
  0.066213  0.154497  0.154497      2.000000
  0.110355  0.154497  0.154497      2.000000
  0.154497  0.154497  0.154497      2.000000
 -0.154497  0.154497  0.154497      2.000000
 -0.110355  0.154497  0.154497      2.000000
 -0.066213  0.154497  0.154497      2.000000
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  0.022071 -0.154497  0.154497      2.000000
  0.066213 -0.154497  0.154497      2.000000
  0.110355 -0.154497  0.154497      2.000000
  0.154497 -0.154497  0.154497      2.000000
 -0.154497 -0.154497  0.154497      2.000000
 -0.110355 -0.154497  0.154497      2.000000
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 -0.022071 -0.154497  0.154497      2.000000
  0.022071 -0.110355  0.154497      2.000000
  0.066213 -0.110355  0.154497      2.000000
  0.110355 -0.110355  0.154497      2.000000
  0.154497 -0.110355  0.154497      2.000000
 -0.154497 -0.110355  0.154497      2.000000
 -0.110355 -0.110355  0.154497      2.000000
 -0.066213 -0.110355  0.154497      2.000000
 -0.022071 -0.110355  0.154497      2.000000
  0.022071 -0.066213  0.154497      2.000000
  0.066213 -0.066213  0.154497      2.000000
  0.110355 -0.066213  0.154497      2.000000
  0.154497 -0.066213  0.154497      2.000000
 -0.154497 -0.066213  0.154497      2.000000
 -0.110355 -0.066213  0.154497      2.000000
 -0.066213 -0.066213  0.154497      2.000000
 -0.022071 -0.066213  0.154497      2.000000
  0.022071 -0.022071  0.154497      2.000000
  0.066213 -0.022071  0.154497      2.000000
  0.110355 -0.022071  0.154497      2.000000
  0.154497 -0.022071  0.154497      2.000000
 -0.154497 -0.022071  0.154497      2.000000
 -0.110355 -0.022071  0.154497      2.000000
 -0.066213 -0.022071  0.154497      2.000000
 -0.022071 -0.022071  0.154497      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=     16
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  21883
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   48
   support grid    NGXF=    48 NGYF=   48 NGZF=   48
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  14.09, 14.09, 14.09 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  28.18, 28.18, 28.18 a.u.

 SYSTEM =  Fe                                      
 POSCAR =  Fe                                      

 Startparameter for this run:
   NWRITE =      0    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      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.   5.16  5.16  5.16*2*pi/ulx,y,z
   ENINI  =  500.0     initial cutoff
   ENAUG  =  511.4 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
 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 =      0    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=  -0.183E-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 =  55.85
  Ionic Valenz
   ZVAL   =   8.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      16.0000    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 =  0.16E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      11.35        76.62
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.456764  2.752886 28.873775  2.122163
  Thomas-Fermi vector in A             =   2.573645
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    --    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
 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 :       22.71
      direct lattice vectors                 reciprocal lattice vectors
     2.831775588  0.000000000  0.000000000     0.353135328  0.000000000  0.000000000
     0.000000000  2.831775588  0.000000000     0.000000000  0.353135328  0.000000000
     0.000000000  0.000000000  2.831775588     0.000000000  0.000000000  0.353135328

  length of vectors
     2.831775588  2.831775588  2.831775588     0.353135328  0.353135328  0.353135328


 
 k-points in units of 2pi/SCALE and weight: kptsfl                                  
   0.02207096  0.02207096  0.02207096       0.004
   0.06621287  0.02207096  0.02207096       0.004
   0.11035479  0.02207096  0.02207096       0.004
   0.15449671  0.02207096  0.02207096       0.004
  -0.15449671  0.02207096  0.02207096       0.004
  -0.11035479  0.02207096  0.02207096       0.004
  -0.06621287  0.02207096  0.02207096       0.004
  -0.02207096  0.02207096  0.02207096       0.004
   0.02207096  0.06621287  0.02207096       0.004
   0.06621287  0.06621287  0.02207096       0.004
   0.11035479  0.06621287  0.02207096       0.004
   0.15449671  0.06621287  0.02207096       0.004
  -0.15449671  0.06621287  0.02207096       0.004
  -0.11035479  0.06621287  0.02207096       0.004
  -0.06621287  0.06621287  0.02207096       0.004
  -0.02207096  0.06621287  0.02207096       0.004
   0.02207096  0.11035479  0.02207096       0.004
   0.06621287  0.11035479  0.02207096       0.004
   0.11035479  0.11035479  0.02207096       0.004
   0.15449671  0.11035479  0.02207096       0.004
  -0.15449671  0.11035479  0.02207096       0.004
  -0.11035479  0.11035479  0.02207096       0.004
  -0.06621287  0.11035479  0.02207096       0.004
  -0.02207096  0.11035479  0.02207096       0.004
   0.02207096  0.15449671  0.02207096       0.004
   0.06621287  0.15449671  0.02207096       0.004
   0.11035479  0.15449671  0.02207096       0.004
   0.15449671  0.15449671  0.02207096       0.004
  -0.15449671  0.15449671  0.02207096       0.004
  -0.11035479  0.15449671  0.02207096       0.004
  -0.06621287  0.15449671  0.02207096       0.004
  -0.02207096  0.15449671  0.02207096       0.004
   0.02207096 -0.15449671  0.02207096       0.004
   0.06621287 -0.15449671  0.02207096       0.004
   0.11035479 -0.15449671  0.02207096       0.004
   0.15449671 -0.15449671  0.02207096       0.004
  -0.15449671 -0.15449671  0.02207096       0.004
  -0.11035479 -0.15449671  0.02207096       0.004
  -0.06621287 -0.15449671  0.02207096       0.004
  -0.02207096 -0.15449671  0.02207096       0.004
   0.02207096 -0.11035479  0.02207096       0.004
   0.06621287 -0.11035479  0.02207096       0.004
   0.11035479 -0.11035479  0.02207096       0.004
   0.15449671 -0.11035479  0.02207096       0.004
  -0.15449671 -0.11035479  0.02207096       0.004
  -0.11035479 -0.11035479  0.02207096       0.004
  -0.06621287 -0.11035479  0.02207096       0.004
  -0.02207096 -0.11035479  0.02207096       0.004
   0.02207096 -0.06621287  0.02207096       0.004
   0.06621287 -0.06621287  0.02207096       0.004
   0.11035479 -0.06621287  0.02207096       0.004
   0.15449671 -0.06621287  0.02207096       0.004
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 k-points in reciprocal lattice and weights: kptsfl                                  
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 position of ions in fractional coordinates (direct lattice) 
   0.50000000  0.50000000  0.50000000
   0.00000000  0.00000000  0.00000000
 
 position of ions in cartesian coordinates  (Angst):
   1.41588779  1.41588779  1.41588779
   0.00000000  0.00000000  0.00000000
 


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


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 k-point ** :  -0.3125-0.3125 0.3125  plane waves:     582
 k-point ** :  -0.1875-0.3125 0.3125  plane waves:     580
 k-point ** :  -0.0625-0.3125 0.3125  plane waves:     576
 k-point ** :   0.0625-0.1875 0.3125  plane waves:     574
 k-point ** :   0.1875-0.1875 0.3125  plane waves:     574
 k-point ** :   0.3125-0.1875 0.3125  plane waves:     580
 k-point ** :   0.4375-0.1875 0.3125  plane waves:     576
 k-point ** :  -0.4375-0.1875 0.3125  plane waves:     576
 k-point ** :  -0.3125-0.1875 0.3125  plane waves:     580
 k-point ** :  -0.1875-0.1875 0.3125  plane waves:     574
 k-point ** :  -0.0625-0.1875 0.3125  plane waves:     574
 k-point ** :   0.0625-0.0625 0.3125  plane waves:     575
 k-point ** :   0.1875-0.0625 0.3125  plane waves:     574
 k-point ** :   0.3125-0.0625 0.3125  plane waves:     576
 k-point ** :   0.4375-0.0625 0.3125  plane waves:     577
 k-point ** :  -0.4375-0.0625 0.3125  plane waves:     577
 k-point ** :  -0.3125-0.0625 0.3125  plane waves:     576
 k-point ** :  -0.1875-0.0625 0.3125  plane waves:     574
 k-point ** :  -0.0625-0.0625 0.3125  plane waves:     575
 k-point ** :   0.0625 0.0625 0.4375  plane waves:     578
 k-point ** :   0.1875 0.0625 0.4375  plane waves:     578
 k-point ** :   0.3125 0.0625 0.4375  plane waves:     577
 k-point ** :   0.4375 0.0625 0.4375  plane waves:     572
 k-point ** :  -0.4375 0.0625 0.4375  plane waves:     572
 k-point ** :  -0.3125 0.0625 0.4375  plane waves:     577
 k-point ** :  -0.1875 0.0625 0.4375  plane waves:     578
 k-point ** :  -0.0625 0.0625 0.4375  plane waves:     578
 k-point ** :   0.0625 0.1875 0.4375  plane waves:     578
 k-point ** :   0.1875 0.1875 0.4375  plane waves:     574
 k-point ** :   0.3125 0.1875 0.4375  plane waves:     576
 k-point ** :   0.4375 0.1875 0.4375  plane waves:     580
 k-point ** :  -0.4375 0.1875 0.4375  plane waves:     580
 k-point ** :  -0.3125 0.1875 0.4375  plane waves:     576
 k-point ** :  -0.1875 0.1875 0.4375  plane waves:     574
 k-point ** :  -0.0625 0.1875 0.4375  plane waves:     578
 k-point ** :   0.0625 0.3125 0.4375  plane waves:     577
 k-point ** :   0.1875 0.3125 0.4375  plane waves:     576
 k-point ** :   0.3125 0.3125 0.4375  plane waves:     581
 k-point ** :   0.4375 0.3125 0.4375  plane waves:     586
 k-point ** :  -0.4375 0.3125 0.4375  plane waves:     586
 k-point ** :  -0.3125 0.3125 0.4375  plane waves:     581
 k-point ** :  -0.1875 0.3125 0.4375  plane waves:     576
 k-point ** :  -0.0625 0.3125 0.4375  plane waves:     577
 k-point ** :   0.0625 0.4375 0.4375  plane waves:     572
 k-point ** :   0.1875 0.4375 0.4375  plane waves:     580
 k-point ** :   0.3125 0.4375 0.4375  plane waves:     586
 k-point ** :   0.4375 0.4375 0.4375  plane waves:     588
 k-point ** :  -0.4375 0.4375 0.4375  plane waves:     588
 k-point ** :  -0.3125 0.4375 0.4375  plane waves:     586
 k-point ** :  -0.1875 0.4375 0.4375  plane waves:     580
 k-point ** :  -0.0625 0.4375 0.4375  plane waves:     572
 k-point ** :   0.0625-0.4375 0.4375  plane waves:     572
 k-point ** :   0.1875-0.4375 0.4375  plane waves:     580
 k-point ** :   0.3125-0.4375 0.4375  plane waves:     586
 k-point ** :   0.4375-0.4375 0.4375  plane waves:     588
 k-point ** :  -0.4375-0.4375 0.4375  plane waves:     588
 k-point ** :  -0.3125-0.4375 0.4375  plane waves:     586
 k-point ** :  -0.1875-0.4375 0.4375  plane waves:     580
 k-point ** :  -0.0625-0.4375 0.4375  plane waves:     572
 k-point ** :   0.0625-0.3125 0.4375  plane waves:     577
 k-point ** :   0.1875-0.3125 0.4375  plane waves:     576
 k-point ** :   0.3125-0.3125 0.4375  plane waves:     581
 k-point ** :   0.4375-0.3125 0.4375  plane waves:     586
 k-point ** :  -0.4375-0.3125 0.4375  plane waves:     586
 k-point ** :  -0.3125-0.3125 0.4375  plane waves:     581
 k-point ** :  -0.1875-0.3125 0.4375  plane waves:     576
 k-point ** :  -0.0625-0.3125 0.4375  plane waves:     577
 k-point ** :   0.0625-0.1875 0.4375  plane waves:     578
 k-point ** :   0.1875-0.1875 0.4375  plane waves:     574
 k-point ** :   0.3125-0.1875 0.4375  plane waves:     576
 k-point ** :   0.4375-0.1875 0.4375  plane waves:     580
 k-point ** :  -0.4375-0.1875 0.4375  plane waves:     580
 k-point ** :  -0.3125-0.1875 0.4375  plane waves:     576
 k-point ** :  -0.1875-0.1875 0.4375  plane waves:     574
 k-point ** :  -0.0625-0.1875 0.4375  plane waves:     578
 k-point ** :   0.0625-0.0625 0.4375  plane waves:     578
 k-point ** :   0.1875-0.0625 0.4375  plane waves:     578
 k-point ** :   0.3125-0.0625 0.4375  plane waves:     577
 k-point ** :   0.4375-0.0625 0.4375  plane waves:     572
 k-point ** :  -0.4375-0.0625 0.4375  plane waves:     572
 k-point ** :  -0.3125-0.0625 0.4375  plane waves:     577
 k-point ** :  -0.1875-0.0625 0.4375  plane waves:     578
 k-point ** :  -0.0625-0.0625 0.4375  plane waves:     578

 maximum number of plane-waves:       588
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=    5
   IXMIN=   -5   IYMIN=   -5   IZMIN=   -5


 total amount of memory used by VASP MPI-rank0   142889. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      21694. kBytes
   grid      :       9345. kBytes
   one-center:         62. kBytes
   wavefun   :      81788. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 11   NGY = 11   NGZ = 11
  (NGX  = 48   NGY  = 48   NGZ  = 48)
  gives a total of   1331 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      16.0000000 magnetization       6.0000000
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges        21079 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.626
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0011: real time    0.0011


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


    POTLOK:  cpu time    0.0786: real time    0.1325
    SETDIJ:  cpu time    0.0142: real time    0.0142
     EDDAV:  cpu time   11.6714: real time   11.7016
 BZINTS: Fermi energy: 16.475290; 16.000000 electrons
         Band energy: 173.623295;  BLOECHL correction: -0.377653
       DOS:  cpu time    0.0551: real time    0.0553
    --------------------------------------------
      LOOP:  cpu time   11.8193: real time   11.9036

 eigenvalue-minimisations  : 17160
 total energy-change (2. order) : 0.7134201E+02  (-0.7651848E+03)
 number of electron      16.0000000 magnetization       6.0000000
 augmentation part       16.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -222.98507623
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        10.15561517
  PAW double counting   =      1107.51853371    -1122.97057422
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =       173.62329545
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        71.34201450 eV

  energy without entropy =       71.34201450  energy(sigma->0) =       71.34201450


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




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


     EDDAV:  cpu time   10.9217: real time   10.9494
 BZINTS: Fermi energy:  8.318906; 16.000000 electrons
         Band energy:  85.976845;  BLOECHL correction: -0.039770
       DOS:  cpu time    0.0561: real time    0.0563
    --------------------------------------------
      LOOP:  cpu time   10.9778: real time   11.0056

 eigenvalue-minimisations  : 16408
 total energy-change (2. order) :-0.8764645E+02  (-0.7925961E+02)
 number of electron      16.0000000 magnetization       6.0000000
 augmentation part       16.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -222.98507623
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        10.15561517
  PAW double counting   =      1107.51853371    -1122.97057422
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        85.97684498
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.30443596 eV

  energy without entropy =      -16.30443596  energy(sigma->0) =      -16.30443596


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




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


     EDDAV:  cpu time   12.8165: real time   12.8479
 BZINTS: Fermi energy:  8.121664; 16.000000 electrons
         Band energy:  84.035439;  BLOECHL correction: -0.044725
       DOS:  cpu time    0.0562: real time    0.0563
    --------------------------------------------
      LOOP:  cpu time   12.8727: real time   12.9042

 eigenvalue-minimisations  : 20016
 total energy-change (2. order) :-0.1941406E+01  (-0.1901087E+01)
 number of electron      16.0000000 magnetization       6.0000000
 augmentation part       16.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -222.98507623
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        10.15561517
  PAW double counting   =      1107.51853371    -1122.97057422
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        84.03543893
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.24584201 eV

  energy without entropy =      -18.24584201  energy(sigma->0) =      -18.24584201


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




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


     EDDAV:  cpu time   12.6744: real time   12.7104
 BZINTS: Fermi energy:  8.121086; 16.000000 electrons
         Band energy:  84.023673;  BLOECHL correction: -0.044736
       DOS:  cpu time    0.0517: real time    0.0518
    --------------------------------------------
      LOOP:  cpu time   12.7261: real time   12.7622

 eigenvalue-minimisations  : 18936
 total energy-change (2. order) :-0.1176641E-01  (-0.1175819E-01)
 number of electron      16.0000000 magnetization       6.0000000
 augmentation part       16.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -222.98507623
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        10.15561517
  PAW double counting   =      1107.51853371    -1122.97057422
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        84.02367252
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.25760842 eV

  energy without entropy =      -18.25760842  energy(sigma->0) =      -18.25760842


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




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


     EDDAV:  cpu time   13.0024: real time   13.0342
 BZINTS: Fermi energy:  8.121083; 16.000000 electrons
         Band energy:  84.023514;  BLOECHL correction: -0.044736
       DOS:  cpu time    0.0552: real time    0.0554
    CHARGE:  cpu time    0.7994: real time    0.8014
    MIXING:  cpu time    0.0015: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time   13.8585: real time   13.8925

 eigenvalue-minimisations  : 20376
 total energy-change (2. order) :-0.1581765E-03  (-0.1583007E-03)
 number of electron      16.0000013 magnetization       3.7413873
 augmentation part        7.2498333 magnetization       2.5215718

 Broyden mixing:
  rms(total) = 0.16260E+01    rms(broyden)= 0.16259E+01
  rms(prec ) = 0.35978E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -222.98507623
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        10.15561517
  PAW double counting   =      1107.51853371    -1122.97057422
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        84.02351434
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.25776660 eV

  energy without entropy =      -18.25776660  energy(sigma->0) =      -18.25776660


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




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


    POTLOK:  cpu time    0.0762: real time    0.0764
    SETDIJ:  cpu time    0.0137: real time    0.0137
     EDDAV:  cpu time   12.2710: real time   12.3011
 BZINTS: Fermi energy:  5.321706; 16.000000 electrons
         Band energy:  50.801238;  BLOECHL correction: -0.047284
       DOS:  cpu time    0.0508: real time    0.0509
    CHARGE:  cpu time    0.8158: real time    0.8178
    MIXING:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time   13.2295: real time   13.2619

 eigenvalue-minimisations  : 17912
 total energy-change (2. order) : 0.1650405E+01  (-0.9498875E+00)
 number of electron      16.0000014 magnetization       4.2448534
 augmentation part        8.5531132 magnetization       3.4893320

 Broyden mixing:
  rms(total) = 0.75344E+00    rms(broyden)= 0.75342E+00
  rms(prec ) = 0.91180E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6749
  0.6749

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.89297471
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         7.82520204
  PAW double counting   =      1217.87140104    -1229.21244959
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        50.80123850
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.60736209 eV

  energy without entropy =      -16.60736209  energy(sigma->0) =      -16.60736209


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




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


    POTLOK:  cpu time    0.0773: real time    0.0778
    SETDIJ:  cpu time    0.0137: real time    0.0137
     EDDAV:  cpu time   12.2606: real time   12.2906
 BZINTS: Fermi energy:  5.873016; 16.000000 electrons
         Band energy:  57.841280;  BLOECHL correction: -0.046087
       DOS:  cpu time    0.0554: real time    0.0555
    CHARGE:  cpu time    0.7991: real time    0.8011
    MIXING:  cpu time    0.0016: real time    0.0016
    --------------------------------------------
      LOOP:  cpu time   13.2077: real time   13.2402

 eigenvalue-minimisations  : 18632
 total energy-change (2. order) : 0.1085813E+00  (-0.7005699E-01)
 number of electron      16.0000014 magnetization       4.2965926
 augmentation part        8.2495045 magnetization       3.5538531

 Broyden mixing:
  rms(total) = 0.46126E+00    rms(broyden)= 0.46126E+00
  rms(prec ) = 0.52962E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7790
  1.0108  0.5471

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -194.09835545
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.61947741
  PAW double counting   =      1297.33781170    -1312.19921478
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        57.84127971
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.49878078 eV

  energy without entropy =      -16.49878078  energy(sigma->0) =      -16.49878078


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




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


    POTLOK:  cpu time    0.0852: real time    0.0854
    SETDIJ:  cpu time    0.0167: real time    0.0167
     EDDAV:  cpu time   13.8351: real time   13.8690
 BZINTS: Fermi energy:  5.833223; 16.000000 electrons
         Band energy:  57.464455;  BLOECHL correction: -0.047156
       DOS:  cpu time    0.0538: real time    0.0539
    CHARGE:  cpu time    0.8172: real time    0.8193
    MIXING:  cpu time    0.0016: real time    0.0016
    --------------------------------------------
      LOOP:  cpu time   14.8096: real time   14.8459

 eigenvalue-minimisations  : 21128
 total energy-change (2. order) : 0.1164652E-01  (-0.1357393E-02)
 number of electron      16.0000014 magnetization       4.3608534
 augmentation part        8.2643205 magnetization       3.6206816

 Broyden mixing:
  rms(total) = 0.19074E+00    rms(broyden)= 0.19074E+00
  rms(prec ) = 0.25883E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1055
  1.9495  0.7002  0.6667

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -192.58400075
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.61317928
  PAW double counting   =      1342.26185261    -1358.24284114
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        57.46445511
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.48713426 eV

  energy without entropy =      -16.48713426  energy(sigma->0) =      -16.48713426


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




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


    POTLOK:  cpu time    0.0745: real time    0.1026
    SETDIJ:  cpu time    0.0139: real time    0.0140
     EDDAV:  cpu time   14.7829: real time   14.8416
 BZINTS: Fermi energy:  5.768482; 16.000000 electrons
         Band energy:  56.712721;  BLOECHL correction: -0.051054
       DOS:  cpu time    0.0565: real time    0.0567
    CHARGE:  cpu time    0.7948: real time    0.7968
    MIXING:  cpu time    0.0017: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   15.7244: real time   15.8133

 eigenvalue-minimisations  : 23624
 total energy-change (2. order) : 0.1092812E-01  (-0.5543850E-03)
 number of electron      16.0000014 magnetization       4.3482392
 augmentation part        8.3009629 magnetization       3.6042350

 Broyden mixing:
  rms(total) = 0.40588E-01    rms(broyden)= 0.40587E-01
  rms(prec ) = 0.43434E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2795
  2.5635  1.1334  0.8008  0.6202

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.99430422
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.61886341
  PAW double counting   =      1420.16504069    -1437.97874719
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.71272055
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47620614 eV

  energy without entropy =      -16.47620614  energy(sigma->0) =      -16.47620614


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




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


    POTLOK:  cpu time    0.0759: real time    0.0761
    SETDIJ:  cpu time    0.0134: real time    0.0135
     EDDAV:  cpu time   12.7902: real time   12.8220
 BZINTS: Fermi energy:  5.791172; 16.000000 electrons
         Band energy:  56.973393;  BLOECHL correction: -0.050874
       DOS:  cpu time    0.0544: real time    0.0546
    CHARGE:  cpu time    0.8023: real time    0.8043
    MIXING:  cpu time    0.0017: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   13.7380: real time   13.7722

 eigenvalue-minimisations  : 19744
 total energy-change (2. order) : 0.1469517E-03  (-0.2271695E-03)
 number of electron      16.0000014 magnetization       4.3428119
 augmentation part        8.2901912 magnetization       3.5929360

 Broyden mixing:
  rms(total) = 0.16657E-01    rms(broyden)= 0.16657E-01
  rms(prec ) = 0.31508E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1816
  2.5185  1.2173  0.6431  0.6431  0.8859

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.74298648
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.58490135
  PAW double counting   =      1441.43225078    -1459.72383798
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.97339252
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47605918 eV

  energy without entropy =      -16.47605918  energy(sigma->0) =      -16.47605918


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




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


    POTLOK:  cpu time    0.0754: real time    0.0756
    SETDIJ:  cpu time    0.0140: real time    0.0141
     EDDAV:  cpu time   13.7722: real time   13.8071
 BZINTS: Fermi energy:  5.788392; 16.000000 electrons
         Band energy:  56.934766;  BLOECHL correction: -0.050784
       DOS:  cpu time    0.0674: real time    0.0676
    CHARGE:  cpu time    0.8194: real time    0.8215
    MIXING:  cpu time    0.0021: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time   14.7505: real time   14.7879

 eigenvalue-minimisations  : 21920
 total energy-change (2. order) :-0.1663340E-04  (-0.9998013E-04)
 number of electron      16.0000014 magnetization       4.3360624
 augmentation part        8.2916254 magnetization       3.5866248

 Broyden mixing:
  rms(total) = 0.18770E-01    rms(broyden)= 0.18770E-01
  rms(prec ) = 0.49791E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0305
  2.4864  1.2621  0.9423  0.6670  0.6670  0.1579

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.74370034
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57878881
  PAW double counting   =      1440.63326671    -1458.87941741
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.93476578
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47607582 eV

  energy without entropy =      -16.47607582  energy(sigma->0) =      -16.47607582


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




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


    POTLOK:  cpu time    0.0909: real time    0.0920
    SETDIJ:  cpu time    0.0169: real time    0.0171
     EDDAV:  cpu time   15.8029: real time   15.8670
 BZINTS: Fermi energy:  5.783979; 16.000000 electrons
         Band energy:  56.874851;  BLOECHL correction: -0.050787
       DOS:  cpu time    0.0552: real time    0.0554
    CHARGE:  cpu time    0.8006: real time    0.8026
    MIXING:  cpu time    0.0017: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   16.7683: real time   16.8357

 eigenvalue-minimisations  : 22424
 total energy-change (2. order) : 0.1657786E-03  (-0.4733021E-04)
 number of electron      16.0000014 magnetization       4.3337755
 augmentation part        8.2940742 magnetization       3.5848842

 Broyden mixing:
  rms(total) = 0.36210E-02    rms(broyden)= 0.36209E-02
  rms(prec ) = 0.39862E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0056
  2.3929  1.2544  1.1206  0.7709  0.6741  0.6741  0.1526

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.75823582
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57238289
  PAW double counting   =      1438.68304215    -1456.84817066
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.87485077
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47591004 eV

  energy without entropy =      -16.47591004  energy(sigma->0) =      -16.47591004


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




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


    POTLOK:  cpu time    0.0747: real time    0.0987
    SETDIJ:  cpu time    0.0137: real time    0.0138
     EDDAV:  cpu time   11.7013: real time   11.7304
 BZINTS: Fermi energy:  5.783173; 16.000000 electrons
         Band energy:  56.864290;  BLOECHL correction: -0.050829
       DOS:  cpu time    0.0554: real time    0.0555
    CHARGE:  cpu time    0.7922: real time    0.7942
    MIXING:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time   12.6393: real time   12.6945

 eigenvalue-minimisations  : 17336
 total energy-change (2. order) :-0.3843239E-04  (-0.2230109E-05)
 number of electron      16.0000014 magnetization       4.3368269
 augmentation part        8.2944977 magnetization       3.5880064

 Broyden mixing:
  rms(total) = 0.15478E-02    rms(broyden)= 0.15478E-02
  rms(prec ) = 0.20654E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1156
  2.4621  1.7700  1.4654  1.0165  0.7005  0.7005  0.6574  0.1522

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78289753
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57201019
  PAW double counting   =      1438.21691185    -1456.34648348
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86428987
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594847 eV

  energy without entropy =      -16.47594847  energy(sigma->0) =      -16.47594847


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




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


    POTLOK:  cpu time    0.0773: real time    0.0775
    SETDIJ:  cpu time    0.0141: real time    0.0141
     EDDAV:  cpu time   11.5184: real time   11.5471
 BZINTS: Fermi energy:  5.783252; 16.000000 electrons
         Band energy:  56.865735;  BLOECHL correction: -0.050832
       DOS:  cpu time    0.0552: real time    0.0553
    CHARGE:  cpu time    0.8019: real time    0.8039
    MIXING:  cpu time    0.0019: real time    0.0019
    --------------------------------------------
      LOOP:  cpu time   12.4689: real time   12.4998

 eigenvalue-minimisations  : 17392
 total energy-change (2. order) :-0.4035323E-05  (-0.5151898E-06)
 number of electron      16.0000014 magnetization       4.3348265
 augmentation part        8.2944510 magnetization       3.5859918

 Broyden mixing:
  rms(total) = 0.10558E-02    rms(broyden)= 0.10558E-02
  rms(prec ) = 0.12831E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1317
  2.5105  2.5105  1.1071  1.1071  0.6648  0.7145  0.7094  0.7094  0.1522

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78398340
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57569359
  PAW double counting   =      1439.28329681    -1457.41691513
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86573499
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47595251 eV

  energy without entropy =      -16.47595251  energy(sigma->0) =      -16.47595251


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




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


    POTLOK:  cpu time    0.0780: real time    0.0782
    SETDIJ:  cpu time    0.0144: real time    0.0144
     EDDAV:  cpu time   11.9414: real time   11.9711
 BZINTS: Fermi energy:  5.783438; 16.000000 electrons
         Band energy:  56.867398;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0552: real time    0.0553
    CHARGE:  cpu time    0.7972: real time    0.7992
    MIXING:  cpu time    0.0019: real time    0.0019
    --------------------------------------------
      LOOP:  cpu time   12.8881: real time   12.9201

 eigenvalue-minimisations  : 18344
 total energy-change (2. order) : 0.7550800E-05  (-0.5898038E-07)
 number of electron      16.0000014 magnetization       4.3352449
 augmentation part        8.2943551 magnetization       3.5863890

 Broyden mixing:
  rms(total) = 0.50736E-03    rms(broyden)= 0.50734E-03
  rms(prec ) = 0.64026E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0903
  2.4816  2.4816  1.1935  0.9824  0.9824  0.7119  0.7119  0.6638  0.5423  0.1522

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78889378
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57349428
  PAW double counting   =      1439.28687812    -1457.41504233
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86739813
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594496 eV

  energy without entropy =      -16.47594496  energy(sigma->0) =      -16.47594496


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




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


    POTLOK:  cpu time    0.0748: real time    0.0750
    SETDIJ:  cpu time    0.0138: real time    0.0138
     EDDAV:  cpu time    7.5554: real time    7.5742
 BZINTS: Fermi energy:  5.783350; 16.000000 electrons
         Band energy:  56.866416;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0536: real time    0.0537
    CHARGE:  cpu time    0.7989: real time    0.8009
    MIXING:  cpu time    0.0021: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time    8.4986: real time    8.5197

 eigenvalue-minimisations  :  8616
 total energy-change (2. order) :-0.8682093E-06  (-0.2836046E-07)
 number of electron      16.0000014 magnetization       4.3354546
 augmentation part        8.2943990 magnetization       3.5866240

 Broyden mixing:
  rms(total) = 0.41511E-03    rms(broyden)= 0.41509E-03
  rms(prec ) = 0.56794E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1293
  2.5246  2.5246  1.2304  1.2876  1.0170  1.0170  0.7002  0.7002  0.6493  0.6194
  0.1522

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78728008
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57404763
  PAW double counting   =      1439.30227238    -1457.43162193
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86641555
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594582 eV

  energy without entropy =      -16.47594582  energy(sigma->0) =      -16.47594582


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




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


    POTLOK:  cpu time    0.0751: real time    0.0756
    SETDIJ:  cpu time    0.0166: real time    0.0166
     EDDAV:  cpu time    7.8682: real time    7.8875
 BZINTS: Fermi energy:  5.783290; 16.000000 electrons
         Band energy:  56.865789;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0562: real time    0.0563
    CHARGE:  cpu time    0.7963: real time    0.7983
    MIXING:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time    8.8144: real time    8.8363

 eigenvalue-minimisations  :  9632
 total energy-change (2. order) :-0.1578467E-06  (-0.3942484E-07)
 number of electron      16.0000014 magnetization       4.3354459
 augmentation part        8.2944305 magnetization       3.5866364

 Broyden mixing:
  rms(total) = 0.61519E-03    rms(broyden)= 0.61519E-03
  rms(prec ) = 0.79723E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1191
  2.5051  2.5051  1.1828  1.1828  1.2825  0.9759  0.9759  0.7014  0.7014  0.6350
  0.6291  0.1522

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78679351
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57440043
  PAW double counting   =      1439.32516009    -1457.45472213
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86578851
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594598 eV

  energy without entropy =      -16.47594598  energy(sigma->0) =      -16.47594598


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




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


    POTLOK:  cpu time    0.0741: real time    0.0743
    SETDIJ:  cpu time    0.0139: real time    0.0139
     EDDAV:  cpu time    9.1029: real time    9.1252
 BZINTS: Fermi energy:  5.783297; 16.000000 electrons
         Band energy:  56.865869;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0558: real time    0.0559
    CHARGE:  cpu time    0.7937: real time    0.7956
    MIXING:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time   10.0424: real time   10.0669

 eigenvalue-minimisations  : 11952
 total energy-change (2. order) : 0.1240505E-06  (-0.6125172E-07)
 number of electron      16.0000014 magnetization       4.3352375
 augmentation part        8.2944266 magnetization       3.5864223

 Broyden mixing:
  rms(total) = 0.25243E-03    rms(broyden)= 0.25242E-03
  rms(prec ) = 0.30919E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1256
  2.5982  2.4786  1.1463  1.1463  1.3615  1.2063  1.0110  0.8739  0.7055  0.7055
  0.6503  0.5975  0.1522

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78671797
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57434777
  PAW double counting   =      1439.32220634    -1457.45187201
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86586939
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594586 eV

  energy without entropy =      -16.47594586  energy(sigma->0) =      -16.47594586


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




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


    POTLOK:  cpu time    0.0734: real time    0.0735
    SETDIJ:  cpu time    0.0139: real time    0.0140
     EDDAV:  cpu time    7.2987: real time    7.3165
 BZINTS: Fermi energy:  5.783340; 16.000000 electrons
         Band energy:  56.866309;  BLOECHL correction: -0.050828
       DOS:  cpu time    0.0572: real time    0.0574
    CHARGE:  cpu time    0.7907: real time    0.7926
    MIXING:  cpu time    0.0021: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time    8.2359: real time    8.2561

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) :-0.1609874E-06  (-0.7866484E-08)
 number of electron      16.0000014 magnetization       4.3352321
 augmentation part        8.2944027 magnetization       3.5863991

 Broyden mixing:
  rms(total) = 0.10342E-03    rms(broyden)= 0.10341E-03
  rms(prec ) = 0.13339E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1336
  2.6952  2.4139  1.9425  1.1101  1.1101  1.2523  0.1522  0.9554  0.9554  0.6959
  0.6959  0.6692  0.6311  0.5918

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78719781
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57402610
  PAW double counting   =      1439.32024429    -1457.44954838
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86630915
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594602 eV

  energy without entropy =      -16.47594602  energy(sigma->0) =      -16.47594602


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




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


    POTLOK:  cpu time    0.0745: real time    0.0747
    SETDIJ:  cpu time    0.0137: real time    0.0137
     EDDAV:  cpu time    7.3619: real time    7.3799
 BZINTS: Fermi energy:  5.783339; 16.000000 electrons
         Band energy:  56.866288;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0535: real time    0.0536
    CHARGE:  cpu time    0.8042: real time    0.8062
    MIXING:  cpu time    0.0022: real time    0.0022
    --------------------------------------------
      LOOP:  cpu time    8.3099: real time    8.3302

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) : 0.1209428E-06  (-0.9484658E-09)
 number of electron      16.0000014 magnetization       4.3352482
 augmentation part        8.2944049 magnetization       3.5864183

 Broyden mixing:
  rms(total) = 0.61525E-04    rms(broyden)= 0.61524E-04
  rms(prec ) = 0.84269E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1564
  2.5931  2.4706  2.4706  1.1566  1.1566  1.2180  0.1522  1.0368  0.9043  0.9043
  0.6972  0.6972  0.6486  0.6486  0.5910

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78720540
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57402668
  PAW double counting   =      1439.31756611    -1457.44684185
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86628794
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594590 eV

  energy without entropy =      -16.47594590  energy(sigma->0) =      -16.47594590


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




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


    POTLOK:  cpu time    0.0745: real time    0.0747
    SETDIJ:  cpu time    0.0133: real time    0.0133
     EDDAV:  cpu time    7.3285: real time    7.3465
 BZINTS: Fermi energy:  5.783337; 16.000000 electrons
         Band energy:  56.866276;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0523: real time    0.0524
    CHARGE:  cpu time    0.7886: real time    0.7905
    MIXING:  cpu time    0.0024: real time    0.0024
    --------------------------------------------
      LOOP:  cpu time    8.2596: real time    8.2798

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) : 0.2022671E-06  (-0.8115386E-09)
 number of electron      16.0000014 magnetization       4.3352429
 augmentation part        8.2944058 magnetization       3.5864161

 Broyden mixing:
  rms(total) = 0.30713E-04    rms(broyden)= 0.30711E-04
  rms(prec ) = 0.38789E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1541
  2.5706  2.5706  2.4407  1.1541  1.1541  1.2439  0.1522  1.1528  1.0422  0.8822
  0.8255  0.6956  0.6956  0.6433  0.6433  0.5992

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78720100
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57405943
  PAW double counting   =      1439.31402928    -1457.44332967
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86627565
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594570 eV

  energy without entropy =      -16.47594570  energy(sigma->0) =      -16.47594570


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




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


    POTLOK:  cpu time    0.0736: real time    0.0742
    SETDIJ:  cpu time    0.0127: real time    0.0127
     EDDAV:  cpu time    7.3719: real time    7.3899
 BZINTS: Fermi energy:  5.783338; 16.000000 electrons
         Band energy:  56.866285;  BLOECHL correction: -0.050827
       DOS:  cpu time    0.0509: real time    0.0510
    --------------------------------------------
      LOOP:  cpu time    7.5091: real time    7.5278

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) :-0.4171102E-07  (-0.2703575E-09)
 number of electron      16.0000014 magnetization       4.3352429
 augmentation part        8.2944058 magnetization       3.5864161

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       121.74415284
  Ewald energy   TEWEN  =     -1184.36927309
  -Hartree energ DENC   =      -189.78721135
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         8.57405128
  PAW double counting   =      1439.31289422    -1457.44218554
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        56.86628503
  atomic energy  EATOM  =      1188.62534088
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.47594574 eV

  energy without entropy =      -16.47594574  energy(sigma->0) =      -16.47594574


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




 average (electrostatic) potential at core
  the test charge radii are     1.0103
  (the norm of the test charge is              1.0000)
       1 -43.3459       2 -43.3459
 
 
 
 E-fermi :   5.7833     XC(G=0): -13.1226     alpha+bet :-13.6521


 spin component 1

 k-point     1 :       0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.3554      1.00000
      2       1.0927      1.00000
      3       1.0929      1.00000
      4       3.4482      1.00000
      5       3.4524      1.00000
      6       3.6484      1.00000
      7       4.7199      1.00000
      8       4.7202      1.00000
      9       5.5546      1.00000
     10       5.8499      0.71512
     11       5.8541      0.00000
     12      15.3396      0.00000
     13      15.3429      0.00000
     14      15.7262      0.00000
     15      22.2677      0.00000
     16      22.2681      0.00000

 k-point     2 :       0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3502      1.00000
      3       1.3513      1.00000
      4       3.3640      1.00000
      5       3.4296      1.00000
      6       3.9122      1.00000
      7       4.4777      1.00000
      8       4.8388      1.00000
      9       4.9910      1.00000
     10       5.3908      1.01218
     11       5.8170      0.14466
     12      12.4736      0.00000
     13      16.4005      0.00000
     14      16.6779      0.00000
     15      22.5527      0.00000
     16      24.0206      0.00000

 k-point     3 :       0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.6002      1.00000
      2       1.6581      1.00000
      3       1.8313      1.00000
      4       3.3860      1.00000
      5       3.3950      1.00000
      6       4.0832      1.00000
      7       4.2814      1.00000
      8       4.3653      1.00000
      9       4.7624      1.00000
     10       5.0642      1.00000
     11       5.5470      1.13894
     12       9.3871      0.00000
     13      18.1604      0.00000
     14      18.4500      0.00000
     15      23.1991      0.00000
     16      24.5797      0.00000

 k-point     4 :       0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1       0.7133      1.00000
      2       1.5767      1.00000
      3       2.4547      1.00000
      4       3.0775      1.00000
      5       3.5838      1.00000
      6       3.8925      1.00000
      7       3.9297      1.00000
      8       4.2247      1.00000
      9       4.7129      1.00000
     10       5.1470      1.00000
     11       5.5743      1.03242
     12       6.9426      0.00000
     13      20.2348      0.00000
     14      20.6799      0.00000
     15      22.3654      0.00000
     16      23.2105      0.00000

 k-point     5 :      -0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1       0.7132      1.00000
      2       1.5768      1.00000
      3       2.4548      1.00000
      4       3.0773      1.00000
      5       3.5837      1.00000
      6       3.8925      1.00000
      7       3.9300      1.00000
      8       4.2246      1.00000
      9       4.7130      1.00000
     10       5.1469      1.00000
     11       5.5743      1.03242
     12       6.9427      0.00000
     13      20.2348      0.00000
     14      20.6798      0.00000
     15      22.3653      0.00000
     16      23.2105      0.00000

 k-point     6 :      -0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.6002      1.00000
      2       1.6582      1.00000
      3       1.8314      1.00000
      4       3.3857      1.00000
      5       3.3950      1.00000
      6       4.0834      1.00000
      7       4.2815      1.00000
      8       4.3653      1.00000
      9       4.7623      1.00000
     10       5.0643      1.00000
     11       5.5469      1.13904
     12       9.3871      0.00000
     13      18.1604      0.00000
     14      18.4499      0.00000
     15      23.1991      0.00000
     16      24.5797      0.00000

 k-point     7 :      -0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3503      1.00000
      3       1.3514      1.00000
      4       3.3640      1.00000
      5       3.4295      1.00000
      6       3.9122      1.00000
      7       4.4778      1.00000
      8       4.8388      1.00000
      9       4.9910      1.00000
     10       5.3908      1.01217
     11       5.8169      0.14482
     12      12.4737      0.00000
     13      16.4005      0.00000
     14      16.6778      0.00000
     15      22.5526      0.00000
     16      24.0206      0.00000

 k-point     8 :      -0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.3554      1.00000
      2       1.0927      1.00000
      3       1.0929      1.00000
      4       3.4480      1.00000
      5       3.4525      1.00000
      6       3.6484      1.00000
      7       4.7200      1.00000
      8       4.7202      1.00000
      9       5.5546      1.00000
     10       5.8497      0.71538
     11       5.8541      0.00000
     12      15.3398      0.00000
     13      15.3430      0.00000
     14      15.7261      0.00000
     15      22.2677      0.00000
     16      22.2681      0.00000

 k-point     9 :       0.0625    0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3502      1.00000
      3       1.3514      1.00000
      4       3.3641      1.00000
      5       3.4296      1.00000
      6       3.9121      1.00000
      7       4.4777      1.00000
      8       4.8388      1.00000
      9       4.9910      1.00000
     10       5.3909      1.01219
     11       5.8170      0.14472
     12      12.4736      0.00000
     13      16.4005      0.00000
     14      16.6778      0.00000
     15      22.5527      0.00000
     16      24.0205      0.00000

 k-point    10 :       0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.1516      1.00000
      2       1.5157      1.00000
      3       1.6592      1.00000
      4       3.1319      1.00000
      5       3.3287      1.00000
      6       4.3292      1.00000
      7       4.3403      1.00000
      8       4.5665      1.00000
      9       4.7749      1.00000
     10       5.0866      1.00135
     11       5.9204      0.01947
     12      12.6006      0.00000
     13      14.2073      0.00000
     14      17.4368      0.00000
     15      23.4469      0.00000
     16      24.6202      0.00000

 k-point    11 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7082      1.00000
      3       2.1345      1.00000
      4       3.0021      1.00000
      5       3.2676      1.00000
      6       3.7473      1.00000
      7       4.4202      1.00000
      8       4.6128      1.00000
      9       4.8105      1.00000
     10       4.9745      1.02760
     11       5.8418      0.21935
     12       9.9304      0.00000
     13      15.2131      0.00000
     14      18.9850      0.00000
     15      21.7977      0.00000
     16      24.0949      0.00000

 k-point    12 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1       0.9203      1.00000
      2       1.5828      1.00000
      3       2.6178      1.00000
      4       2.9494      1.00000
      5       3.2237      1.00000
      6       3.3771      1.00000
      7       4.3530      1.00000
      8       4.3817      1.00000
      9       5.1584      1.00000
     10       5.5477      1.03934
     11       5.6998      0.63962
     12       7.3519      0.00000
     13      17.0598      0.00000
     14      19.2617      0.00000
     15      20.9662      0.00000
     16      23.1941      0.00000

 k-point    13 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1       0.9204      1.00000
      2       1.5830      1.00000
      3       2.6178      1.00000
      4       2.9513      1.00000
      5       3.2233      1.00000
      6       3.3753      1.00000
      7       4.3532      1.00000
      8       4.3805      1.00000
      9       5.1567      1.00000
     10       5.5502      1.01166
     11       5.6996      0.57135
     12       7.3523      0.00000
     13      17.0595      0.00000
     14      19.2619      0.00000
     15      20.9665      0.00000
     16      23.1940      0.00000

 k-point    14 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.1413      1.00000
      2       1.7086      1.00000
      3       2.1346      1.00000
      4       3.0055      1.00000
      5       3.2650      1.00000
      6       3.7461      1.00000
      7       4.4203      1.00000
      8       4.6104      1.00000
      9       4.8094      1.00000
     10       4.9744      1.00000
     11       5.8446      0.22445
     12       9.9310      0.00000
     13      15.2126      0.00000
     14      18.9853      0.00000
     15      21.7978      0.00000
     16      24.0943      0.00000

 k-point    15 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.1514      1.00000
      2       1.5160      1.00000
      3       1.6592      1.00000
      4       3.1351      1.00000
      5       3.3264      1.00000
      6       4.3276      1.00000
      7       4.3398      1.00000
      8       4.5671      1.00000
      9       4.7749      1.00000
     10       5.0833      1.00000
     11       5.9235      0.08903
     12      12.6024      0.00000
     13      14.2055      0.00000
     14      17.4372      0.00000
     15      23.4463      0.00000
     16      24.6200      0.00000

 k-point    16 :      -0.0625    0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.7320      1.00000
      2       1.3502      1.00000
      3       1.3514      1.00000
      4       3.3682      1.00000
      5       3.4262      1.00000
      6       3.9112      1.00000
      7       4.4778      1.00000
      8       4.8388      1.00000
      9       4.9913      1.00000
     10       5.3875      1.00107
     11       5.8198      0.33337
     12      12.4741      0.00000
     13      16.3982      0.00000
     14      16.6799      0.00000
     15      22.5523      0.00000
     16      24.0211      0.00000

 k-point    17 :       0.0625    0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.6002      1.00000
      2       1.6581      1.00000
      3       1.8314      1.00000
      4       3.3860      1.00000
      5       3.3950      1.00000
      6       4.0832      1.00000
      7       4.2814      1.00000
      8       4.3653      1.00000
      9       4.7624      1.00000
     10       5.0642      1.00000
     11       5.5470      1.13899
     12       9.3871      0.00000
     13      18.1604      0.00000
     14      18.4500      0.00000
     15      23.1991      0.00000
     16      24.5797      0.00000

 k-point    18 :       0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7082      1.00000
      3       2.1345      1.00000
      4       3.0022      1.00000
      5       3.2676      1.00000
      6       3.7473      1.00000
      7       4.4202      1.00000
      8       4.6128      1.00000
      9       4.8105      1.00000
     10       4.9745      1.02760
     11       5.8418      0.21942
     12       9.9304      0.00000
     13      15.2131      0.00000
     14      18.9850      0.00000
     15      21.7977      0.00000
     16      24.0949      0.00000

 k-point    19 :       0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.5058      1.00000
      2       1.5614      1.00000
      3       2.7208      1.00000
      4       2.7766      1.00000
      5       3.1945      1.00000
      6       3.5320      1.00000
      7       4.4726      1.00000
      8       4.6693      1.00000
      9       4.8578      1.00000
     10       5.4121      1.11927
     11       5.9990      0.01813
     12       9.7353      0.00000
     13      13.4504      0.00000
     14      18.8287      0.00000
     15      20.2083      0.00000
     16      24.5985      0.00000

 k-point    20 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3024      1.00000
      3       2.6445      1.00000
      4       2.8052      1.00000
      5       3.4425      1.00000
      6       3.8342      1.00000
      7       4.5715      1.00000
      8       4.7092      1.00000
      9       5.2729      1.00000
     10       5.8593      0.47705
     11       6.1129     -0.02419
     12       7.7572      0.00000
     13      14.3434      0.00000
     14      16.2993      0.00000
     15      21.8467      0.00000
     16      23.6943      0.00000

 k-point    21 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3027      1.00000
      3       2.6476      1.00000
      4       2.8024      1.00000
      5       3.4429      1.00000
      6       3.8331      1.00000
      7       4.5701      1.00000
      8       4.7097      1.00000
      9       5.2710      1.00000
     10       5.8625      0.52108
     11       6.1121     -0.01203
     12       7.7579      0.00000
     13      14.3430      0.00000
     14      16.2995      0.00000
     15      21.8470      0.00000
     16      23.6946      0.00000

 k-point    22 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.5062      1.00000
      2       1.5620      1.00000
      3       2.7239      1.00000
      4       2.7768      1.00000
      5       3.1923      1.00000
      6       3.5295      1.00000
      7       4.4703      1.00000
      8       4.6697      1.00000
      9       4.8578      1.00000
     10       5.4105      1.04628
     11       6.0022     -0.03650
     12       9.7367      0.00000
     13      13.4495      0.00000
     14      18.8289      0.00000
     15      20.2087      0.00000
     16      24.5979      0.00000

 k-point    23 :      -0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.1412      1.00000
      2       1.7086      1.00000
      3       2.1346      1.00000
      4       3.0048      1.00000
      5       3.2660      1.00000
      6       3.7462      1.00000
      7       4.4201      1.00000
      8       4.6095      1.00000
      9       4.8095      1.00000
     10       4.9741      1.00000
     11       5.8451      0.47362
     12       9.9314      0.00000
     13      15.2123      0.00000
     14      18.9854      0.00000
     15      21.7976      0.00000
     16      24.0942      0.00000

 k-point    24 :      -0.0625    0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.6001      1.00000
      2       1.6582      1.00000
      3       1.8315      1.00000
      4       3.3831      1.00000
      5       3.3990      1.00000
      6       4.0830      1.00000
      7       4.2804      1.00000
      8       4.3658      1.00000
      9       4.7590      1.00000
     10       5.0642      1.00000
     11       5.5494      1.04965
     12       9.3875      0.00000
     13      18.1583      0.00000
     14      18.4521      0.00000
     15      23.1985      0.00000
     16      24.5789      0.00000

 k-point    25 :       0.0625    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.7133      1.00000
      2       1.5767      1.00000
      3       2.4547      1.00000
      4       3.0776      1.00000
      5       3.5838      1.00000
      6       3.8925      1.00000
      7       3.9297      1.00000
      8       4.2248      1.00000
      9       4.7128      1.00000
     10       5.1469      1.00000
     11       5.5743      1.03242
     12       6.9426      0.00000
     13      20.2348      0.00000
     14      20.6798      0.00000
     15      22.3654      0.00000
     16      23.2105      0.00000

 k-point    26 :       0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9203      1.00000
      2       1.5828      1.00000
      3       2.6178      1.00000
      4       2.9495      1.00000
      5       3.2237      1.00000
      6       3.3771      1.00000
      7       4.3530      1.00000
      8       4.3817      1.00000
      9       5.1583      1.00000
     10       5.5477      1.03934
     11       5.6999      0.63956
     12       7.3519      0.00000
     13      17.0598      0.00000
     14      19.2617      0.00000
     15      20.9662      0.00000
     16      23.1941      0.00000

 k-point    27 :       0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3023      1.00000
      3       2.6445      1.00000
      4       2.8052      1.00000
      5       3.4426      1.00000
      6       3.8342      1.00000
      7       4.5715      1.00000
      8       4.7092      1.00000
      9       5.2728      1.00000
     10       5.8593      0.47709
     11       6.1130     -0.02419
     12       7.7572      0.00000
     13      14.3434      0.00000
     14      16.2993      0.00000
     15      21.8467      0.00000
     16      23.6943      0.00000

 k-point    28 :       0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0483      1.00000
      3       2.4479      1.00000
      4       2.5088      1.00000
      5       4.3392      1.00000
      6       4.7369      1.00000
      7       4.7581      1.00000
      8       4.9282      1.00000
      9       5.2310      1.00000
     10       5.8467      0.35763
     11       6.6596      0.00000
     12       7.4683      0.00000
     13      13.2133      0.00000
     14      14.1039      0.00000
     15      22.9901      0.00000
     16      23.8704      0.00000

 k-point    29 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0485      1.00000
      3       2.4509      1.00000
      4       2.5058      1.00000
      5       4.3395      1.00000
      6       4.7356      1.00000
      7       4.7593      1.00000
      8       4.9282      1.00000
      9       5.2279      1.00000
     10       5.8495      0.31085
     11       6.6582      0.00000
     12       7.4699      0.00000
     13      13.2128      0.00000
     14      14.1042      0.00000
     15      22.9899      0.00000
     16      23.8716      0.00000

 k-point    30 :      -0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9830      1.00000
      2       1.3028      1.00000
      3       2.6474      1.00000
      4       2.8025      1.00000
      5       3.4427      1.00000
      6       3.8330      1.00000
      7       4.5697      1.00000
      8       4.7095      1.00000
      9       5.2714      1.00000
     10       5.8622      0.58915
     11       6.1118     -0.05658
     12       7.7588      0.00000
     13      14.3428      0.00000
     14      16.2995      0.00000
     15      21.8470      0.00000
     16      23.6951      0.00000

 k-point    31 :      -0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9209      1.00000
      2       1.5832      1.00000
      3       2.6178      1.00000
      4       2.9495      1.00000
      5       3.2255      1.00000
      6       3.3751      1.00000
      7       4.3526      1.00000
      8       4.3792      1.00000
      9       5.1570      1.00000
     10       5.5508      1.00152
     11       5.6992      0.63849
     12       7.3531      0.00000
     13      17.0593      0.00000
     14      19.2618      0.00000
     15      20.9667      0.00000
     16      23.1948      0.00000

 k-point    32 :      -0.0625    0.4375    0.0625
  band No.  band energies     occupation 
      1       0.7135      1.00000
      2       1.5768      1.00000
      3       2.4548      1.00000
      4       3.0764      1.00000
      5       3.5879      1.00000
      6       3.8929      1.00000
      7       3.9277      1.00000
      8       4.2214      1.00000
      9       4.7119      1.00000
     10       5.1493      1.00000
     11       5.5741      0.98356
     12       6.9430      0.00000
     13      20.2330      0.00000
     14      20.6818      0.00000
     15      22.3641      0.00000
     16      23.2128      0.00000

 k-point    33 :       0.0625   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.7132      1.00000
      2       1.5767      1.00000
      3       2.4549      1.00000
      4       3.0773      1.00000
      5       3.5838      1.00000
      6       3.8925      1.00000
      7       3.9300      1.00000
      8       4.2246      1.00000
      9       4.7129      1.00000
     10       5.1468      1.00000
     11       5.5743      1.03241
     12       6.9427      0.00000
     13      20.2348      0.00000
     14      20.6798      0.00000
     15      22.3653      0.00000
     16      23.2105      0.00000

 k-point    34 :       0.1875   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9204      1.00000
      2       1.5830      1.00000
      3       2.6179      1.00000
      4       2.9513      1.00000
      5       3.2233      1.00000
      6       3.3753      1.00000
      7       4.3532      1.00000
      8       4.3805      1.00000
      9       5.1567      1.00000
     10       5.5501      1.01167
     11       5.6996      0.57134
     12       7.3523      0.00000
     13      17.0595      0.00000
     14      19.2619      0.00000
     15      20.9665      0.00000
     16      23.1940      0.00000

 k-point    35 :       0.3125   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3027      1.00000
      3       2.6476      1.00000
      4       2.8024      1.00000
      5       3.4429      1.00000
      6       3.8331      1.00000
      7       4.5701      1.00000
      8       4.7097      1.00000
      9       5.2710      1.00000
     10       5.8624      0.52122
     11       6.1121     -0.01202
     12       7.7579      0.00000
     13      14.3430      0.00000
     14      16.2995      0.00000
     15      21.8470      0.00000
     16      23.6946      0.00000

 k-point    36 :       0.4375   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0485      1.00000
      3       2.4509      1.00000
      4       2.5058      1.00000
      5       4.3395      1.00000
      6       4.7356      1.00000
      7       4.7593      1.00000
      8       4.9282      1.00000
      9       5.2278      1.00000
     10       5.8494      0.31094
     11       6.6582      0.00000
     12       7.4700      0.00000
     13      13.2128      0.00000
     14      14.1042      0.00000
     15      22.9899      0.00000
     16      23.8716      0.00000

 k-point    37 :      -0.4375   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9550      1.00000
      2       1.0485      1.00000
      3       2.4479      1.00000
      4       2.5088      1.00000
      5       4.3390      1.00000
      6       4.7366      1.00000
      7       4.7586      1.00000
      8       4.9282      1.00000
      9       5.2287      1.00000
     10       5.8471      0.47068
     11       6.6615      0.00000
     12       7.4682      0.00000
     13      13.2133      0.00000
     14      14.1037      0.00000
     15      22.9906      0.00000
     16      23.8704      0.00000

 k-point    38 :      -0.3125   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9828      1.00000
      2       1.3027      1.00000
      3       2.6446      1.00000
      4       2.8055      1.00000
      5       3.4424      1.00000
      6       3.8335      1.00000
      7       4.5708      1.00000
      8       4.7081      1.00000
      9       5.2720      1.00000
     10       5.8596      0.69553
     11       6.1155     -0.03885
     12       7.7570      0.00000
     13      14.3433      0.00000
     14      16.2992      0.00000
     15      21.8473      0.00000
     16      23.6943      0.00000

 k-point    39 :      -0.1875   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5832      1.00000
      3       2.6174      1.00000
      4       2.9493      1.00000
      5       3.2231      1.00000
      6       3.3786      1.00000
      7       4.3513      1.00000
      8       4.3802      1.00000
      9       5.1594      1.00000
     10       5.5478      1.00973
     11       5.7012      0.53186
     12       7.3517      0.00000
     13      17.0596      0.00000
     14      19.2615      0.00000
     15      20.9669      0.00000
     16      23.1944      0.00000

 k-point    40 :      -0.0625   -0.4375    0.0625
  band No.  band energies     occupation 
      1       0.7132      1.00000
      2       1.5769      1.00000
      3       2.4544      1.00000
      4       3.0771      1.00000
      5       3.5841      1.00000
      6       3.8967      1.00000
      7       3.9270      1.00000
      8       4.2218      1.00000
      9       4.7157      1.00000
     10       5.1458      1.00000
     11       5.5745      0.91470
     12       6.9424      0.00000
     13      20.2330      0.00000
     14      20.6823      0.00000
     15      22.3641      0.00000
     16      23.2122      0.00000

 k-point    41 :       0.0625   -0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.6002      1.00000
      2       1.6581      1.00000
      3       1.8314      1.00000
      4       3.3857      1.00000
      5       3.3950      1.00000
      6       4.0835      1.00000
      7       4.2815      1.00000
      8       4.3654      1.00000
      9       4.7623      1.00000
     10       5.0642      1.00000
     11       5.5469      1.13913
     12       9.3871      0.00000
     13      18.1605      0.00000
     14      18.4499      0.00000
     15      23.1991      0.00000
     16      24.5797      0.00000

 k-point    42 :       0.1875   -0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.1413      1.00000
      2       1.7086      1.00000
      3       2.1346      1.00000
      4       3.0055      1.00000
      5       3.2650      1.00000
      6       3.7461      1.00000
      7       4.4204      1.00000
      8       4.6104      1.00000
      9       4.8094      1.00000
     10       4.9744      1.00000
     11       5.8445      0.22459
     12       9.9310      0.00000
     13      15.2126      0.00000
     14      18.9853      0.00000
     15      21.7978      0.00000
     16      24.0943      0.00000

 k-point    43 :       0.3125   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.5062      1.00000
      2       1.5620      1.00000
      3       2.7239      1.00000
      4       2.7768      1.00000
      5       3.1923      1.00000
      6       3.5295      1.00000
      7       4.4703      1.00000
      8       4.6697      1.00000
      9       4.8578      1.00000
     10       5.4105      1.04628
     11       6.0022     -0.03649
     12       9.7367      0.00000
     13      13.4495      0.00000
     14      18.8289      0.00000
     15      20.2087      0.00000
     16      24.5979      0.00000

 k-point    44 :       0.4375   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9830      1.00000
      2       1.3028      1.00000
      3       2.6474      1.00000
      4       2.8025      1.00000
      5       3.4427      1.00000
      6       3.8330      1.00000
      7       4.5697      1.00000
      8       4.7095      1.00000
      9       5.2714      1.00000
     10       5.8622      0.58926
     11       6.1118     -0.05660
     12       7.7588      0.00000
     13      14.3428      0.00000
     14      16.2995      0.00000
     15      21.8470      0.00000
     16      23.6951      0.00000

 k-point    45 :      -0.4375   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9828      1.00000
      2       1.3027      1.00000
      3       2.6446      1.00000
      4       2.8055      1.00000
      5       3.4424      1.00000
      6       3.8335      1.00000
      7       4.5708      1.00000
      8       4.7081      1.00000
      9       5.2719      1.00000
     10       5.8596      0.69555
     11       6.1156     -0.03885
     12       7.7570      0.00000
     13      14.3433      0.00000
     14      16.2992      0.00000
     15      21.8473      0.00000
     16      23.6943      0.00000

 k-point    46 :      -0.3125   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.5059      1.00000
      2       1.5616      1.00000
      3       2.7209      1.00000
      4       2.7765      1.00000
      5       3.1960      1.00000
      6       3.5302      1.00000
      7       4.4709      1.00000
      8       4.6683      1.00000
      9       4.8578      1.00000
     10       5.4148      1.01764
     11       5.9992      0.00000
     12       9.7353      0.00000
     13      13.4502      0.00000
     14      18.8286      0.00000
     15      20.2089      0.00000
     16      24.5979      0.00000

 k-point    47 :      -0.1875   -0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7082      1.00000
      3       2.1344      1.00000
      4       3.0022      1.00000
      5       3.2658      1.00000
      6       3.7504      1.00000
      7       4.4191      1.00000
      8       4.6098      1.00000
      9       4.8134      1.00000
     10       4.9745      1.00221
     11       5.8418      0.18608
     12       9.9303      0.00000
     13      15.2128      0.00000
     14      18.9856      0.00000
     15      21.7974      0.00000
     16      24.0942      0.00000

 k-point    48 :      -0.0625   -0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.6003      1.00000
      2       1.6581      1.00000
      3       1.8312      1.00000
      4       3.3838      1.00000
      5       3.3950      1.00000
      6       4.0823      1.00000
      7       4.2847      1.00000
      8       4.3698      1.00000
      9       4.7593      1.00000
     10       5.0642      1.00000
     11       5.5458      1.10542
     12       9.3869      0.00000
     13      18.1582      0.00000
     14      18.4526      0.00000
     15      23.1986      0.00000
     16      24.5789      0.00000

 k-point    49 :       0.0625   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3502      1.00000
      3       1.3514      1.00000
      4       3.3639      1.00000
      5       3.4295      1.00000
      6       3.9122      1.00000
      7       4.4779      1.00000
      8       4.8388      1.00000
      9       4.9911      1.00000
     10       5.3908      1.01217
     11       5.8169      0.14493
     12      12.4737      0.00000
     13      16.4005      0.00000
     14      16.6778      0.00000
     15      22.5527      0.00000
     16      24.0206      0.00000

 k-point    50 :       0.1875   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.1514      1.00000
      2       1.5160      1.00000
      3       1.6592      1.00000
      4       3.1350      1.00000
      5       3.3264      1.00000
      6       4.3276      1.00000
      7       4.3398      1.00000
      8       4.5671      1.00000
      9       4.7749      1.00000
     10       5.0833      1.00000
     11       5.9235      0.08906
     12      12.6024      0.00000
     13      14.2056      0.00000
     14      17.4372      0.00000
     15      23.4463      0.00000
     16      24.6200      0.00000

 k-point    51 :       0.3125   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.1412      1.00000
      2       1.7086      1.00000
      3       2.1346      1.00000
      4       3.0048      1.00000
      5       3.2660      1.00000
      6       3.7462      1.00000
      7       4.4201      1.00000
      8       4.6095      1.00000
      9       4.8095      1.00000
     10       4.9742      1.00000
     11       5.8451      0.47365
     12       9.9315      0.00000
     13      15.2124      0.00000
     14      18.9854      0.00000
     15      21.7976      0.00000
     16      24.0942      0.00000

 k-point    52 :       0.4375   -0.1875    0.0625
  band No.  band energies     occupation 
      1       0.9209      1.00000
      2       1.5832      1.00000
      3       2.6178      1.00000
      4       2.9494      1.00000
      5       3.2255      1.00000
      6       3.3751      1.00000
      7       4.3526      1.00000
      8       4.3792      1.00000
      9       5.1570      1.00000
     10       5.5508      1.00152
     11       5.6992      0.63842
     12       7.3532      0.00000
     13      17.0593      0.00000
     14      19.2618      0.00000
     15      20.9667      0.00000
     16      23.1948      0.00000

 k-point    53 :      -0.4375   -0.1875    0.0625
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5832      1.00000
      3       2.6173      1.00000
      4       2.9493      1.00000
      5       3.2231      1.00000
      6       3.3787      1.00000
      7       4.3513      1.00000
      8       4.3802      1.00000
      9       5.1594      1.00000
     10       5.5478      1.00973
     11       5.7013      0.53172
     12       7.3518      0.00000
     13      17.0596      0.00000
     14      19.2615      0.00000
     15      20.9669      0.00000
     16      23.1944      0.00000

 k-point    54 :      -0.3125   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7082      1.00000
      3       2.1344      1.00000
      4       3.0022      1.00000
      5       3.2658      1.00000
      6       3.7504      1.00000
      7       4.4190      1.00000
      8       4.6098      1.00000
      9       4.8134      1.00000
     10       4.9746      1.00221
     11       5.8418      0.18603
     12       9.9303      0.00000
     13      15.2128      0.00000
     14      18.9856      0.00000
     15      21.7974      0.00000
     16      24.0942      0.00000

 k-point    55 :      -0.1875   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.1516      1.00000
      2       1.5156      1.00000
      3       1.6591      1.00000
      4       3.1320      1.00000
      5       3.3262      1.00000
      6       4.3320      1.00000
      7       4.3443      1.00000
      8       4.5664      1.00000
      9       4.7748      1.00000
     10       5.0827      1.01747
     11       5.9204      0.06229
     12      12.6006      0.00000
     13      14.2068      0.00000
     14      17.4376      0.00000
     15      23.4463      0.00000
     16      24.6198      0.00000

 k-point    56 :      -0.0625   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3502      1.00000
      3       1.3513      1.00000
      4       3.3638      1.00000
      5       3.4265      1.00000
      6       3.9159      1.00000
      7       4.4776      1.00000
      8       4.8387      1.00000
      9       4.9955      1.00000
     10       5.3877      1.06341
     11       5.8158      0.23340
     12      12.4734      0.00000
     13      16.3981      0.00000
     14      16.6806      0.00000
     15      22.5523      0.00000
     16      24.0204      0.00000

 k-point    57 :       0.0625   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.3554      1.00000
      2       1.0927      1.00000
      3       1.0929      1.00000
      4       3.4480      1.00000
      5       3.4525      1.00000
      6       3.6485      1.00000
      7       4.7200      1.00000
      8       4.7202      1.00000
      9       5.5547      1.00000
     10       5.8497      0.71545
     11       5.8541      0.00000
     12      15.3398      0.00000
     13      15.3430      0.00000
     14      15.7260      0.00000
     15      22.2677      0.00000
     16      22.2681      0.00000

 k-point    58 :       0.1875   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.7320      1.00000
      2       1.3503      1.00000
      3       1.3514      1.00000
      4       3.3682      1.00000
      5       3.4261      1.00000
      6       3.9113      1.00000
      7       4.4778      1.00000
      8       4.8389      1.00000
      9       4.9913      1.00000
     10       5.3875      1.00107
     11       5.8198      0.33329
     12      12.4741      0.00000
     13      16.3982      0.00000
     14      16.6798      0.00000
     15      22.5522      0.00000
     16      24.0211      0.00000

 k-point    59 :       0.3125   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.6001      1.00000
      2       1.6582      1.00000
      3       1.8314      1.00000
      4       3.3831      1.00000
      5       3.3990      1.00000
      6       4.0830      1.00000
      7       4.2804      1.00000
      8       4.3658      1.00000
      9       4.7590      1.00000
     10       5.0643      1.00000
     11       5.5494      1.04965
     12       9.3875      0.00000
     13      18.1583      0.00000
     14      18.4521      0.00000
     15      23.1985      0.00000
     16      24.5789      0.00000

 k-point    60 :       0.4375   -0.0625    0.0625
  band No.  band energies     occupation 
      1       0.7135      1.00000
      2       1.5768      1.00000
      3       2.4548      1.00000
      4       3.0763      1.00000
      5       3.5879      1.00000
      6       3.8929      1.00000
      7       3.9277      1.00000
      8       4.2213      1.00000
      9       4.7120      1.00000
     10       5.1493      1.00000
     11       5.5742      0.98354
     12       6.9431      0.00000
     13      20.2331      0.00000
     14      20.6818      0.00000
     15      22.3642      0.00000
     16      23.2127      0.00000

 k-point    61 :      -0.4375   -0.0625    0.0625
  band No.  band energies     occupation 
      1       0.7133      1.00000
      2       1.5769      1.00000
      3       2.4544      1.00000
      4       3.0771      1.00000
      5       3.5841      1.00000
      6       3.8967      1.00000
      7       3.9269      1.00000
      8       4.2218      1.00000
      9       4.7157      1.00000
     10       5.1459      1.00000
     11       5.5745      0.91466
     12       6.9424      0.00000
     13      20.2330      0.00000
     14      20.6822      0.00000
     15      22.3642      0.00000
     16      23.2122      0.00000

 k-point    62 :      -0.3125   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.6003      1.00000
      2       1.6581      1.00000
      3       1.8312      1.00000
      4       3.3838      1.00000
      5       3.3950      1.00000
      6       4.0822      1.00000
      7       4.2847      1.00000
      8       4.3698      1.00000
      9       4.7592      1.00000
     10       5.0642      1.00000
     11       5.5459      1.10535
     12       9.3869      0.00000
     13      18.1583      0.00000
     14      18.4525      0.00000
     15      23.1986      0.00000
     16      24.5789      0.00000

 k-point    63 :      -0.1875   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3502      1.00000
      3       1.3513      1.00000
      4       3.3638      1.00000
      5       3.4264      1.00000
      6       3.9159      1.00000
      7       4.4775      1.00000
      8       4.8388      1.00000
      9       4.9955      1.00000
     10       5.3876      1.06342
     11       5.8159      0.23327
     12      12.4734      0.00000
     13      16.3982      0.00000
     14      16.6806      0.00000
     15      22.5523      0.00000
     16      24.0204      0.00000

 k-point    64 :      -0.0625   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.3554      1.00000
      2       1.0927      1.00000
      3       1.0929      1.00000
      4       3.4480      1.00000
      5       3.4482      1.00000
      6       3.6529      1.00000
      7       4.7199      1.00000
      8       4.7202      1.00000
      9       5.5590      1.00000
     10       5.8497      0.52705
     11       5.8499      0.06429
     12      15.3396      0.00000
     13      15.3398      0.00000
     14      15.7295      0.00000
     15      22.2677      0.00000
     16      22.2677      0.00000

 k-point    65 :       0.0625    0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.7320      1.00000
      2       1.3501      1.00000
      3       1.3515      1.00000
      4       3.3682      1.00000
      5       3.4264      1.00000
      6       3.9111      1.00000
      7       4.4779      1.00000
      8       4.8386      1.00000
      9       4.9913      1.00000
     10       5.3877      1.00108
     11       5.8197      0.33360
     12      12.4740      0.00000
     13      16.3981      0.00000
     14      16.6800      0.00000
     15      22.5523      0.00000
     16      24.0211      0.00000

 k-point    66 :       0.1875    0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.1514      1.00000
      2       1.5160      1.00000
      3       1.6591      1.00000
      4       3.1350      1.00000
      5       3.3267      1.00000
      6       4.3275      1.00000
      7       4.3397      1.00000
      8       4.5671      1.00000
      9       4.7747      1.00000
     10       5.0836      1.00000
     11       5.9235      0.08906
     12      12.6023      0.00000
     13      14.2056      0.00000
     14      17.4372      0.00000
     15      23.4464      0.00000
     16      24.6201      0.00000

 k-point    67 :       0.3125    0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.1413      1.00000
      2       1.7086      1.00000
      3       2.1344      1.00000
      4       3.0055      1.00000
      5       3.2654      1.00000
      6       3.7460      1.00000
      7       4.4201      1.00000
      8       4.6107      1.00000
      9       4.8093      1.00000
     10       4.9744      1.00000
     11       5.8446      0.22428
     12       9.9309      0.00000
     13      15.2126      0.00000
     14      18.9853      0.00000
     15      21.7978      0.00000
     16      24.0944      0.00000

 k-point    68 :       0.4375    0.0625    0.1875
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5830      1.00000
      3       2.6176      1.00000
      4       2.9515      1.00000
      5       3.2233      1.00000
      6       3.3752      1.00000
      7       4.3530      1.00000
      8       4.3809      1.00000
      9       5.1565      1.00000
     10       5.5503      1.01165
     11       5.6997      0.57127
     12       7.3522      0.00000
     13      17.0595      0.00000
     14      19.2619      0.00000
     15      20.9665      0.00000
     16      23.1940      0.00000

 k-point    69 :      -0.4375    0.0625    0.1875
  band No.  band energies     occupation 
      1       0.9203      1.00000
      2       1.5830      1.00000
      3       2.6179      1.00000
      4       2.9491      1.00000
      5       3.2236      1.00000
      6       3.3770      1.00000
      7       4.3535      1.00000
      8       4.3816      1.00000
      9       5.1585      1.00000
     10       5.5475      1.03947
     11       5.6997      0.63992
     12       7.3520      0.00000
     13      17.0598      0.00000
     14      19.2617      0.00000
     15      20.9662      0.00000
     16      23.1941      0.00000

 k-point    70 :      -0.3125    0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7084      1.00000
      3       2.1344      1.00000
      4       3.0019      1.00000
      5       3.2675      1.00000
      6       3.7472      1.00000
      7       4.4205      1.00000
      8       4.6127      1.00000
      9       4.8106      1.00000
     10       4.9744      1.02755
     11       5.8416      0.21990
     12       9.9304      0.00000
     13      15.2131      0.00000
     14      18.9850      0.00000
     15      21.7977      0.00000
     16      24.0949      0.00000

 k-point    71 :      -0.1875    0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.1516      1.00000
      2       1.5159      1.00000
      3       1.6591      1.00000
      4       3.1317      1.00000
      5       3.3287      1.00000
      6       4.3292      1.00000
      7       4.3403      1.00000
      8       4.5668      1.00000
      9       4.7748      1.00000
     10       5.0866      1.00135
     11       5.9202      0.01956
     12      12.6007      0.00000
     13      14.2073      0.00000
     14      17.4368      0.00000
     15      23.4470      0.00000
     16      24.6202      0.00000

 k-point    72 :      -0.0625    0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3501      1.00000
      3       1.3515      1.00000
      4       3.3640      1.00000
      5       3.4296      1.00000
      6       3.9121      1.00000
      7       4.4780      1.00000
      8       4.8386      1.00000
      9       4.9911      1.00000
     10       5.3909      1.01219
     11       5.8168      0.14509
     12      12.4736      0.00000
     13      16.4006      0.00000
     14      16.6777      0.00000
     15      22.5527      0.00000
     16      24.0205      0.00000

 k-point    73 :       0.0625    0.1875    0.1875
  band No.  band energies     occupation 
      1      -1.1514      1.00000
      2       1.5160      1.00000
      3       1.6590      1.00000
      4       3.1350      1.00000
      5       3.3268      1.00000
      6       4.3274      1.00000
      7       4.3397      1.00000
      8       4.5671      1.00000
      9       4.7746      1.00000
     10       5.0836      1.00000
     11       5.9235      0.08910
     12      12.6023      0.00000
     13      14.2056      0.00000
     14      17.4372      0.00000
     15      23.4464      0.00000
     16      24.6201      0.00000

 k-point    74 :       0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.5912      1.00000
      2       1.8199      1.00000
      3       1.8201      1.00000
      4       3.0277      1.00000
      5       3.0318      1.00000
      6       3.6424      1.00000
      7       4.6945      1.00000
      8       4.6947      1.00000
      9       4.8343      1.00000
     10       5.4705      1.00000
     11       5.4747      1.13471
     12      13.5709      0.00000
     13      13.5731      0.00000
     14      15.4632      0.00000
     15      24.5170      0.00000
     16      24.5186      0.00000

 k-point    75 :       0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1       0.3504      1.00000
      2       2.0963      1.00000
      3       2.1130      1.00000
      4       2.8656      1.00000
      5       2.9220      1.00000
      6       3.1687      1.00000
      7       4.5624      1.00000
      8       4.8913      1.00000
      9       4.9318      1.00000
     10       5.4782      1.00082
     11       5.5587      0.73055
     12      10.6835      0.00000
     13      15.1534      0.00000
     14      16.3004      0.00000
     15      21.7388      0.00000
     16      22.7037      0.00000

 k-point    76 :       0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1       1.2556      1.00000
      2       1.8504      1.00000
      3       2.4045      1.00000
      4       2.6645      1.00000
      5       3.1263      1.00000
      6       3.2232      1.00000
      7       4.4710      1.00000
      8       4.5681      1.00000
      9       5.1072      1.00000
     10       5.3778      1.02180
     11       6.4116     -0.12138
     12       8.1105      0.00000
     13      17.0821      0.00000
     14      17.9273      0.00000
     15      19.2717      0.00000
     16      20.1091      0.00000

 k-point    77 :      -0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1       1.2556      1.00000
      2       1.8506      1.00000
      3       2.4047      1.00000
      4       2.6642      1.00000
      5       3.1263      1.00000
      6       3.2231      1.00000
      7       4.4713      1.00000
      8       4.5678      1.00000
      9       5.1073      1.00000
     10       5.3776      1.02178
     11       6.4115     -0.12139
     12       8.1106      0.00000
     13      17.0822      0.00000
     14      17.9273      0.00000
     15      19.2716      0.00000
     16      20.1091      0.00000

 k-point    78 :      -0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1       0.3504      1.00000
      2       2.0965      1.00000
      3       2.1131      1.00000
      4       2.8654      1.00000
      5       2.9219      1.00000
      6       3.1687      1.00000
      7       4.5627      1.00000
      8       4.8914      1.00000
      9       4.9315      1.00000
     10       5.4782      1.00081
     11       5.5586      0.73083
     12      10.6836      0.00000
     13      15.1535      0.00000
     14      16.3004      0.00000
     15      21.7387      0.00000
     16      22.7037      0.00000

 k-point    79 :      -0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.5912      1.00000
      2       1.8200      1.00000
      3       1.8202      1.00000
      4       3.0274      1.00000
      5       3.0317      1.00000
      6       3.6424      1.00000
      7       4.6946      1.00000
      8       4.6948      1.00000
      9       4.8344      1.00000
     10       5.4703      1.00000
     11       5.4746      1.13490
     12      13.5710      0.00000
     13      13.5732      0.00000
     14      15.4631      0.00000
     15      24.5171      0.00000
     16      24.5186      0.00000

 k-point    80 :      -0.0625    0.1875    0.1875
  band No.  band energies     occupation 
      1      -1.1514      1.00000
      2       1.5160      1.00000
      3       1.6591      1.00000
      4       3.1350      1.00000
      5       3.3267      1.00000
      6       4.3275      1.00000
      7       4.3398      1.00000
      8       4.5671      1.00000
      9       4.7747      1.00000
     10       5.0835      1.00000
     11       5.9235      0.08923
     12      12.6023      0.00000
     13      14.2057      0.00000
     14      17.4372      0.00000
     15      23.4464      0.00000
     16      24.6201      0.00000

 k-point    81 :       0.0625    0.3125    0.1875
  band No.  band energies     occupation 
      1      -0.1413      1.00000
      2       1.7086      1.00000
      3       2.1343      1.00000
      4       3.0055      1.00000
      5       3.2654      1.00000
      6       3.7460      1.00000
      7       4.4201      1.00000
      8       4.6108      1.00000
      9       4.8092      1.00000
     10       4.9744      1.00000
     11       5.8445      0.22437
     12       9.9309      0.00000
     13      15.2126      0.00000
     14      18.9853      0.00000
     15      21.7978      0.00000
     16      24.0944      0.00000

 k-point    82 :       0.1875    0.3125    0.1875
  band No.  band energies     occupation 
      1       0.3504      1.00000
      2       2.0963      1.00000
      3       2.1130      1.00000
      4       2.8657      1.00000
      5       2.9220      1.00000
      6       3.1687      1.00000
      7       4.5624      1.00000
      8       4.8912      1.00000
      9       4.9318      1.00000
     10       5.4782      1.00082
     11       5.5586      0.73066
     12      10.6835      0.00000
     13      15.1534      0.00000
     14      16.3004      0.00000
     15      21.7388      0.00000
     16      22.7036      0.00000

 k-point    83 :       0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1       1.0329      1.00000
      2       1.9429      1.00000
      3       2.6271      1.00000
      4       2.7371      1.00000
      5       2.7529      1.00000
      6       2.9521      1.00000
      7       4.7266      1.00000
      8       4.8252      1.00000
      9       4.8586      1.00000
     10       5.5001      1.01733
     11       6.2563     -0.03233
     12      10.8892      0.00000
     13      13.5258      0.00000
     14      16.9267      0.00000
     15      19.1785      0.00000
     16      22.4703      0.00000

 k-point    84 :       0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1       1.4300      1.00000
      2       1.6746      1.00000
      3       2.5326      1.00000
      4       2.5720      1.00000
      5       3.2906      1.00000
      6       3.3413      1.00000
      7       4.7197      1.00000
      8       4.7237      1.00000
      9       5.0285      1.00000
     10       5.3393      1.07431
     11       7.2825     -0.01139
     12       8.9615      0.00000
     13      14.5900      0.00000
     14      16.6312      0.00000
     15      18.4664      0.00000
     16      20.5267      0.00000

 k-point    85 :      -0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1       1.4298      1.00000
      2       1.6753      1.00000
      3       2.5357      1.00000
      4       2.5696      1.00000
      5       3.2915      1.00000
      6       3.3387      1.00000
      7       4.7201      1.00000
      8       4.7224      1.00000
      9       5.0282      1.00000
     10       5.3410      1.04209
     11       7.2821      0.00000
     12       8.9622      0.00000
     13      14.5897      0.00000
     14      16.6312      0.00000
     15      18.4666      0.00000
     16      20.5269      0.00000

 k-point    86 :      -0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1       1.0335      1.00000
      2       1.9438      1.00000
      3       2.6301      1.00000
      4       2.7374      1.00000
      5       2.7513      1.00000
      6       2.9485      1.00000
      7       4.7269      1.00000
      8       4.8223      1.00000
      9       4.8586      1.00000
     10       5.5029      1.00067
     11       6.2558     -0.05786
     12      10.8908      0.00000
     13      13.5245      0.00000
     14      16.9270      0.00000
     15      19.1784      0.00000
     16      22.4716      0.00000

 k-point    87 :      -0.1875    0.3125    0.1875
  band No.  band energies     occupation 
      1       0.3509      1.00000
      2       2.0963      1.00000
      3       2.1136      1.00000
      4       2.8627      1.00000
      5       2.9248      1.00000
      6       3.1681      1.00000
      7       4.5622      1.00000
      8       4.8917      1.00000
      9       4.9286      1.00000
     10       5.4776      1.00000
     11       5.5613      0.75426
     12      10.6847      0.00000
     13      15.1519      0.00000
     14      16.3014      0.00000
     15      21.7376      0.00000
     16      22.7056      0.00000

 k-point    88 :      -0.0625    0.3125    0.1875
  band No.  band energies     occupation 
      1      -0.1411      1.00000
      2       1.7086      1.00000
      3       2.1345      1.00000
      4       3.0046      1.00000
      5       3.2664      1.00000
      6       3.7461      1.00000
      7       4.4200      1.00000
      8       4.6098      1.00000
      9       4.8094      1.00000
     10       4.9740      1.00000
     11       5.8450      0.47387
     12       9.9314      0.00000
     13      15.2124      0.00000
     14      18.9854      0.00000
     15      21.7977      0.00000
     16      24.0943      0.00000

 k-point    89 :       0.0625    0.4375    0.1875
  band No.  band energies     occupation 
      1       0.9206      1.00000
      2       1.5830      1.00000
      3       2.6176      1.00000
      4       2.9515      1.00000
      5       3.2233      1.00000
      6       3.3752      1.00000
      7       4.3530      1.00000
      8       4.3810      1.00000
      9       5.1564      1.00000
     10       5.5502      1.01165
     11       5.6997      0.57124
     12       7.3522      0.00000
     13      17.0595      0.00000
     14      19.2620      0.00000
     15      20.9665      0.00000
     16      23.1940      0.00000

 k-point    90 :       0.1875    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.2557      1.00000
      2       1.8504      1.00000
      3       2.4044      1.00000
      4       2.6645      1.00000
      5       3.1263      1.00000
      6       3.2232      1.00000
      7       4.4709      1.00000
      8       4.5682      1.00000
      9       5.1071      1.00000
     10       5.3777      1.02179
     11       6.4116     -0.12139
     12       8.1105      0.00000
     13      17.0821      0.00000
     14      17.9273      0.00000
     15      19.2717      0.00000
     16      20.1091      0.00000

 k-point    91 :       0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4300      1.00000
      2       1.6746      1.00000
      3       2.5326      1.00000
      4       2.5720      1.00000
      5       3.2906      1.00000
      6       3.3413      1.00000
      7       4.7197      1.00000
      8       4.7237      1.00000
      9       5.0284      1.00000
     10       5.3393      1.07431
     11       7.2825     -0.01140
     12       8.9615      0.00000
     13      14.5900      0.00000
     14      16.6312      0.00000
     15      18.4664      0.00000
     16      20.5267      0.00000

 k-point    92 :       0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.3826      1.00000
      2       1.4421      1.00000
      3       2.3956      1.00000
      4       2.4363      1.00000
      5       3.9292      1.00000
      6       4.0553      1.00000
      7       4.8222      1.00000
      8       4.8434      1.00000
      9       4.9387      1.00000
     10       5.1776      1.07959
     11       8.2485      0.00000
     12       9.1359      0.00000
     13      13.3232      0.00000
     14      14.3377      0.00000
     15      19.8577      0.00000
     16      21.3339      0.00000

 k-point    93 :      -0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.3826      1.00000
      2       1.4427      1.00000
      3       2.3986      1.00000
      4       2.4332      1.00000
      5       3.9304      1.00000
      6       4.0525      1.00000
      7       4.8208      1.00000
      8       4.8441      1.00000
      9       4.9386      1.00000
     10       5.1791      1.07917
     11       8.2475      0.00000
     12       9.1378      0.00000
     13      13.3225      0.00000
     14      14.3379      0.00000
     15      19.8576      0.00000
     16      21.3353      0.00000

 k-point    94 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4311      1.00000
      2       1.6755      1.00000
      3       2.5345      1.00000
      4       2.5697      1.00000
      5       3.2907      1.00000
      6       3.3390      1.00000
      7       4.7195      1.00000
      8       4.7214      1.00000
      9       5.0286      1.00000
     10       5.3415      1.01876
     11       7.2819     -0.02208
     12       8.9637      0.00000
     13      14.5891      0.00000
     14      16.6311      0.00000
     15      18.4667      0.00000
     16      20.5275      0.00000

 k-point    95 :      -0.1875    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.2571      1.00000
      2       1.8513      1.00000
      3       2.4041      1.00000
      4       2.6622      1.00000
      5       3.1282      1.00000
      6       3.2221      1.00000
      7       4.4701      1.00000
      8       4.5654      1.00000
      9       5.1075      1.00000
     10       5.3797      1.00000
     11       6.4110     -0.13391
     12       8.1124      0.00000
     13      17.0806      0.00000
     14      17.9285      0.00000
     15      19.2704      0.00000
     16      20.1110      0.00000

 k-point    96 :      -0.0625    0.4375    0.1875
  band No.  band energies     occupation 
      1       0.9210      1.00000
      2       1.5831      1.00000
      3       2.6178      1.00000
      4       2.9493      1.00000
      5       3.2257      1.00000
      6       3.3749      1.00000
      7       4.3525      1.00000
      8       4.3797      1.00000
      9       5.1570      1.00000
     10       5.5507      1.00152
     11       5.6991      0.63863
     12       7.3531      0.00000
     13      17.0593      0.00000
     14      19.2618      0.00000
     15      20.9667      0.00000
     16      23.1948      0.00000

 k-point    97 :       0.0625   -0.4375    0.1875
  band No.  band energies     occupation 
      1       0.9203      1.00000
      2       1.5830      1.00000
      3       2.6179      1.00000
      4       2.9491      1.00000
      5       3.2236      1.00000
      6       3.3770      1.00000
      7       4.3536      1.00000
      8       4.3816      1.00000
      9       5.1584      1.00000
     10       5.5474      1.03951
     11       5.6997      0.63995
     12       7.3520      0.00000
     13      17.0598      0.00000
     14      19.2617      0.00000
     15      20.9662      0.00000
     16      23.1941      0.00000

 k-point    98 :       0.1875   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.2556      1.00000
      2       1.8506      1.00000
      3       2.4048      1.00000
      4       2.6642      1.00000
      5       3.1263      1.00000
      6       3.2232      1.00000
      7       4.4714      1.00000
      8       4.5678      1.00000
      9       5.1073      1.00000
     10       5.3775      1.02176
     11       6.4116     -0.12140
     12       8.1106      0.00000
     13      17.0822      0.00000
     14      17.9273      0.00000
     15      19.2716      0.00000
     16      20.1091      0.00000

 k-point    99 :       0.3125   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4298      1.00000
      2       1.6753      1.00000
      3       2.5357      1.00000
      4       2.5696      1.00000
      5       3.2916      1.00000
      6       3.3387      1.00000
      7       4.7201      1.00000
      8       4.7224      1.00000
      9       5.0282      1.00000
     10       5.3409      1.04210
     11       7.2821      0.00000
     12       8.9622      0.00000
     13      14.5897      0.00000
     14      16.6312      0.00000
     15      18.4666      0.00000
     16      20.5269      0.00000

 k-point   100 :       0.4375   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.3826      1.00000
      2       1.4427      1.00000
      3       2.3986      1.00000
      4       2.4332      1.00000
      5       3.9305      1.00000
      6       4.0524      1.00000
      7       4.8208      1.00000
      8       4.8441      1.00000
      9       4.9386      1.00000
     10       5.1790      1.07917
     11       8.2475      0.00000
     12       9.1378      0.00000
     13      13.3225      0.00000
     14      14.3379      0.00000
     15      19.8576      0.00000
     16      21.3353      0.00000

 k-point   101 :      -0.4375   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.3828      1.00000
      2       1.4431      1.00000
      3       2.3957      1.00000
      4       2.4359      1.00000
      5       3.9288      1.00000
      6       4.0543      1.00000
      7       4.8216      1.00000
      8       4.8429      1.00000
      9       4.9386      1.00000
     10       5.1781      1.02640
     11       8.2505      0.00000
     12       9.1359      0.00000
     13      13.3230      0.00000
     14      14.3373      0.00000
     15      19.8582      0.00000
     16      21.3339      0.00000

 k-point   102 :      -0.3125   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4304      1.00000
      2       1.6763      1.00000
      3       2.5327      1.00000
      4       2.5716      1.00000
      5       3.2905      1.00000
      6       3.3392      1.00000
      7       4.7185      1.00000
      8       4.7223      1.00000
      9       5.0289      1.00000
     10       5.3398      1.00119
     11       7.2855     -0.02015
     12       8.9613      0.00000
     13      14.5896      0.00000
     14      16.6307      0.00000
     15      18.4672      0.00000
     16      20.5268      0.00000

 k-point   103 :      -0.1875   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.2562      1.00000
      2       1.8523      1.00000
      3       2.4033      1.00000
      4       2.6631      1.00000
      5       3.1251      1.00000
      6       3.2250      1.00000
      7       4.4693      1.00000
      8       4.5662      1.00000
      9       5.1083      1.00000
     10       5.3773      1.00000
     11       6.4147     -0.12488
     12       8.1101      0.00000
     13      17.0807      0.00000
     14      17.9292      0.00000
     15      19.2703      0.00000
     16      20.1103      0.00000

 k-point   104 :      -0.0625   -0.4375    0.1875
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5835      1.00000
      3       2.6172      1.00000
      4       2.9493      1.00000
      5       3.2228      1.00000
      6       3.3786      1.00000
      7       4.3517      1.00000
      8       4.3801      1.00000
      9       5.1593      1.00000
     10       5.5477      1.00972
     11       5.7012      0.53196
     12       7.3517      0.00000
     13      17.0597      0.00000
     14      19.2615      0.00000
     15      20.9669      0.00000
     16      23.1944      0.00000

 k-point   105 :       0.0625   -0.3125    0.1875
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7085      1.00000
      3       2.1344      1.00000
      4       3.0019      1.00000
      5       3.2675      1.00000
      6       3.7473      1.00000
      7       4.4206      1.00000
      8       4.6127      1.00000
      9       4.8106      1.00000
     10       4.9744      1.02754
     11       5.8415      0.22014
     12       9.9304      0.00000
     13      15.2131      0.00000
     14      18.9850      0.00000
     15      21.7976      0.00000
     16      24.0949      0.00000

 k-point   106 :       0.1875   -0.3125    0.1875
  band No.  band energies     occupation 
      1       0.3504      1.00000
      2       2.0965      1.00000
      3       2.1131      1.00000
      4       2.8653      1.00000
      5       2.9219      1.00000
      6       3.1687      1.00000
      7       4.5628      1.00000
      8       4.8913      1.00000
      9       4.9315      1.00000
     10       5.4782      1.00081
     11       5.5585      0.73101
     12      10.6836      0.00000
     13      15.1535      0.00000
     14      16.3003      0.00000
     15      21.7387      0.00000
     16      22.7037      0.00000

 k-point   107 :       0.3125   -0.3125    0.1875
  band No.  band energies     occupation 
      1       1.0335      1.00000
      2       1.9438      1.00000
      3       2.6301      1.00000
      4       2.7375      1.00000
      5       2.7513      1.00000
      6       2.9485      1.00000
      7       4.7269      1.00000
      8       4.8223      1.00000
      9       4.8586      1.00000
     10       5.5029      1.00067
     11       6.2559     -0.05786
     12      10.8908      0.00000
     13      13.5246      0.00000
     14      16.9270      0.00000
     15      19.1784      0.00000
     16      22.4716      0.00000

 k-point   108 :       0.4375   -0.3125    0.1875
  band No.  band energies     occupation 
      1       1.4311      1.00000
      2       1.6755      1.00000
      3       2.5344      1.00000
      4       2.5698      1.00000
      5       3.2907      1.00000
      6       3.3390      1.00000
      7       4.7195      1.00000
      8       4.7213      1.00000
      9       5.0286      1.00000
     10       5.3415      1.01876
     11       7.2819     -0.02206
     12       8.9638      0.00000
     13      14.5891      0.00000
     14      16.6311      0.00000
     15      18.4666      0.00000
     16      20.5275      0.00000

 k-point   109 :      -0.4375   -0.3125    0.1875
  band No.  band energies     occupation 
      1       1.4304      1.00000
      2       1.6763      1.00000
      3       2.5327      1.00000
      4       2.5715      1.00000
      5       3.2905      1.00000
      6       3.3393      1.00000
      7       4.7184      1.00000
      8       4.7223      1.00000
      9       5.0288      1.00000
     10       5.3398      1.00119
     11       7.2855     -0.02014
     12       8.9614      0.00000
     13      14.5896      0.00000
     14      16.6307      0.00000
     15      18.4671      0.00000
     16      20.5268      0.00000

 k-point   110 :      -0.3125   -0.3125    0.1875
  band No.  band energies     occupation 
      1       1.0334      1.00000
      2       1.9437      1.00000
      3       2.6273      1.00000
      4       2.7367      1.00000
      5       2.7549      1.00000
      6       2.9488      1.00000
      7       4.7258      1.00000
      8       4.8225      1.00000
      9       4.8584      1.00000
     10       5.5006      1.00000
     11       6.2602     -0.03816
     12      10.8892      0.00000
     13      13.5249      0.00000
     14      16.9278      0.00000
     15      19.1780      0.00000
     16      22.4702      0.00000

 k-point   111 :      -0.1875   -0.3125    0.1875
  band No.  band energies     occupation 
      1       0.3505      1.00000
      2       2.0957      1.00000
      3       2.1133      1.00000
      4       2.8634      1.00000
      5       2.9211      1.00000
      6       3.1725      1.00000
      7       4.5615      1.00000
      8       4.8914      1.00000
      9       4.9292      1.00000
     10       5.4823      1.00000
     11       5.5579      0.56616
     12      10.6831      0.00000
     13      15.1518      0.00000
     14      16.3025      0.00000
     15      21.7375      0.00000
     16      22.7044      0.00000

 k-point   112 :      -0.0625   -0.3125    0.1875
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7085      1.00000
      3       2.1342      1.00000
      4       3.0021      1.00000
      5       3.2657      1.00000
      6       3.7503      1.00000
      7       4.4193      1.00000
      8       4.6098      1.00000
      9       4.8134      1.00000
     10       4.9745      1.00220
     11       5.8417      0.18634
     12       9.9303      0.00000
     13      15.2129      0.00000
     14      18.9856      0.00000
     15      21.7974      0.00000
     16      24.0942      0.00000

 k-point   113 :       0.0625   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -1.1516      1.00000
      2       1.5160      1.00000
      3       1.6590      1.00000
      4       3.1317      1.00000
      5       3.3287      1.00000
      6       4.3292      1.00000
      7       4.3403      1.00000
      8       4.5669      1.00000
      9       4.7747      1.00000
     10       5.0866      1.00135
     11       5.9201      0.01958
     12      12.6007      0.00000
     13      14.2074      0.00000
     14      17.4368      0.00000
     15      23.4470      0.00000
     16      24.6202      0.00000

 k-point   114 :       0.1875   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.5912      1.00000
      2       1.8200      1.00000
      3       1.8202      1.00000
      4       3.0274      1.00000
      5       3.0317      1.00000
      6       3.6424      1.00000
      7       4.6946      1.00000
      8       4.6949      1.00000
      9       4.8344      1.00000
     10       5.4702      1.00000
     11       5.4746      1.13495
     12      13.5710      0.00000
     13      13.5732      0.00000
     14      15.4631      0.00000
     15      24.5171      0.00000
     16      24.5186      0.00000

 k-point   115 :       0.3125   -0.1875    0.1875
  band No.  band energies     occupation 
      1       0.3509      1.00000
      2       2.0963      1.00000
      3       2.1136      1.00000
      4       2.8627      1.00000
      5       2.9248      1.00000
      6       3.1682      1.00000
      7       4.5622      1.00000
      8       4.8917      1.00000
      9       4.9285      1.00000
     10       5.4777      1.00000
     11       5.5613      0.75427
     12      10.6847      0.00000
     13      15.1519      0.00000
     14      16.3014      0.00000
     15      21.7376      0.00000
     16      22.7056      0.00000

 k-point   116 :       0.4375   -0.1875    0.1875
  band No.  band energies     occupation 
      1       1.2571      1.00000
      2       1.8513      1.00000
      3       2.4041      1.00000
      4       2.6621      1.00000
      5       3.1283      1.00000
      6       3.2221      1.00000
      7       4.4701      1.00000
      8       4.5653      1.00000
      9       5.1075      1.00000
     10       5.3797      1.00000
     11       6.4110     -0.13395
     12       8.1124      0.00000
     13      17.0807      0.00000
     14      17.9285      0.00000
     15      19.2704      0.00000
     16      20.1110      0.00000

 k-point   117 :      -0.4375   -0.1875    0.1875
  band No.  band energies     occupation 
      1       1.2562      1.00000
      2       1.8523      1.00000
      3       2.4032      1.00000
      4       2.6631      1.00000
      5       3.1252      1.00000
      6       3.2251      1.00000
      7       4.4692      1.00000
      8       4.5662      1.00000
      9       5.1082      1.00000
     10       5.3774      1.00000
     11       6.4147     -0.12490
     12       8.1102      0.00000
     13      17.0807      0.00000
     14      17.9292      0.00000
     15      19.2703      0.00000
     16      20.1103      0.00000

 k-point   118 :      -0.3125   -0.1875    0.1875
  band No.  band energies     occupation 
      1       0.3505      1.00000
      2       2.0956      1.00000
      3       2.1133      1.00000
      4       2.8634      1.00000
      5       2.9211      1.00000
      6       3.1725      1.00000
      7       4.5614      1.00000
      8       4.8914      1.00000
      9       4.9292      1.00000
     10       5.4823      1.00000
     11       5.5579      0.56612
     12      10.6831      0.00000
     13      15.1518      0.00000
     14      16.3025      0.00000
     15      21.7375      0.00000
     16      22.7044      0.00000

 k-point   119 :      -0.1875   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.5913      1.00000
      2       1.8196      1.00000
      3       1.8199      1.00000
      4       3.0279      1.00000
      5       3.0280      1.00000
      6       3.6469      1.00000
      7       4.6941      1.00000
      8       4.6945      1.00000
      9       4.8390      1.00000
     10       5.4707      0.99968
     11       5.4708      1.02878
     12      13.5709      0.00000
     13      13.5709      0.00000
     14      15.4655      0.00000
     15      24.5170      0.00000
     16      24.5171      0.00000

 k-point   120 :      -0.0625   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -1.1516      1.00000
      2       1.5159      1.00000
      3       1.6589      1.00000
      4       3.1318      1.00000
      5       3.3262      1.00000
      6       4.3319      1.00000
      7       4.3442      1.00000
      8       4.5668      1.00000
      9       4.7746      1.00000
     10       5.0828      1.01744
     11       5.9203      0.06245
     12      12.6006      0.00000
     13      14.2068      0.00000
     14      17.4376      0.00000
     15      23.4463      0.00000
     16      24.6198      0.00000

 k-point   121 :       0.0625   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3501      1.00000
      3       1.3515      1.00000
      4       3.3640      1.00000
      5       3.4296      1.00000
      6       3.9121      1.00000
      7       4.4780      1.00000
      8       4.8386      1.00000
      9       4.9911      1.00000
     10       5.3909      1.01219
     11       5.8168      0.14513
     12      12.4737      0.00000
     13      16.4006      0.00000
     14      16.6777      0.00000
     15      22.5527      0.00000
     16      24.0205      0.00000

 k-point   122 :       0.1875   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.1514      1.00000
      2       1.5160      1.00000
      3       1.6591      1.00000
      4       3.1350      1.00000
      5       3.3267      1.00000
      6       4.3275      1.00000
      7       4.3398      1.00000
      8       4.5671      1.00000
      9       4.7747      1.00000
     10       5.0835      1.00000
     11       5.9235      0.08922
     12      12.6023      0.00000
     13      14.2056      0.00000
     14      17.4372      0.00000
     15      23.4464      0.00000
     16      24.6201      0.00000

 k-point   123 :       0.3125   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.1412      1.00000
      2       1.7086      1.00000
      3       2.1345      1.00000
      4       3.0046      1.00000
      5       3.2663      1.00000
      6       3.7461      1.00000
      7       4.4200      1.00000
      8       4.6097      1.00000
      9       4.8094      1.00000
     10       4.9741      1.00000
     11       5.8450      0.47384
     12       9.9314      0.00000
     13      15.2124      0.00000
     14      18.9854      0.00000
     15      21.7977      0.00000
     16      24.0942      0.00000

 k-point   124 :       0.4375   -0.0625    0.1875
  band No.  band energies     occupation 
      1       0.9210      1.00000
      2       1.5832      1.00000
      3       2.6178      1.00000
      4       2.9493      1.00000
      5       3.2256      1.00000
      6       3.3750      1.00000
      7       4.3525      1.00000
      8       4.3795      1.00000
      9       5.1570      1.00000
     10       5.5507      1.00152
     11       5.6992      0.63853
     12       7.3531      0.00000
     13      17.0593      0.00000
     14      19.2618      0.00000
     15      20.9667      0.00000
     16      23.1948      0.00000

 k-point   125 :      -0.4375   -0.0625    0.1875
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5834      1.00000
      3       2.6172      1.00000
      4       2.9493      1.00000
      5       3.2229      1.00000
      6       3.3787      1.00000
      7       4.3516      1.00000
      8       4.3801      1.00000
      9       5.1593      1.00000
     10       5.5477      1.00972
     11       5.7013      0.53180
     12       7.3518      0.00000
     13      17.0596      0.00000
     14      19.2615      0.00000
     15      20.9669      0.00000
     16      23.1944      0.00000

 k-point   126 :      -0.3125   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7084      1.00000
      3       2.1342      1.00000
      4       3.0021      1.00000
      5       3.2657      1.00000
      6       3.7504      1.00000
      7       4.4192      1.00000
      8       4.6098      1.00000
      9       4.8134      1.00000
     10       4.9746      1.00220
     11       5.8417      0.18622
     12       9.9303      0.00000
     13      15.2129      0.00000
     14      18.9856      0.00000
     15      21.7974      0.00000
     16      24.0942      0.00000

 k-point   127 :      -0.1875   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.1516      1.00000
      2       1.5158      1.00000
      3       1.6590      1.00000
      4       3.1319      1.00000
      5       3.3262      1.00000
      6       4.3319      1.00000
      7       4.3442      1.00000
      8       4.5667      1.00000
      9       4.7746      1.00000
     10       5.0828      1.01745
     11       5.9203      0.06241
     12      12.6006      0.00000
     13      14.2068      0.00000
     14      17.4376      0.00000
     15      23.4463      0.00000
     16      24.6198      0.00000

 k-point   128 :      -0.0625   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.7321      1.00000
      2       1.3500      1.00000
      3       1.3515      1.00000
      4       3.3637      1.00000
      5       3.4265      1.00000
      6       3.9158      1.00000
      7       4.4778      1.00000
      8       4.8386      1.00000
      9       4.9955      1.00000
     10       5.3878      1.06339
     11       5.8157      0.23384
     12      12.4734      0.00000
     13      16.3981      0.00000
     14      16.6807      0.00000
     15      22.5523      0.00000
     16      24.0204      0.00000

 k-point   129 :       0.0625    0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.6001      1.00000
      2       1.6581      1.00000
      3       1.8316      1.00000
      4       3.3834      1.00000
      5       3.3990      1.00000
      6       4.0830      1.00000
      7       4.2802      1.00000
      8       4.3658      1.00000
      9       4.7592      1.00000
     10       5.0640      1.00000
     11       5.5494      1.04964
     12       9.3874      0.00000
     13      18.1582      0.00000
     14      18.4522      0.00000
     15      23.1985      0.00000
     16      24.5789      0.00000

 k-point   130 :       0.1875    0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.1412      1.00000
      2       1.7085      1.00000
      3       2.1345      1.00000
      4       3.0048      1.00000
      5       3.2664      1.00000
      6       3.7460      1.00000
      7       4.4201      1.00000
      8       4.6099      1.00000
      9       4.8094      1.00000
     10       4.9738      1.00000
     11       5.8451      0.47369
     12       9.9313      0.00000
     13      15.2124      0.00000
     14      18.9854      0.00000
     15      21.7977      0.00000
     16      24.0942      0.00000

 k-point   131 :       0.3125    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.5063      1.00000
      2       1.5619      1.00000
      3       2.7239      1.00000
      4       2.7766      1.00000
      5       3.1922      1.00000
      6       3.5298      1.00000
      7       4.4708      1.00000
      8       4.6696      1.00000
      9       4.8576      1.00000
     10       5.4104      1.04629
     11       6.0022     -0.03652
     12       9.7366      0.00000
     13      13.4495      0.00000
     14      18.8289      0.00000
     15      20.2087      0.00000
     16      24.5980      0.00000

 k-point   132 :       0.4375    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9829      1.00000
      2       1.3027      1.00000
      3       2.6476      1.00000
      4       2.8022      1.00000
      5       3.4427      1.00000
      6       3.8331      1.00000
      7       4.5706      1.00000
      8       4.7096      1.00000
      9       5.2708      1.00000
     10       5.8625      0.52110
     11       6.1121     -0.01203
     12       7.7578      0.00000
     13      14.3430      0.00000
     14      16.2996      0.00000
     15      21.8470      0.00000
     16      23.6946      0.00000

 k-point   133 :      -0.4375    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9826      1.00000
      2       1.3026      1.00000
      3       2.6443      1.00000
      4       2.8052      1.00000
      5       3.4424      1.00000
      6       3.8340      1.00000
      7       4.5714      1.00000
      8       4.7097      1.00000
      9       5.2729      1.00000
     10       5.8591      0.47754
     11       6.1128     -0.02418
     12       7.7572      0.00000
     13      14.3434      0.00000
     14      16.2993      0.00000
     15      21.8467      0.00000
     16      23.6943      0.00000

 k-point   134 :      -0.3125    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.5057      1.00000
      2       1.5617      1.00000
      3       2.7206      1.00000
      4       2.7766      1.00000
      5       3.1945      1.00000
      6       3.5319      1.00000
      7       4.4725      1.00000
      8       4.6697      1.00000
      9       4.8577      1.00000
     10       5.4121      1.11934
     11       5.9988      0.01829
     12       9.7354      0.00000
     13      13.4505      0.00000
     14      18.8287      0.00000
     15      20.2083      0.00000
     16      24.5985      0.00000

 k-point   135 :      -0.1875    0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7084      1.00000
      3       2.1344      1.00000
      4       3.0020      1.00000
      5       3.2676      1.00000
      6       3.7473      1.00000
      7       4.4205      1.00000
      8       4.6127      1.00000
      9       4.8104      1.00000
     10       4.9745      1.02754
     11       5.8415      0.22021
     12       9.9304      0.00000
     13      15.2131      0.00000
     14      18.9850      0.00000
     15      21.7977      0.00000
     16      24.0949      0.00000

 k-point   136 :      -0.0625    0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.6002      1.00000
      2       1.6580      1.00000
      3       1.8315      1.00000
      4       3.3860      1.00000
      5       3.3951      1.00000
      6       4.0834      1.00000
      7       4.2813      1.00000
      8       4.3654      1.00000
      9       4.7624      1.00000
     10       5.0641      1.00000
     11       5.5468      1.13928
     12       9.3871      0.00000
     13      18.1605      0.00000
     14      18.4498      0.00000
     15      23.1992      0.00000
     16      24.5798      0.00000

 k-point   137 :       0.0625    0.1875    0.3125
  band No.  band energies     occupation 
      1      -0.1412      1.00000
      2       1.7086      1.00000
      3       2.1345      1.00000
      4       3.0048      1.00000
      5       3.2664      1.00000
      6       3.7460      1.00000
      7       4.4201      1.00000
      8       4.6099      1.00000
      9       4.8094      1.00000
     10       4.9738      1.00000
     11       5.8451      0.47375
     12       9.9313      0.00000
     13      15.2124      0.00000
     14      18.9854      0.00000
     15      21.7977      0.00000
     16      24.0942      0.00000

 k-point   138 :       0.1875    0.1875    0.3125
  band No.  band energies     occupation 
      1       0.3509      1.00000
      2       2.0963      1.00000
      3       2.1134      1.00000
      4       2.8630      1.00000
      5       2.9248      1.00000
      6       3.1680      1.00000
      7       4.5622      1.00000
      8       4.8915      1.00000
      9       4.9288      1.00000
     10       5.4775      1.00000
     11       5.5614      0.75419
     12      10.6846      0.00000
     13      15.1518      0.00000
     14      16.3015      0.00000
     15      21.7376      0.00000
     16      22.7057      0.00000

 k-point   139 :       0.3125    0.1875    0.3125
  band No.  band energies     occupation 
      1       1.0335      1.00000
      2       1.9437      1.00000
      3       2.6301      1.00000
      4       2.7372      1.00000
      5       2.7512      1.00000
      6       2.9488      1.00000
      7       4.7269      1.00000
      8       4.8227      1.00000
      9       4.8583      1.00000
     10       5.5030      1.00067
     11       6.2558     -0.05788
     12      10.8907      0.00000
     13      13.5246      0.00000
     14      16.9271      0.00000
     15      19.1784      0.00000
     16      22.4716      0.00000

 k-point   140 :       0.4375    0.1875    0.3125
  band No.  band energies     occupation 
      1       1.4300      1.00000
      2       1.6753      1.00000
      3       2.5358      1.00000
      4       2.5693      1.00000
      5       3.2914      1.00000
      6       3.3388      1.00000
      7       4.7198      1.00000
      8       4.7229      1.00000
      9       5.0281      1.00000
     10       5.3411      1.04208
     11       7.2821      0.00000
     12       8.9621      0.00000
     13      14.5897      0.00000
     14      16.6313      0.00000
     15      18.4666      0.00000
     16      20.5269      0.00000

 k-point   141 :      -0.4375    0.1875    0.3125
  band No.  band energies     occupation 
      1       1.4299      1.00000
      2       1.6748      1.00000
      3       2.5323      1.00000
      4       2.5721      1.00000
      5       3.2906      1.00000
      6       3.3412      1.00000
      7       4.7201      1.00000
      8       4.7235      1.00000
      9       5.0286      1.00000
     10       5.3390      1.07433
     11       7.2825     -0.01140
     12       8.9616      0.00000
     13      14.5900      0.00000
     14      16.6312      0.00000
     15      18.4664      0.00000
     16      20.5267      0.00000

 k-point   142 :      -0.3125    0.1875    0.3125
  band No.  band energies     occupation 
      1       1.0329      1.00000
      2       1.9432      1.00000
      3       2.6269      1.00000
      4       2.7371      1.00000
      5       2.7529      1.00000
      6       2.9520      1.00000
      7       4.7270      1.00000
      8       4.8251      1.00000
      9       4.8585      1.00000
     10       5.4999      1.01732
     11       6.2563     -0.03230
     12      10.8893      0.00000
     13      13.5259      0.00000
     14      16.9267      0.00000
     15      19.1785      0.00000
     16      22.4703      0.00000

 k-point   143 :      -0.1875    0.1875    0.3125
  band No.  band energies     occupation 
      1       0.3504      1.00000
      2       2.0965      1.00000
      3       2.1129      1.00000
      4       2.8656      1.00000
      5       2.9218      1.00000
      6       3.1688      1.00000
      7       4.5627      1.00000
      8       4.8911      1.00000
      9       4.9318      1.00000
     10       5.4782      1.00081
     11       5.5583      0.73130
     12      10.6835      0.00000
     13      15.1535      0.00000
     14      16.3003      0.00000
     15      21.7388      0.00000
     16      22.7036      0.00000

 k-point   144 :      -0.0625    0.1875    0.3125
  band No.  band energies     occupation 
      1      -0.1413      1.00000
      2       1.7085      1.00000
      3       2.1345      1.00000
      4       3.0055      1.00000
      5       3.2654      1.00000
      6       3.7461      1.00000
      7       4.4203      1.00000
      8       4.6107      1.00000
      9       4.8091      1.00000
     10       4.9743      1.00000
     11       5.8444      0.22483
     12       9.9309      0.00000
     13      15.2126      0.00000
     14      18.9853      0.00000
     15      21.7978      0.00000
     16      24.0944      0.00000

 k-point   145 :       0.0625    0.3125    0.3125
  band No.  band energies     occupation 
      1       0.5063      1.00000
      2       1.5619      1.00000
      3       2.7238      1.00000
      4       2.7766      1.00000
      5       3.1921      1.00000
      6       3.5299      1.00000
      7       4.4709      1.00000
      8       4.6696      1.00000
      9       4.8575      1.00000
     10       5.4103      1.04629
     11       6.0022     -0.03651
     12       9.7366      0.00000
     13      13.4496      0.00000
     14      18.8289      0.00000
     15      20.2087      0.00000
     16      24.5980      0.00000

 k-point   146 :       0.1875    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.0336      1.00000
      2       1.9437      1.00000
      3       2.6301      1.00000
      4       2.7372      1.00000
      5       2.7512      1.00000
      6       2.9488      1.00000
      7       4.7269      1.00000
      8       4.8228      1.00000
      9       4.8583      1.00000
     10       5.5029      1.00067
     11       6.2558     -0.05788
     12      10.8906      0.00000
     13      13.5246      0.00000
     14      16.9271      0.00000
     15      19.1784      0.00000
     16      22.4715      0.00000

 k-point   147 :       0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.8372      1.00000
      2       2.2216      1.00000
      3       2.5130      1.00000
      4       2.5168      1.00000
      5       2.6403      1.00000
      6       2.6411      1.00000
      7       4.8482      1.00000
      8       4.8484      1.00000
      9       5.0696      1.00000
     10       5.0725      1.00000
     11       7.2896     -0.00975
     12      12.6249      0.00000
     13      12.6269      0.00000
     14      15.2883      0.00000
     15      19.6481      0.00000
     16      19.6500      0.00000

 k-point   148 :       0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.9838      1.00000
      2       2.0017      1.00000
      3       2.4671      1.00000
      4       2.5223      1.00000
      5       2.9045      1.00000
      6       3.0591      1.00000
      7       4.8357      1.00000
      8       4.8757      1.00000
      9       4.9705      1.00000
     10       5.0866      1.00000
     11       8.5609      0.00000
     12      10.3805      0.00000
     13      14.7005      0.00000
     14      16.1152      0.00000
     15      17.0475      0.00000
     16      17.9222      0.00000

 k-point   149 :      -0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.9837      1.00000
      2       2.0017      1.00000
      3       2.4669      1.00000
      4       2.5226      1.00000
      5       2.9045      1.00000
      6       3.0592      1.00000
      7       4.8360      1.00000
      8       4.8753      1.00000
      9       4.9706      1.00000
     10       5.0864      1.00000
     11       8.5609      0.00000
     12      10.3806      0.00000
     13      14.7006      0.00000
     14      16.1151      0.00000
     15      17.0474      0.00000
     16      17.9223      0.00000

 k-point   150 :      -0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.8372      1.00000
      2       2.2216      1.00000
      3       2.5128      1.00000
      4       2.5167      1.00000
      5       2.6403      1.00000
      6       2.6414      1.00000
      7       4.8483      1.00000
      8       4.8486      1.00000
      9       5.0693      1.00000
     10       5.0724      1.00000
     11       7.2896     -0.00975
     12      12.6249      0.00000
     13      12.6271      0.00000
     14      15.2882      0.00000
     15      19.6482      0.00000
     16      19.6499      0.00000

 k-point   151 :      -0.1875    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.0336      1.00000
      2       1.9437      1.00000
      3       2.6300      1.00000
      4       2.7374      1.00000
      5       2.7513      1.00000
      6       2.9487      1.00000
      7       4.7269      1.00000
      8       4.8227      1.00000
      9       4.8584      1.00000
     10       5.5027      1.00067
     11       6.2558     -0.05787
     12      10.8908      0.00000
     13      13.5246      0.00000
     14      16.9270      0.00000
     15      19.1784      0.00000
     16      22.4715      0.00000

 k-point   152 :      -0.0625    0.3125    0.3125
  band No.  band energies     occupation 
      1       0.5063      1.00000
      2       1.5619      1.00000
      3       2.7238      1.00000
      4       2.7767      1.00000
      5       3.1922      1.00000
      6       3.5298      1.00000
      7       4.4708      1.00000
      8       4.6696      1.00000
      9       4.8576      1.00000
     10       5.4104      1.04628
     11       6.0021     -0.03646
     12       9.7366      0.00000
     13      13.4496      0.00000
     14      18.8289      0.00000
     15      20.2087      0.00000
     16      24.5980      0.00000

 k-point   153 :       0.0625    0.4375    0.3125
  band No.  band energies     occupation 
      1       0.9830      1.00000
      2       1.3026      1.00000
      3       2.6476      1.00000
      4       2.8021      1.00000
      5       3.4427      1.00000
      6       3.8331      1.00000
      7       4.5707      1.00000
      8       4.7096      1.00000
      9       5.2707      1.00000
     10       5.8625      0.52124
     11       6.1121     -0.01203
     12       7.7578      0.00000
     13      14.3430      0.00000
     14      16.2996      0.00000
     15      21.8470      0.00000
     16      23.6946      0.00000

 k-point   154 :       0.1875    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.4300      1.00000
      2       1.6753      1.00000
      3       2.5358      1.00000
      4       2.5693      1.00000
      5       3.2914      1.00000
      6       3.3388      1.00000
      7       4.7198      1.00000
      8       4.7230      1.00000
      9       5.0280      1.00000
     10       5.3410      1.04208
     11       7.2821      0.00000
     12       8.9621      0.00000
     13      14.5897      0.00000
     14      16.6313      0.00000
     15      18.4666      0.00000
     16      20.5269      0.00000

 k-point   155 :       0.3125    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9838      1.00000
      2       2.0016      1.00000
      3       2.4672      1.00000
      4       2.5223      1.00000
      5       2.9044      1.00000
      6       3.0591      1.00000
      7       4.8357      1.00000
      8       4.8757      1.00000
      9       4.9704      1.00000
     10       5.0865      1.00000
     11       8.5610      0.00000
     12      10.3805      0.00000
     13      14.7006      0.00000
     14      16.1152      0.00000
     15      17.0475      0.00000
     16      17.9222      0.00000

 k-point   156 :       0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9856      1.00000
      2       2.0452      1.00000
      3       2.3611      1.00000
      4       2.4492      1.00000
      5       3.2069      1.00000
      6       3.2587      1.00000
      7       4.9142      1.00000
      8       4.9223      1.00000
      9       4.9523      1.00000
     10       5.0010      1.00000
     11       9.9465      0.00000
     12      11.1441      0.00000
     13      13.5961      0.00000
     14      14.9509      0.00000
     15      16.9704      0.00000
     16      18.5450      0.00000

 k-point   157 :      -0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9868      1.00000
      2       2.0451      1.00000
      3       2.3641      1.00000
      4       2.4458      1.00000
      5       3.2040      1.00000
      6       3.2608      1.00000
      7       4.9149      1.00000
      8       4.9211      1.00000
      9       4.9523      1.00000
     10       5.0017      1.00000
     11       9.9459      0.00000
     12      11.1459      0.00000
     13      13.5950      0.00000
     14      14.9507      0.00000
     15      16.9703      0.00000
     16      18.5465      0.00000

 k-point   158 :      -0.3125    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9874      1.00000
      2       2.0025      1.00000
      3       2.4644      1.00000
      4       2.5211      1.00000
      5       2.9038      1.00000
      6       3.0592      1.00000
      7       4.8356      1.00000
      8       4.8739      1.00000
      9       4.9709      1.00000
     10       5.0877      1.00000
     11       8.5607      0.00000
     12      10.3825      0.00000
     13      14.6991      0.00000
     14      16.1158      0.00000
     15      17.0461      0.00000
     16      17.9242      0.00000

 k-point   159 :      -0.1875    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.4313      1.00000
      2       1.6755      1.00000
      3       2.5343      1.00000
      4       2.5697      1.00000
      5       3.2906      1.00000
      6       3.3390      1.00000
      7       4.7195      1.00000
      8       4.7217      1.00000
      9       5.0286      1.00000
     10       5.3413      1.01874
     11       7.2818     -0.02209
     12       8.9637      0.00000
     13      14.5892      0.00000
     14      16.6311      0.00000
     15      18.4666      0.00000
     16      20.5275      0.00000

 k-point   160 :      -0.0625    0.4375    0.3125
  band No.  band energies     occupation 
      1       0.9833      1.00000
      2       1.3027      1.00000
      3       2.6473      1.00000
      4       2.8024      1.00000
      5       3.4425      1.00000
      6       3.8330      1.00000
      7       4.5703      1.00000
      8       4.7094      1.00000
      9       5.2714      1.00000
     10       5.8621      0.58965
     11       6.1116     -0.05653
     12       7.7587      0.00000
     13      14.3429      0.00000
     14      16.2996      0.00000
     15      21.8471      0.00000
     16      23.6951      0.00000

 k-point   161 :       0.0625   -0.4375    0.3125
  band No.  band energies     occupation 
      1       0.9826      1.00000
      2       1.3027      1.00000
      3       2.6443      1.00000
      4       2.8052      1.00000
      5       3.4424      1.00000
      6       3.8340      1.00000
      7       4.5713      1.00000
      8       4.7098      1.00000
      9       5.2728      1.00000
     10       5.8590      0.47773
     11       6.1129     -0.02419
     12       7.7572      0.00000
     13      14.3435      0.00000
     14      16.2993      0.00000
     15      21.8467      0.00000
     16      23.6943      0.00000

 k-point   162 :       0.1875   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.4299      1.00000
      2       1.6749      1.00000
      3       2.5323      1.00000
      4       2.5721      1.00000
      5       3.2906      1.00000
      6       3.3412      1.00000
      7       4.7202      1.00000
      8       4.7235      1.00000
      9       5.0285      1.00000
     10       5.3389      1.07434
     11       7.2825     -0.01141
     12       8.9616      0.00000
     13      14.5901      0.00000
     14      16.6312      0.00000
     15      18.4664      0.00000
     16      20.5267      0.00000

 k-point   163 :       0.3125   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9837      1.00000
      2       2.0018      1.00000
      3       2.4669      1.00000
      4       2.5226      1.00000
      5       2.9044      1.00000
      6       3.0592      1.00000
      7       4.8361      1.00000
      8       4.8753      1.00000
      9       4.9706      1.00000
     10       5.0863      1.00000
     11       8.5610      0.00000
     12      10.3806      0.00000
     13      14.7007      0.00000
     14      16.1151      0.00000
     15      17.0474      0.00000
     16      17.9223      0.00000

 k-point   164 :       0.4375   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9868      1.00000
      2       2.0451      1.00000
      3       2.3641      1.00000
      4       2.4458      1.00000
      5       3.2040      1.00000
      6       3.2609      1.00000
      7       4.9149      1.00000
      8       4.9210      1.00000
      9       4.9523      1.00000
     10       5.0016      1.00000
     11       9.9459      0.00000
     12      11.1460      0.00000
     13      13.5950      0.00000
     14      14.9507      0.00000
     15      16.9703      0.00000
     16      18.5465      0.00000

 k-point   165 :      -0.4375   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9891      1.00000
      2       2.0451      1.00000
      3       2.3613      1.00000
      4       2.4464      1.00000
      5       3.2061      1.00000
      6       3.2584      1.00000
      7       4.9139      1.00000
      8       4.9217      1.00000
      9       4.9522      1.00000
     10       5.0014      1.00000
     11       9.9486      0.00000
     12      11.1441      0.00000
     13      13.5954      0.00000
     14      14.9500      0.00000
     15      16.9712      0.00000
     16      18.5449      0.00000

 k-point   166 :      -0.3125   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.9848      1.00000
      2       2.0059      1.00000
      3       2.4651      1.00000
      4       2.5203      1.00000
      5       2.9040      1.00000
      6       3.0582      1.00000
      7       4.8349      1.00000
      8       4.8748      1.00000
      9       4.9707      1.00000
     10       5.0866      1.00000
     11       8.5639     -0.00636
     12      10.3801      0.00000
     13      14.6991      0.00000
     14      16.1169      0.00000
     15      17.0460      0.00000
     16      17.9230      0.00000

 k-point   167 :      -0.1875   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.4304      1.00000
      2       1.6766      1.00000
      3       2.5326      1.00000
      4       2.5714      1.00000
      5       3.2904      1.00000
      6       3.3393      1.00000
      7       4.7187      1.00000
      8       4.7223      1.00000
      9       5.0287      1.00000
     10       5.3398      1.00119
     11       7.2855     -0.02016
     12       8.9613      0.00000
     13      14.5896      0.00000
     14      16.6307      0.00000
     15      18.4671      0.00000
     16      20.5269      0.00000

 k-point   168 :      -0.0625   -0.4375    0.3125
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3031      1.00000
      3       2.6444      1.00000
      4       2.8054      1.00000
      5       3.4423      1.00000
      6       3.8334      1.00000
      7       4.5707      1.00000
      8       4.7087      1.00000
      9       5.2717      1.00000
     10       5.8596      0.69578
     11       6.1155     -0.03891
     12       7.7570      0.00000
     13      14.3434      0.00000
     14      16.2992      0.00000
     15      21.8473      0.00000
     16      23.6944      0.00000

 k-point   169 :       0.0625   -0.3125    0.3125
  band No.  band energies     occupation 
      1       0.5057      1.00000
      2       1.5618      1.00000
      3       2.7206      1.00000
      4       2.7765      1.00000
      5       3.1945      1.00000
      6       3.5319      1.00000
      7       4.4724      1.00000
      8       4.6699      1.00000
      9       4.8576      1.00000
     10       5.4121      1.11936
     11       5.9988      0.01834
     12       9.7354      0.00000
     13      13.4505      0.00000
     14      18.8287      0.00000
     15      20.2083      0.00000
     16      24.5985      0.00000

 k-point   170 :       0.1875   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.0329      1.00000
      2       1.9433      1.00000
      3       2.6268      1.00000
      4       2.7371      1.00000
      5       2.7529      1.00000
      6       2.9520      1.00000
      7       4.7271      1.00000
      8       4.8250      1.00000
      9       4.8584      1.00000
     10       5.4998      1.01732
     11       6.2563     -0.03229
     12      10.8893      0.00000
     13      13.5259      0.00000
     14      16.9267      0.00000
     15      19.1785      0.00000
     16      22.4703      0.00000

 k-point   171 :       0.3125   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.8372      1.00000
      2       2.2217      1.00000
      3       2.5127      1.00000
      4       2.5167      1.00000
      5       2.6403      1.00000
      6       2.6415      1.00000
      7       4.8483      1.00000
      8       4.8487      1.00000
      9       5.0692      1.00000
     10       5.0723      1.00000
     11       7.2897     -0.00975
     12      12.6249      0.00000
     13      12.6271      0.00000
     14      15.2882      0.00000
     15      19.6482      0.00000
     16      19.6499      0.00000

 k-point   172 :       0.4375   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.9873      1.00000
      2       2.0025      1.00000
      3       2.4643      1.00000
      4       2.5211      1.00000
      5       2.9038      1.00000
      6       3.0593      1.00000
      7       4.8355      1.00000
      8       4.8738      1.00000
      9       4.9709      1.00000
     10       5.0877      1.00000
     11       8.5607      0.00000
     12      10.3826      0.00000
     13      14.6991      0.00000
     14      16.1158      0.00000
     15      17.0461      0.00000
     16      17.9241      0.00000

 k-point   173 :      -0.4375   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.9848      1.00000
      2       2.0058      1.00000
      3       2.4651      1.00000
      4       2.5202      1.00000
      5       2.9041      1.00000
      6       3.0582      1.00000
      7       4.8348      1.00000
      8       4.8747      1.00000
      9       4.9707      1.00000
     10       5.0867      1.00000
     11       8.5639     -0.00636
     12      10.3802      0.00000
     13      14.6990      0.00000
     14      16.1169      0.00000
     15      17.0460      0.00000
     16      17.9230      0.00000

 k-point   174 :      -0.3125   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.8380      1.00000
      2       2.2261      1.00000
      3       2.5133      1.00000
      4       2.5134      1.00000
      5       2.6394      1.00000
      6       2.6398      1.00000
      7       4.8477      1.00000
      8       4.8481      1.00000
      9       5.0701      1.00000
     10       5.0702      1.00000
     11       7.2934     -0.09809
     12      12.6248      0.00000
     13      12.6249      0.00000
     14      15.2901      0.00000
     15      19.6480      0.00000
     16      19.6481      0.00000

 k-point   175 :      -0.1875   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.0334      1.00000
      2       1.9441      1.00000
      3       2.6272      1.00000
      4       2.7365      1.00000
      5       2.7547      1.00000
      6       2.9488      1.00000
      7       4.7263      1.00000
      8       4.8225      1.00000
      9       4.8581      1.00000
     10       5.5006      1.00000
     11       6.2601     -0.03818
     12      10.8891      0.00000
     13      13.5250      0.00000
     14      16.9278      0.00000
     15      19.1780      0.00000
     16      22.4703      0.00000

 k-point   176 :      -0.0625   -0.3125    0.3125
  band No.  band energies     occupation 
      1       0.5059      1.00000
      2       1.5619      1.00000
      3       2.7207      1.00000
      4       2.7763      1.00000
      5       3.1959      1.00000
      6       3.5302      1.00000
      7       4.4709      1.00000
      8       4.6689      1.00000
      9       4.8575      1.00000
     10       5.4147      1.01764
     11       5.9991      0.00000
     12       9.7353      0.00000
     13      13.4503      0.00000
     14      18.8286      0.00000
     15      20.2089      0.00000
     16      24.5979      0.00000

 k-point   177 :       0.0625   -0.1875    0.3125
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7084      1.00000
      3       2.1344      1.00000
      4       3.0020      1.00000
      5       3.2675      1.00000
      6       3.7473      1.00000
      7       4.4206      1.00000
      8       4.6127      1.00000
      9       4.8104      1.00000
     10       4.9744      1.02753
     11       5.8415      0.22038
     12       9.9304      0.00000
     13      15.2131      0.00000
     14      18.9850      0.00000
     15      21.7977      0.00000
     16      24.0949      0.00000

 k-point   178 :       0.1875   -0.1875    0.3125
  band No.  band energies     occupation 
      1       0.3504      1.00000
      2       2.0966      1.00000
      3       2.1130      1.00000
      4       2.8655      1.00000
      5       2.9218      1.00000
      6       3.1688      1.00000
      7       4.5628      1.00000
      8       4.8912      1.00000
      9       4.9317      1.00000
     10       5.4782      1.00081
     11       5.5583      0.73138
     12      10.6836      0.00000
     13      15.1536      0.00000
     14      16.3003      0.00000
     15      21.7388      0.00000
     16      22.7036      0.00000

 k-point   179 :       0.3125   -0.1875    0.3125
  band No.  band energies     occupation 
      1       1.0336      1.00000
      2       1.9437      1.00000
      3       2.6300      1.00000
      4       2.7374      1.00000
      5       2.7514      1.00000
      6       2.9486      1.00000
      7       4.7269      1.00000
      8       4.8226      1.00000
      9       4.8585      1.00000
     10       5.5027      1.00067
     11       6.2559     -0.05786
     12      10.8908      0.00000
     13      13.5246      0.00000
     14      16.9270      0.00000
     15      19.1784      0.00000
     16      22.4715      0.00000

 k-point   180 :       0.4375   -0.1875    0.3125
  band No.  band energies     occupation 
      1       1.4313      1.00000
      2       1.6755      1.00000
      3       2.5343      1.00000
      4       2.5697      1.00000
      5       3.2907      1.00000
      6       3.3390      1.00000
      7       4.7195      1.00000
      8       4.7216      1.00000
      9       5.0286      1.00000
     10       5.3413      1.01874
     11       7.2819     -0.02207
     12       8.9638      0.00000
     13      14.5892      0.00000
     14      16.6311      0.00000
     15      18.4666      0.00000
     16      20.5275      0.00000

 k-point   181 :      -0.4375   -0.1875    0.3125
  band No.  band energies     occupation 
      1       1.4304      1.00000
      2       1.6765      1.00000
      3       2.5326      1.00000
      4       2.5714      1.00000
      5       3.2904      1.00000
      6       3.3393      1.00000
      7       4.7186      1.00000
      8       4.7223      1.00000
      9       5.0287      1.00000
     10       5.3398      1.00119
     11       7.2855     -0.02015
     12       8.9613      0.00000
     13      14.5896      0.00000
     14      16.6307      0.00000
     15      18.4671      0.00000
     16      20.5269      0.00000

 k-point   182 :      -0.3125   -0.1875    0.3125
  band No.  band energies     occupation 
      1       1.0334      1.00000
      2       1.9441      1.00000
      3       2.6273      1.00000
      4       2.7365      1.00000
      5       2.7548      1.00000
      6       2.9488      1.00000
      7       4.7262      1.00000
      8       4.8225      1.00000
      9       4.8582      1.00000
     10       5.5006      1.00000
     11       6.2601     -0.03818
     12      10.8891      0.00000
     13      13.5250      0.00000
     14      16.9278      0.00000
     15      19.1780      0.00000
     16      22.4703      0.00000

 k-point   183 :      -0.1875   -0.1875    0.3125
  band No.  band energies     occupation 
      1       0.3505      1.00000
      2       2.0959      1.00000
      3       2.1133      1.00000
      4       2.8635      1.00000
      5       2.9210      1.00000
      6       3.1723      1.00000
      7       4.5618      1.00000
      8       4.8913      1.00000
      9       4.9292      1.00000
     10       5.4822      1.00000
     11       5.5579      0.56629
     12      10.6831      0.00000
     13      15.1518      0.00000
     14      16.3025      0.00000
     15      21.7374      0.00000
     16      22.7045      0.00000

 k-point   184 :      -0.0625   -0.1875    0.3125
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7084      1.00000
      3       2.1343      1.00000
      4       3.0021      1.00000
      5       3.2657      1.00000
      6       3.7503      1.00000
      7       4.4195      1.00000
      8       4.6098      1.00000
      9       4.8135      1.00000
     10       4.9742      1.00220
     11       5.8417      0.18653
     12       9.9303      0.00000
     13      15.2129      0.00000
     14      18.9856      0.00000
     15      21.7974      0.00000
     16      24.0942      0.00000

 k-point   185 :       0.0625   -0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.6002      1.00000
      2       1.6580      1.00000
      3       1.8316      1.00000
      4       3.3859      1.00000
      5       3.3950      1.00000
      6       4.0835      1.00000
      7       4.2813      1.00000
      8       4.3655      1.00000
      9       4.7624      1.00000
     10       5.0641      1.00000
     11       5.5467      1.13931
     12       9.3871      0.00000
     13      18.1605      0.00000
     14      18.4498      0.00000
     15      23.1992      0.00000
     16      24.5798      0.00000

 k-point   186 :       0.1875   -0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.1413      1.00000
      2       1.7085      1.00000
      3       2.1345      1.00000
      4       3.0055      1.00000
      5       3.2653      1.00000
      6       3.7462      1.00000
      7       4.4203      1.00000
      8       4.6106      1.00000
      9       4.8092      1.00000
     10       4.9743      1.00000
     11       5.8444      0.22488
     12       9.9310      0.00000
     13      15.2126      0.00000
     14      18.9853      0.00000
     15      21.7978      0.00000
     16      24.0944      0.00000

 k-point   187 :       0.3125   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.5063      1.00000
      2       1.5619      1.00000
      3       2.7238      1.00000
      4       2.7767      1.00000
      5       3.1923      1.00000
      6       3.5298      1.00000
      7       4.4707      1.00000
      8       4.6697      1.00000
      9       4.8576      1.00000
     10       5.4104      1.04628
     11       6.0021     -0.03646
     12       9.7367      0.00000
     13      13.4496      0.00000
     14      18.8289      0.00000
     15      20.2087      0.00000
     16      24.5980      0.00000

 k-point   188 :       0.4375   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9832      1.00000
      2       1.3027      1.00000
      3       2.6473      1.00000
      4       2.8025      1.00000
      5       3.4425      1.00000
      6       3.8330      1.00000
      7       4.5701      1.00000
      8       4.7094      1.00000
      9       5.2714      1.00000
     10       5.8621      0.58964
     11       6.1117     -0.05656
     12       7.7588      0.00000
     13      14.3428      0.00000
     14      16.2996      0.00000
     15      21.8471      0.00000
     16      23.6951      0.00000

 k-point   189 :      -0.4375   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9828      1.00000
      2       1.3030      1.00000
      3       2.6445      1.00000
      4       2.8054      1.00000
      5       3.4423      1.00000
      6       3.8334      1.00000
      7       4.5707      1.00000
      8       4.7086      1.00000
      9       5.2717      1.00000
     10       5.8596      0.69574
     11       6.1156     -0.03890
     12       7.7570      0.00000
     13      14.3433      0.00000
     14      16.2992      0.00000
     15      21.8473      0.00000
     16      23.6944      0.00000

 k-point   190 :      -0.3125   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.5059      1.00000
      2       1.5619      1.00000
      3       2.7207      1.00000
      4       2.7764      1.00000
      5       3.1959      1.00000
      6       3.5302      1.00000
      7       4.4709      1.00000
      8       4.6688      1.00000
      9       4.8576      1.00000
     10       5.4148      1.01764
     11       5.9991      0.00000
     12       9.7353      0.00000
     13      13.4503      0.00000
     14      18.8286      0.00000
     15      20.2089      0.00000
     16      24.5979      0.00000

 k-point   191 :      -0.1875   -0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.1415      1.00000
      2       1.7084      1.00000
      3       2.1343      1.00000
      4       3.0021      1.00000
      5       3.2657      1.00000
      6       3.7503      1.00000
      7       4.4194      1.00000
      8       4.6098      1.00000
      9       4.8135      1.00000
     10       4.9742      1.00220
     11       5.8417      0.18647
     12       9.9302      0.00000
     13      15.2129      0.00000
     14      18.9856      0.00000
     15      21.7974      0.00000
     16      24.0942      0.00000

 k-point   192 :      -0.0625   -0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.6003      1.00000
      2       1.6580      1.00000
      3       1.8314      1.00000
      4       3.3838      1.00000
      5       3.3949      1.00000
      6       4.0826      1.00000
      7       4.2846      1.00000
      8       4.3698      1.00000
      9       4.7594      1.00000
     10       5.0640      1.00000
     11       5.5457      1.10563
     12       9.3869      0.00000
     13      18.1582      0.00000
     14      18.4526      0.00000
     15      23.1986      0.00000
     16      24.5789      0.00000

 k-point   193 :       0.0625    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.7134      1.00000
      2       1.5767      1.00000
      3       2.4549      1.00000
      4       3.0766      1.00000
      5       3.5878      1.00000
      6       3.8928      1.00000
      7       3.9277      1.00000
      8       4.2216      1.00000
      9       4.7118      1.00000
     10       5.1493      1.00000
     11       5.5740      0.98360
     12       6.9429      0.00000
     13      20.2329      0.00000
     14      20.6819      0.00000
     15      22.3641      0.00000
     16      23.2128      0.00000

 k-point   194 :       0.1875    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9209      1.00000
      2       1.5831      1.00000
      3       2.6178      1.00000
      4       2.9496      1.00000
      5       3.2255      1.00000
      6       3.3749      1.00000
      7       4.3525      1.00000
      8       4.3796      1.00000
      9       5.1570      1.00000
     10       5.5509      1.00152
     11       5.6989      0.63886
     12       7.3530      0.00000
     13      17.0593      0.00000
     14      19.2618      0.00000
     15      20.9667      0.00000
     16      23.1948      0.00000

 k-point   195 :       0.3125    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9832      1.00000
      2       1.3027      1.00000
      3       2.6474      1.00000
      4       2.8024      1.00000
      5       3.4425      1.00000
      6       3.8331      1.00000
      7       4.5701      1.00000
      8       4.7093      1.00000
      9       5.2714      1.00000
     10       5.8623      0.58913
     11       6.1116     -0.05649
     12       7.7586      0.00000
     13      14.3428      0.00000
     14      16.2996      0.00000
     15      21.8471      0.00000
     16      23.6951      0.00000

 k-point   196 :       0.4375    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9552      1.00000
      2       1.0485      1.00000
      3       2.4509      1.00000
      4       2.5057      1.00000
      5       4.3393      1.00000
      6       4.7360      1.00000
      7       4.7593      1.00000
      8       4.9280      1.00000
      9       5.2278      1.00000
     10       5.8495      0.31084
     11       6.6581      0.00000
     12       7.4698      0.00000
     13      13.2128      0.00000
     14      14.1043      0.00000
     15      22.9900      0.00000
     16      23.8716      0.00000

 k-point   197 :      -0.4375    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0486      1.00000
      3       2.4477      1.00000
      4       2.5087      1.00000
      5       4.3391      1.00000
      6       4.7368      1.00000
      7       4.7585      1.00000
      8       4.9281      1.00000
      9       5.2310      1.00000
     10       5.8465      0.35814
     11       6.6596      0.00000
     12       7.4684      0.00000
     13      13.2134      0.00000
     14      14.1039      0.00000
     15      22.9901      0.00000
     16      23.8705      0.00000

 k-point   198 :      -0.3125    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9826      1.00000
      2       1.3026      1.00000
      3       2.6444      1.00000
      4       2.8052      1.00000
      5       3.4426      1.00000
      6       3.8342      1.00000
      7       4.5713      1.00000
      8       4.7096      1.00000
      9       5.2725      1.00000
     10       5.8591      0.47772
     11       6.1130     -0.02420
     12       7.7572      0.00000
     13      14.3434      0.00000
     14      16.2993      0.00000
     15      21.8467      0.00000
     16      23.6943      0.00000

 k-point   199 :      -0.1875    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9203      1.00000
      2       1.5829      1.00000
      3       2.6179      1.00000
      4       2.9494      1.00000
      5       3.2236      1.00000
      6       3.3772      1.00000
      7       4.3534      1.00000
      8       4.3816      1.00000
      9       5.1580      1.00000
     10       5.5474      1.03949
     11       5.6999      0.63964
     12       7.3520      0.00000
     13      17.0598      0.00000
     14      19.2617      0.00000
     15      20.9662      0.00000
     16      23.1941      0.00000

 k-point   200 :      -0.0625    0.0625    0.4375
  band No.  band energies     occupation 
      1       0.7132      1.00000
      2       1.5766      1.00000
      3       2.4549      1.00000
      4       3.0776      1.00000
      5       3.5839      1.00000
      6       3.8926      1.00000
      7       3.9299      1.00000
      8       4.2247      1.00000
      9       4.7127      1.00000
     10       5.1467      1.00000
     11       5.5742      1.03242
     12       6.9426      0.00000
     13      20.2349      0.00000
     14      20.6797      0.00000
     15      22.3655      0.00000
     16      23.2104      0.00000

 k-point   201 :       0.0625    0.1875    0.4375
  band No.  band energies     occupation 
      1       0.9209      1.00000
      2       1.5831      1.00000
      3       2.6178      1.00000
      4       2.9496      1.00000
      5       3.2255      1.00000
      6       3.3749      1.00000
      7       4.3525      1.00000
      8       4.3797      1.00000
      9       5.1570      1.00000
     10       5.5508      1.00151
     11       5.6989      0.63889
     12       7.3530      0.00000
     13      17.0593      0.00000
     14      19.2618      0.00000
     15      20.9667      0.00000
     16      23.1948      0.00000

 k-point   202 :       0.1875    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.2571      1.00000
      2       1.8512      1.00000
      3       2.4041      1.00000
      4       2.6625      1.00000
      5       3.1281      1.00000
      6       3.2218      1.00000
      7       4.4701      1.00000
      8       4.5657      1.00000
      9       5.1075      1.00000
     10       5.3799      1.00000
     11       6.4108     -0.13377
     12       8.1122      0.00000
     13      17.0806      0.00000
     14      17.9286      0.00000
     15      19.2704      0.00000
     16      20.1111      0.00000

 k-point   203 :       0.3125    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4313      1.00000
      2       1.6755      1.00000
      3       2.5345      1.00000
      4       2.5697      1.00000
      5       3.2904      1.00000
      6       3.3389      1.00000
      7       4.7195      1.00000
      8       4.7218      1.00000
      9       5.0285      1.00000
     10       5.3416      1.01876
     11       7.2818     -0.02215
     12       8.9636      0.00000
     13      14.5891      0.00000
     14      16.6311      0.00000
     15      18.4667      0.00000
     16      20.5275      0.00000

 k-point   204 :       0.4375    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.3829      1.00000
      2       1.4427      1.00000
      3       2.3986      1.00000
      4       2.4331      1.00000
      5       3.9302      1.00000
      6       4.0524      1.00000
      7       4.8213      1.00000
      8       4.8440      1.00000
      9       4.9384      1.00000
     10       5.1791      1.07917
     11       8.2475      0.00000
     12       9.1377      0.00000
     13      13.3225      0.00000
     14      14.3380      0.00000
     15      19.8577      0.00000
     16      21.3353      0.00000

 k-point   205 :      -0.4375    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.3826      1.00000
      2       1.4424      1.00000
      3       2.3955      1.00000
      4       2.4362      1.00000
      5       3.9292      1.00000
      6       4.0553      1.00000
      7       4.8221      1.00000
      8       4.8439      1.00000
      9       4.9385      1.00000
     10       5.1773      1.07959
     11       8.2485      0.00000
     12       9.1359      0.00000
     13      13.3233      0.00000
     14      14.3378      0.00000
     15      19.8577      0.00000
     16      21.3340      0.00000

 k-point   206 :      -0.3125    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4299      1.00000
      2       1.6748      1.00000
      3       2.5325      1.00000
      4       2.5720      1.00000
      5       3.2907      1.00000
      6       3.3413      1.00000
      7       4.7201      1.00000
      8       4.7237      1.00000
      9       5.0282      1.00000
     10       5.3389      1.07436
     11       7.2826     -0.01141
     12       8.9616      0.00000
     13      14.5900      0.00000
     14      16.6312      0.00000
     15      18.4664      0.00000
     16      20.5267      0.00000

 k-point   207 :      -0.1875    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.2556      1.00000
      2       1.8504      1.00000
      3       2.4047      1.00000
      4       2.6645      1.00000
      5       3.1263      1.00000
      6       3.2233      1.00000
      7       4.4712      1.00000
      8       4.5682      1.00000
      9       5.1069      1.00000
     10       5.3773      1.02174
     11       6.4117     -0.12142
     12       8.1106      0.00000
     13      17.0822      0.00000
     14      17.9272      0.00000
     15      19.2718      0.00000
     16      20.1090      0.00000

 k-point   208 :      -0.0625    0.1875    0.4375
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5829      1.00000
      3       2.6178      1.00000
      4       2.9514      1.00000
      5       3.2235      1.00000
      6       3.3752      1.00000
      7       4.3531      1.00000
      8       4.3810      1.00000
      9       5.1563      1.00000
     10       5.5500      1.01166
     11       5.6997      0.57117
     12       7.3522      0.00000
     13      17.0595      0.00000
     14      19.2620      0.00000
     15      20.9665      0.00000
     16      23.1940      0.00000

 k-point   209 :       0.0625    0.3125    0.4375
  band No.  band energies     occupation 
      1       0.9833      1.00000
      2       1.3027      1.00000
      3       2.6474      1.00000
      4       2.8024      1.00000
      5       3.4424      1.00000
      6       3.8331      1.00000
      7       4.5703      1.00000
      8       4.7093      1.00000
      9       5.2714      1.00000
     10       5.8622      0.58924
     11       6.1115     -0.05648
     12       7.7586      0.00000
     13      14.3429      0.00000
     14      16.2996      0.00000
     15      21.8471      0.00000
     16      23.6951      0.00000

 k-point   210 :       0.1875    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.4313      1.00000
      2       1.6755      1.00000
      3       2.5345      1.00000
      4       2.5697      1.00000
      5       3.2904      1.00000
      6       3.3389      1.00000
      7       4.7195      1.00000
      8       4.7219      1.00000
      9       5.0285      1.00000
     10       5.3416      1.01876
     11       7.2818     -0.02215
     12       8.9636      0.00000
     13      14.5891      0.00000
     14      16.6311      0.00000
     15      18.4667      0.00000
     16      20.5275      0.00000

 k-point   211 :       0.3125    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9874      1.00000
      2       2.0024      1.00000
      3       2.4646      1.00000
      4       2.5211      1.00000
      5       2.9036      1.00000
      6       3.0589      1.00000
      7       4.8356      1.00000
      8       4.8743      1.00000
      9       4.9707      1.00000
     10       5.0878      1.00000
     11       8.5606      0.00000
     12      10.3824      0.00000
     13      14.6990      0.00000
     14      16.1159      0.00000
     15      17.0461      0.00000
     16      17.9242      0.00000

 k-point   212 :       0.4375    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9868      1.00000
      2       2.0453      1.00000
      3       2.3641      1.00000
      4       2.4457      1.00000
      5       3.2039      1.00000
      6       3.2607      1.00000
      7       4.9148      1.00000
      8       4.9215      1.00000
      9       4.9521      1.00000
     10       5.0016      1.00000
     11       9.9459      0.00000
     12      11.1459      0.00000
     13      13.5951      0.00000
     14      14.9508      0.00000
     15      16.9703      0.00000
     16      18.5465      0.00000

 k-point   213 :      -0.4375    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9858      1.00000
      2       2.0452      1.00000
      3       2.3610      1.00000
      4       2.4493      1.00000
      5       3.2068      1.00000
      6       3.2587      1.00000
      7       4.9146      1.00000
      8       4.9222      1.00000
      9       4.9522      1.00000
     10       5.0008      1.00000
     11       9.9465      0.00000
     12      11.1441      0.00000
     13      13.5962      0.00000
     14      14.9509      0.00000
     15      16.9704      0.00000
     16      18.5450      0.00000

 k-point   214 :      -0.3125    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9838      1.00000
      2       2.0017      1.00000
      3       2.4671      1.00000
      4       2.5225      1.00000
      5       2.9043      1.00000
      6       3.0592      1.00000
      7       4.8360      1.00000
      8       4.8757      1.00000
      9       4.9703      1.00000
     10       5.0861      1.00000
     11       8.5610      0.00000
     12      10.3806      0.00000
     13      14.7007      0.00000
     14      16.1151      0.00000
     15      17.0476      0.00000
     16      17.9222      0.00000

 k-point   215 :      -0.1875    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.4300      1.00000
      2       1.6752      1.00000
      3       2.5357      1.00000
      4       2.5695      1.00000
      5       3.2915      1.00000
      6       3.3387      1.00000
      7       4.7200      1.00000
      8       4.7229      1.00000
      9       5.0279      1.00000
     10       5.3406      1.04211
     11       7.2822      0.00000
     12       8.9622      0.00000
     13      14.5897      0.00000
     14      16.6313      0.00000
     15      18.4665      0.00000
     16      20.5268      0.00000

 k-point   216 :      -0.0625    0.3125    0.4375
  band No.  band energies     occupation 
      1       0.9830      1.00000
      2       1.3026      1.00000
      3       2.6476      1.00000
      4       2.8022      1.00000
      5       3.4428      1.00000
      6       3.8332      1.00000
      7       4.5707      1.00000
      8       4.7096      1.00000
      9       5.2706      1.00000
     10       5.8623      0.52172
     11       6.1121     -0.01203
     12       7.7578      0.00000
     13      14.3430      0.00000
     14      16.2996      0.00000
     15      21.8470      0.00000
     16      23.6946      0.00000

 k-point   217 :       0.0625    0.4375    0.4375
  band No.  band energies     occupation 
      1       0.9553      1.00000
      2       1.0485      1.00000
      3       2.4509      1.00000
      4       2.5056      1.00000
      5       4.3392      1.00000
      6       4.7361      1.00000
      7       4.7593      1.00000
      8       4.9279      1.00000
      9       5.2278      1.00000
     10       5.8495      0.31092
     11       6.6581      0.00000
     12       7.4698      0.00000
     13      13.2128      0.00000
     14      14.1043      0.00000
     15      22.9900      0.00000
     16      23.8716      0.00000

 k-point   218 :       0.1875    0.4375    0.4375
  band No.  band energies     occupation 
      1       1.3830      1.00000
      2       1.4427      1.00000
      3       2.3986      1.00000
      4       2.4330      1.00000
      5       3.9302      1.00000
      6       4.0524      1.00000
      7       4.8214      1.00000
      8       4.8440      1.00000
      9       4.9384      1.00000
     10       5.1791      1.07917
     11       8.2475      0.00000
     12       9.1377      0.00000
     13      13.3226      0.00000
     14      14.3380      0.00000
     15      19.8577      0.00000
     16      21.3353      0.00000

 k-point   219 :       0.3125    0.4375    0.4375
  band No.  band energies     occupation 
      1       1.9868      1.00000
      2       2.0454      1.00000
      3       2.3641      1.00000
      4       2.4457      1.00000
      5       3.2039      1.00000
      6       3.2607      1.00000
      7       4.9148      1.00000
      8       4.9216      1.00000
      9       4.9520      1.00000
     10       5.0016      1.00000
     11       9.9459      0.00000
     12      11.1459      0.00000
     13      13.5951      0.00000
     14      14.9508      0.00000
     15      16.9703      0.00000
     16      18.5464      0.00000

 k-point   220 :       0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1       2.2477      1.00000
      2       2.4448      1.00000
      3       2.4486      1.00000
      4       2.7325      1.00000
      5       2.7356      1.00000
      6       2.7885      1.00000
      7       4.9615      1.00000
      8       4.9619      1.00000
      9       4.9692      1.00000
     10       4.9694      1.00000
     11      11.7065      0.00000
     12      13.4022      0.00000
     13      13.4045      0.00000
     14      15.4387      0.00000
     15      15.8788      0.00000
     16      15.8809      0.00000

 k-point   221 :      -0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1       2.2478      1.00000
      2       2.4447      1.00000
      3       2.4486      1.00000
      4       2.7325      1.00000
      5       2.7358      1.00000
      6       2.7885      1.00000
      7       4.9617      1.00000
      8       4.9619      1.00000
      9       4.9689      1.00000
     10       4.9695      1.00000
     11      11.7065      0.00000
     12      13.4022      0.00000
     13      13.4046      0.00000
     14      15.4386      0.00000
     15      15.8788      0.00000
     16      15.8809      0.00000

 k-point   222 :      -0.3125    0.4375    0.4375
  band No.  band energies     occupation 
      1       1.9867      1.00000
      2       2.0454      1.00000
      3       2.3640      1.00000
      4       2.4457      1.00000
      5       3.2039      1.00000
      6       3.2608      1.00000
      7       4.9149      1.00000
      8       4.9215      1.00000
      9       4.9521      1.00000
     10       5.0013      1.00000
     11       9.9459      0.00000
     12      11.1459      0.00000
     13      13.5951      0.00000
     14      14.9508      0.00000
     15      16.9703      0.00000
     16      18.5464      0.00000

 k-point   223 :      -0.1875    0.4375    0.4375
  band No.  band energies     occupation 
      1       1.3830      1.00000
      2       1.4427      1.00000
      3       2.3986      1.00000
      4       2.4331      1.00000
      5       3.9305      1.00000
      6       4.0524      1.00000
      7       4.8213      1.00000
      8       4.8441      1.00000
      9       4.9384      1.00000
     10       5.1787      1.07918
     11       8.2475      0.00000
     12       9.1378      0.00000
     13      13.3226      0.00000
     14      14.3380      0.00000
     15      19.8577      0.00000
     16      21.3353      0.00000

 k-point   224 :      -0.0625    0.4375    0.4375
  band No.  band energies     occupation 
      1       0.9553      1.00000
      2       1.0485      1.00000
      3       2.4509      1.00000
      4       2.5056      1.00000
      5       4.3394      1.00000
      6       4.7361      1.00000
      7       4.7593      1.00000
      8       4.9279      1.00000
      9       5.2278      1.00000
     10       5.8493      0.31124
     11       6.6582      0.00000
     12       7.4699      0.00000
     13      13.2129      0.00000
     14      14.1043      0.00000
     15      22.9900      0.00000
     16      23.8716      0.00000

 k-point   225 :       0.0625   -0.4375    0.4375
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0486      1.00000
      3       2.4477      1.00000
      4       2.5087      1.00000
      5       4.3391      1.00000
      6       4.7368      1.00000
      7       4.7586      1.00000
      8       4.9280      1.00000
      9       5.2310      1.00000
     10       5.8464      0.35829
     11       6.6596      0.00000
     12       7.4684      0.00000
     13      13.2135      0.00000
     14      14.1039      0.00000
     15      22.9901      0.00000
     16      23.8705      0.00000

 k-point   226 :       0.1875   -0.4375    0.4375
  band No.  band energies     occupation 
      1       1.3826      1.00000
      2       1.4425      1.00000
      3       2.3954      1.00000
      4       2.4362      1.00000
      5       3.9292      1.00000
      6       4.0552      1.00000
      7       4.8221      1.00000
      8       4.8440      1.00000
      9       4.9385      1.00000
     10       5.1772      1.07959
     11       8.2485      0.00000
     12       9.1359      0.00000
     13      13.3233      0.00000
     14      14.3378      0.00000
     15      19.8577      0.00000
     16      21.3340      0.00000

 k-point   227 :       0.3125   -0.4375    0.4375
  band No.  band energies     occupation 
      1       1.9859      1.00000
      2       2.0452      1.00000
      3       2.3609      1.00000
      4       2.4493      1.00000
      5       3.2068      1.00000
      6       3.2587      1.00000
      7       4.9147      1.00000
      8       4.9222      1.00000
      9       4.9522      1.00000
     10       5.0007      1.00000
     11       9.9465      0.00000
     12      11.1441      0.00000
     13      13.5962      0.00000
     14      14.9509      0.00000
     15      16.9703      0.00000
     16      18.5450      0.00000

 k-point   228 :       0.4375   -0.4375    0.4375
  band No.  band energies     occupation 
      1       2.2478      1.00000
      2       2.4446      1.00000
      3       2.4486      1.00000
      4       2.7325      1.00000
      5       2.7358      1.00000
      6       2.7885      1.00000
      7       4.9617      1.00000
      8       4.9619      1.00000
      9       4.9688      1.00000
     10       4.9695      1.00000
     11      11.7065      0.00000
     12      13.4022      0.00000
     13      13.4046      0.00000
     14      15.4385      0.00000
     15      15.8788      0.00000
     16      15.8809      0.00000

 k-point   229 :      -0.4375   -0.4375    0.4375
  band No.  band energies     occupation 
      1       2.2519      1.00000
      2       2.4449      1.00000
      3       2.4450      1.00000
      4       2.7320      1.00000
      5       2.7323      1.00000
      6       2.7915      1.00000
      7       4.9614      1.00000
      8       4.9617      1.00000
      9       4.9692      1.00000
     10       4.9694      1.00000
     11      11.7086      0.00000
     12      13.4022      0.00000
     13      13.4022      0.00000
     14      15.4408      0.00000
     15      15.8788      0.00000
     16      15.8788      0.00000

 k-point   230 :      -0.3125   -0.4375    0.4375
  band No.  band energies     occupation 
      1       1.9894      1.00000
      2       2.0452      1.00000
      3       2.3612      1.00000
      4       2.4464      1.00000
      5       3.2061      1.00000
      6       3.2582      1.00000
      7       4.9144      1.00000
      8       4.9217      1.00000
      9       4.9519      1.00000
     10       5.0013      1.00000
     11       9.9485      0.00000
     12      11.1440      0.00000
     13      13.5954      0.00000
     14      14.9501      0.00000
     15      16.9712      0.00000
     16      18.5450      0.00000

 k-point   231 :      -0.1875   -0.4375    0.4375
  band No.  band energies     occupation 
      1       1.3827      1.00000
      2       1.4435      1.00000
      3       2.3956      1.00000
      4       2.4358      1.00000
      5       3.9285      1.00000
      6       4.0542      1.00000
      7       4.8215      1.00000
      8       4.8434      1.00000
      9       4.9384      1.00000
     10       5.1781      1.02638
     11       8.2505      0.00000
     12       9.1358      0.00000
     13      13.3231      0.00000
     14      14.3374      0.00000
     15      19.8582      0.00000
     16      21.3340      0.00000

 k-point   232 :      -0.0625   -0.4375    0.4375
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0489      1.00000
      3       2.4477      1.00000
      4       2.5088      1.00000
      5       4.3388      1.00000
      6       4.7365      1.00000
      7       4.7592      1.00000
      8       4.9280      1.00000
      9       5.2287      1.00000
     10       5.8470      0.47082
     11       6.6614      0.00000
     12       7.4681      0.00000
     13      13.2134      0.00000
     14      14.1038      0.00000
     15      22.9906      0.00000
     16      23.8705      0.00000

 k-point   233 :       0.0625   -0.3125    0.4375
  band No.  band energies     occupation 
      1       0.9826      1.00000
      2       1.3027      1.00000
      3       2.6443      1.00000
      4       2.8052      1.00000
      5       3.4425      1.00000
      6       3.8342      1.00000
      7       4.5713      1.00000
      8       4.7098      1.00000
      9       5.2725      1.00000
     10       5.8590      0.47787
     11       6.1130     -0.02420
     12       7.7573      0.00000
     13      14.3435      0.00000
     14      16.2993      0.00000
     15      21.8467      0.00000
     16      23.6943      0.00000

 k-point   234 :       0.1875   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.4299      1.00000
      2       1.6749      1.00000
      3       2.5324      1.00000
      4       2.5721      1.00000
      5       3.2907      1.00000
      6       3.3413      1.00000
      7       4.7202      1.00000
      8       4.7236      1.00000
      9       5.0282      1.00000
     10       5.3388      1.07436
     11       7.2826     -0.01142
     12       8.9616      0.00000
     13      14.5901      0.00000
     14      16.6312      0.00000
     15      18.4664      0.00000
     16      20.5267      0.00000

 k-point   235 :       0.3125   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9838      1.00000
      2       2.0017      1.00000
      3       2.4671      1.00000
      4       2.5226      1.00000
      5       2.9043      1.00000
      6       3.0592      1.00000
      7       4.8361      1.00000
      8       4.8756      1.00000
      9       4.9703      1.00000
     10       5.0861      1.00000
     11       8.5610      0.00000
     12      10.3806      0.00000
     13      14.7007      0.00000
     14      16.1151      0.00000
     15      17.0475      0.00000
     16      17.9222      0.00000

 k-point   236 :       0.4375   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9867      1.00000
      2       2.0453      1.00000
      3       2.3640      1.00000
      4       2.4458      1.00000
      5       3.2039      1.00000
      6       3.2609      1.00000
      7       4.9149      1.00000
      8       4.9214      1.00000
      9       4.9522      1.00000
     10       5.0014      1.00000
     11       9.9460      0.00000
     12      11.1459      0.00000
     13      13.5951      0.00000
     14      14.9508      0.00000
     15      16.9703      0.00000
     16      18.5464      0.00000

 k-point   237 :      -0.4375   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9893      1.00000
      2       2.0451      1.00000
      3       2.3612      1.00000
      4       2.4464      1.00000
      5       3.2061      1.00000
      6       3.2582      1.00000
      7       4.9143      1.00000
      8       4.9217      1.00000
      9       4.9520      1.00000
     10       5.0013      1.00000
     11       9.9485      0.00000
     12      11.1440      0.00000
     13      13.5954      0.00000
     14      14.9501      0.00000
     15      16.9712      0.00000
     16      18.5450      0.00000

 k-point   238 :      -0.3125   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.9848      1.00000
      2       2.0059      1.00000
      3       2.4651      1.00000
      4       2.5205      1.00000
      5       2.9039      1.00000
      6       3.0579      1.00000
      7       4.8352      1.00000
      8       4.8748      1.00000
      9       4.9706      1.00000
     10       5.0866      1.00000
     11       8.5638     -0.00636
     12      10.3801      0.00000
     13      14.6991      0.00000
     14      16.1170      0.00000
     15      17.0459      0.00000
     16      17.9231      0.00000

 k-point   239 :      -0.1875   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.4304      1.00000
      2       1.6766      1.00000
      3       2.5326      1.00000
      4       2.5716      1.00000
      5       3.2902      1.00000
      6       3.3391      1.00000
      7       4.7189      1.00000
      8       4.7223      1.00000
      9       5.0288      1.00000
     10       5.3398      1.00119
     11       7.2854     -0.02020
     12       8.9612      0.00000
     13      14.5897      0.00000
     14      16.6307      0.00000
     15      18.4672      0.00000
     16      20.5269      0.00000

 k-point   240 :      -0.0625   -0.3125    0.4375
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3030      1.00000
      3       2.6444      1.00000
      4       2.8054      1.00000
      5       3.4423      1.00000
      6       3.8334      1.00000
      7       4.5707      1.00000
      8       4.7086      1.00000
      9       5.2720      1.00000
     10       5.8596      0.69572
     11       6.1154     -0.03892
     12       7.7569      0.00000
     13      14.3434      0.00000
     14      16.2992      0.00000
     15      21.8473      0.00000
     16      23.6944      0.00000

 k-point   241 :       0.0625   -0.1875    0.4375
  band No.  band energies     occupation 
      1       0.9203      1.00000
      2       1.5830      1.00000
      3       2.6179      1.00000
      4       2.9493      1.00000
      5       3.2236      1.00000
      6       3.3771      1.00000
      7       4.3536      1.00000
      8       4.3816      1.00000
      9       5.1580      1.00000
     10       5.5473      1.03953
     11       5.6999      0.63972
     12       7.3520      0.00000
     13      17.0598      0.00000
     14      19.2617      0.00000
     15      20.9662      0.00000
     16      23.1941      0.00000

 k-point   242 :       0.1875   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.2556      1.00000
      2       1.8504      1.00000
      3       2.4048      1.00000
      4       2.6644      1.00000
      5       3.1263      1.00000
      6       3.2232      1.00000
      7       4.4713      1.00000
      8       4.5681      1.00000
      9       5.1069      1.00000
     10       5.3773      1.02173
     11       6.4117     -0.12143
     12       8.1106      0.00000
     13      17.0822      0.00000
     14      17.9272      0.00000
     15      19.2717      0.00000
     16      20.1091      0.00000

 k-point   243 :       0.3125   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4299      1.00000
      2       1.6752      1.00000
      3       2.5357      1.00000
      4       2.5695      1.00000
      5       3.2916      1.00000
      6       3.3387      1.00000
      7       4.7201      1.00000
      8       4.7228      1.00000
      9       5.0279      1.00000
     10       5.3406      1.04211
     11       7.2822      0.00000
     12       8.9622      0.00000
     13      14.5897      0.00000
     14      16.6313      0.00000
     15      18.4665      0.00000
     16      20.5268      0.00000

 k-point   244 :       0.4375   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.3829      1.00000
      2       1.4427      1.00000
      3       2.3986      1.00000
      4       2.4331      1.00000
      5       3.9305      1.00000
      6       4.0524      1.00000
      7       4.8212      1.00000
      8       4.8441      1.00000
      9       4.9385      1.00000
     10       5.1787      1.07918
     11       8.2475      0.00000
     12       9.1378      0.00000
     13      13.3226      0.00000
     14      14.3380      0.00000
     15      19.8577      0.00000
     16      21.3353      0.00000

 k-point   245 :      -0.4375   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.3827      1.00000
      2       1.4434      1.00000
      3       2.3956      1.00000
      4       2.4359      1.00000
      5       3.9285      1.00000
      6       4.0542      1.00000
      7       4.8216      1.00000
      8       4.8433      1.00000
      9       4.9384      1.00000
     10       5.1781      1.02638
     11       8.2505      0.00000
     12       9.1358      0.00000
     13      13.3231      0.00000
     14      14.3373      0.00000
     15      19.8582      0.00000
     16      21.3340      0.00000

 k-point   246 :      -0.3125   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4304      1.00000
      2       1.6765      1.00000
      3       2.5326      1.00000
      4       2.5716      1.00000
      5       3.2902      1.00000
      6       3.3391      1.00000
      7       4.7189      1.00000
      8       4.7223      1.00000
      9       5.0288      1.00000
     10       5.3398      1.00119
     11       7.2854     -0.02020
     12       8.9613      0.00000
     13      14.5896      0.00000
     14      16.6307      0.00000
     15      18.4672      0.00000
     16      20.5269      0.00000

 k-point   247 :      -0.1875   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.2561      1.00000
      2       1.8524      1.00000
      3       2.4035      1.00000
      4       2.6631      1.00000
      5       3.1249      1.00000
      6       3.2247      1.00000
      7       4.4696      1.00000
      8       4.5662      1.00000
      9       5.1084      1.00000
     10       5.3774      1.00000
     11       6.4145     -0.12478
     12       8.1101      0.00000
     13      17.0807      0.00000
     14      17.9293      0.00000
     15      19.2702      0.00000
     16      20.1104      0.00000

 k-point   248 :      -0.0625   -0.1875    0.4375
  band No.  band energies     occupation 
      1       0.9204      1.00000
      2       1.5834      1.00000
      3       2.6175      1.00000
      4       2.9493      1.00000
      5       3.2229      1.00000
      6       3.3785      1.00000
      7       4.3518      1.00000
      8       4.3801      1.00000
      9       5.1595      1.00000
     10       5.5477      1.00973
     11       5.7009      0.53243
     12       7.3517      0.00000
     13      17.0597      0.00000
     14      19.2615      0.00000
     15      20.9669      0.00000
     16      23.1944      0.00000

 k-point   249 :       0.0625   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.7132      1.00000
      2       1.5766      1.00000
      3       2.4550      1.00000
      4       3.0775      1.00000
      5       3.5839      1.00000
      6       3.8926      1.00000
      7       3.9300      1.00000
      8       4.2247      1.00000
      9       4.7127      1.00000
     10       5.1466      1.00000
     11       5.5742      1.03241
     12       6.9426      0.00000
     13      20.2349      0.00000
     14      20.6797      0.00000
     15      22.3654      0.00000
     16      23.2104      0.00000

 k-point   250 :       0.1875   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9205      1.00000
      2       1.5829      1.00000
      3       2.6179      1.00000
      4       2.9514      1.00000
      5       3.2235      1.00000
      6       3.3753      1.00000
      7       4.3531      1.00000
      8       4.3808      1.00000
      9       5.1563      1.00000
     10       5.5500      1.01167
     11       5.6997      0.57119
     12       7.3523      0.00000
     13      17.0595      0.00000
     14      19.2619      0.00000
     15      20.9665      0.00000
     16      23.1940      0.00000

 k-point   251 :       0.3125   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9829      1.00000
      2       1.3026      1.00000
      3       2.6476      1.00000
      4       2.8023      1.00000
      5       3.4429      1.00000
      6       3.8332      1.00000
      7       4.5705      1.00000
      8       4.7096      1.00000
      9       5.2707      1.00000
     10       5.8622      0.52171
     11       6.1121     -0.01203
     12       7.7579      0.00000
     13      14.3430      0.00000
     14      16.2996      0.00000
     15      21.8470      0.00000
     16      23.6946      0.00000

 k-point   252 :       0.4375   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9552      1.00000
      2       1.0485      1.00000
      3       2.4509      1.00000
      4       2.5057      1.00000
      5       4.3394      1.00000
      6       4.7360      1.00000
      7       4.7593      1.00000
      8       4.9280      1.00000
      9       5.2278      1.00000
     10       5.8492      0.31124
     11       6.6582      0.00000
     12       7.4699      0.00000
     13      13.2128      0.00000
     14      14.1043      0.00000
     15      22.9900      0.00000
     16      23.8716      0.00000

 k-point   253 :      -0.4375   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9549      1.00000
      2       1.0488      1.00000
      3       2.4478      1.00000
      4       2.5088      1.00000
      5       4.3388      1.00000
      6       4.7365      1.00000
      7       4.7590      1.00000
      8       4.9280      1.00000
      9       5.2287      1.00000
     10       5.8470      0.47079
     11       6.6615      0.00000
     12       7.4681      0.00000
     13      13.2134      0.00000
     14      14.1038      0.00000
     15      22.9906      0.00000
     16      23.8705      0.00000

 k-point   254 :      -0.3125   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9827      1.00000
      2       1.3030      1.00000
      3       2.6444      1.00000
      4       2.8055      1.00000
      5       3.4423      1.00000
      6       3.8334      1.00000
      7       4.5707      1.00000
      8       4.7085      1.00000
      9       5.2720      1.00000
     10       5.8596      0.69566
     11       6.1154     -0.03891
     12       7.7569      0.00000
     13      14.3434      0.00000
     14      16.2992      0.00000
     15      21.8473      0.00000
     16      23.6944      0.00000

 k-point   255 :      -0.1875   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.9204      1.00000
      2       1.5833      1.00000
      3       2.6175      1.00000
      4       2.9493      1.00000
      5       3.2229      1.00000
      6       3.3785      1.00000
      7       4.3517      1.00000
      8       4.3801      1.00000
      9       5.1596      1.00000
     10       5.5477      1.00973
     11       5.7009      0.53240
     12       7.3517      0.00000
     13      17.0597      0.00000
     14      19.2615      0.00000
     15      20.9670      0.00000
     16      23.1944      0.00000

 k-point   256 :      -0.0625   -0.0625    0.4375
  band No.  band energies     occupation 
      1       0.7132      1.00000
      2       1.5768      1.00000
      3       2.4547      1.00000
      4       3.0771      1.00000
      5       3.5840      1.00000
      6       3.8966      1.00000
      7       3.9272      1.00000
      8       4.2219      1.00000
      9       4.7157      1.00000
     10       5.1457      1.00000
     11       5.5743      0.91484
     12       6.9423      0.00000
     13      20.2330      0.00000
     14      20.6823      0.00000
     15      22.3641      0.00000
     16      23.2123      0.00000

 spin component 2

 k-point     1 :       0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.2050      1.00000
      2       2.8872      1.00000
      3       2.8874      1.00000
      4       5.3568      1.00000
      5       5.3589      1.00000
      6       5.5856      0.93130
      7       7.4109      0.00000
      8       7.4113      0.00000
      9       7.6696      0.00000
     10       8.0374      0.00000
     11       8.0393      0.00000
     12      15.7516      0.00000
     13      15.7534      0.00000
     14      16.0953      0.00000
     15      23.1025      0.00000
     16      23.1028      0.00000

 k-point     2 :       0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.5743      1.00000
      2       3.0713      1.00000
      3       3.1929      1.00000
      4       5.2466      1.00000
      5       5.3164      1.00000
      6       5.8706      0.10606
      7       6.9807      0.00000
      8       7.0877      0.00000
      9       7.4541      0.00000
     10       7.5558      0.00000
     11       8.0049      0.00000
     12      13.2358      0.00000
     13      16.9471      0.00000
     14      17.1656      0.00000
     15      23.3257      0.00000
     16      24.6547      0.00000

 k-point     3 :       0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1130      1.00000
      3       3.7623      1.00000
      4       5.2417      1.00000
      5       5.2753      1.00000
      6       6.2687     -0.02796
      7       6.2733      0.00000
      8       6.5199      0.00000
      9       6.7210      0.00000
     10       7.6992      0.00000
     11       7.7847      0.00000
     12      10.6096      0.00000
     13      18.8366      0.00000
     14      19.0426      0.00000
     15      23.8565      0.00000
     16      24.9729      0.00000

 k-point     4 :       0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1       1.1002      1.00000
      2       2.4668      1.00000
      3       4.4945      1.00000
      4       5.1203      1.00000
      5       5.4096      1.00000
      6       5.7559      0.83165
      7       6.0202      0.00000
      8       6.1581      0.00000
      9       6.7615      0.00000
     10       7.2575      0.00000
     11       8.1039      0.00000
     12       8.8594      0.00000
     13      20.9518      0.00000
     14      21.3096      0.00000
     15      22.9750      0.00000
     16      23.8004      0.00000

 k-point     5 :      -0.4375    0.0625    0.0625
  band No.  band energies     occupation 
      1       1.1002      1.00000
      2       2.4668      1.00000
      3       4.4946      1.00000
      4       5.1200      1.00000
      5       5.4104      1.00000
      6       5.7552      0.83238
      7       6.0205      0.00000
      8       6.1580      0.00000
      9       6.7607      0.00000
     10       7.2583      0.00000
     11       8.1039      0.00000
     12       8.8594      0.00000
     13      20.9519      0.00000
     14      21.3095      0.00000
     15      22.9749      0.00000
     16      23.8005      0.00000

 k-point     6 :      -0.3125    0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1130      1.00000
      3       3.7623      1.00000
      4       5.2425      1.00000
      5       5.2752      1.00000
      6       6.2679     -0.02724
      7       6.2724      0.00000
      8       6.5200      0.00000
      9       6.7209      0.00000
     10       7.7000      0.00000
     11       7.7847      0.00000
     12      10.6097      0.00000
     13      18.8366      0.00000
     14      19.0425      0.00000
     15      23.8564      0.00000
     16      24.9729      0.00000

 k-point     7 :      -0.1875    0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.5743      1.00000
      2       3.0713      1.00000
      3       3.1929      1.00000
      4       5.2475      1.00000
      5       5.3164      1.00000
      6       5.8696      0.10764
      7       6.9799      0.00000
      8       7.0878      0.00000
      9       7.4540      0.00000
     10       7.5558      0.00000
     11       8.0058      0.00000
     12      13.2359      0.00000
     13      16.9472      0.00000
     14      17.1655      0.00000
     15      23.3257      0.00000
     16      24.6548      0.00000

 k-point     8 :      -0.0625    0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.2050      1.00000
      2       2.8872      1.00000
      3       2.8874      1.00000
      4       5.3566      1.00000
      5       5.3600      1.00000
      6       5.5846      0.93411
      7       7.4110      0.00000
      8       7.4113      0.00000
      9       7.6687      0.00000
     10       8.0372      0.00000
     11       8.0404      0.00000
     12      15.7518      0.00000
     13      15.7536      0.00000
     14      16.0949      0.00000
     15      23.1026      0.00000
     16      23.1028      0.00000

 k-point     9 :       0.0625    0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.5743      1.00000
      2       3.0713      1.00000
      3       3.1929      1.00000
      4       5.2463      1.00000
      5       5.3165      1.00000
      6       5.8707      0.10580
      7       6.9807      0.00000
      8       7.0877      0.00000
      9       7.4542      0.00000
     10       7.5557      0.00000
     11       8.0049      0.00000
     12      13.2358      0.00000
     13      16.9472      0.00000
     14      17.1655      0.00000
     15      23.3258      0.00000
     16      24.6546      0.00000

 k-point    10 :       0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.9769      1.00000
      2       3.3045      1.00000
      3       3.3979      1.00000
      4       4.9791      1.00000
      5       5.1778      1.00000
      6       6.2210      0.03501
      7       6.3215      0.00000
      8       7.1069      0.00000
      9       7.1638      0.00000
     10       7.4768      0.00000
     11       8.1238      0.00000
     12      13.4349      0.00000
     13      15.0626      0.00000
     14      17.9957      0.00000
     15      24.0910      0.00000
     16      25.0381      0.00000

 k-point    11 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1       0.1149      1.00000
      2       3.2767      1.00000
      3       3.8849      1.00000
      4       4.8144      1.00000
      5       5.0439      1.00000
      6       5.5803      0.87202
      7       6.6418      0.00000
      8       6.8420      0.00000
      9       6.9085      0.00000
     10       7.6747      0.00000
     11       8.0378      0.00000
     12      11.1228      0.00000
     13      16.1292      0.00000
     14      19.6017      0.00000
     15      22.4091      0.00000
     16      24.6242      0.00000

 k-point    12 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1       1.4564      1.00000
      2       2.6399      1.00000
      3       4.4235      1.00000
      4       4.7679      1.00000
      5       4.9614      1.00000
      6       5.1686      1.02479
      7       6.5144      0.00000
      8       6.6058      0.00000
      9       7.3633      0.00000
     10       7.7391      0.00000
     11       8.0704      0.00000
     12       9.1144      0.00000
     13      17.9332      0.00000
     14      20.0276      0.00000
     15      21.5850      0.00000
     16      23.7114      0.00000

 k-point    13 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1       1.4560      1.00000
      2       2.6405      1.00000
      3       4.4236      1.00000
      4       4.7668      1.00000
      5       4.9616      1.00000
      6       5.1692      1.00000
      7       6.5135      0.00000
      8       6.6071      0.00000
      9       7.3633      0.00000
     10       7.7388      0.00000
     11       8.0704      0.00000
     12       9.1145      0.00000
     13      17.9336      0.00000
     14      20.0272      0.00000
     15      21.5846      0.00000
     16      23.7118      0.00000

 k-point    14 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1       0.1147      1.00000
      2       3.2774      1.00000
      3       3.8848      1.00000
      4       4.8132      1.00000
      5       5.0444      1.00000
      6       5.5800      0.88974
      7       6.6421      0.00000
      8       6.8422      0.00000
      9       6.9091      0.00000
     10       7.6747      0.00000
     11       8.0371      0.00000
     12      11.1227      0.00000
     13      16.1297      0.00000
     14      19.6013      0.00000
     15      22.4088      0.00000
     16      24.6243      0.00000

 k-point    15 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3050      1.00000
      3       3.3978      1.00000
      4       4.9779      1.00000
      5       5.1785      1.00000
      6       6.2201      0.02804
      7       6.3215      0.00000
      8       7.1084      0.00000
      9       7.1646      0.00000
     10       7.4766      0.00000
     11       8.1229      0.00000
     12      13.4342      0.00000
     13      15.0636      0.00000
     14      17.9953      0.00000
     15      24.0912      0.00000
     16      25.0379      0.00000

 k-point    16 :      -0.0625    0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.5744      1.00000
      2       3.0713      1.00000
      3       3.1930      1.00000
      4       5.2439      1.00000
      5       5.3189      1.00000
      6       5.8705      0.05486
      7       6.9794      0.00000
      8       7.0880      0.00000
      9       7.4565      0.00000
     10       7.5557      0.00000
     11       8.0038      0.00000
     12      13.2356      0.00000
     13      16.9488      0.00000
     14      17.1641      0.00000
     15      23.3259      0.00000
     16      24.6544      0.00000

 k-point    17 :       0.0625    0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1130      1.00000
      3       3.7623      1.00000
      4       5.2414      1.00000
      5       5.2754      1.00000
      6       6.2687     -0.02792
      7       6.2735      0.00000
      8       6.5199      0.00000
      9       6.7211      0.00000
     10       7.6992      0.00000
     11       7.7847      0.00000
     12      10.6095      0.00000
     13      18.8366      0.00000
     14      19.0425      0.00000
     15      23.8565      0.00000
     16      24.9730      0.00000

 k-point    18 :       0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.1149      1.00000
      2       3.2766      1.00000
      3       3.8850      1.00000
      4       4.8144      1.00000
      5       5.0439      1.00000
      6       5.5802      0.87200
      7       6.6419      0.00000
      8       6.8420      0.00000
      9       6.9086      0.00000
     10       7.6746      0.00000
     11       8.0378      0.00000
     12      11.1228      0.00000
     13      16.1293      0.00000
     14      19.6017      0.00000
     15      22.4091      0.00000
     16      24.6242      0.00000

 k-point    19 :       0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9822      1.00000
      2       3.0712      1.00000
      3       4.4138      1.00000
      4       4.4876      1.00000
      5       4.9722      1.00291
      6       4.9902      1.03314
      7       6.6582      0.00000
      8       7.1751      0.00000
      9       7.4792      0.00000
     10       7.5881      0.00000
     11       8.2246      0.00000
     12      10.8642      0.00000
     13      14.6479      0.00000
     14      19.6171      0.00000
     15      20.8055      0.00000
     16      25.0080      0.00000

 k-point    20 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1       1.8828      1.00000
      2       2.5768      1.00000
      3       4.3874      1.00000
      4       4.5445      1.00000
      5       4.9951      1.07528
      6       5.1449      1.06550
      7       6.9116      0.00000
      8       7.1089      0.00000
      9       7.7592      0.00000
     10       8.0930      0.00000
     11       8.1437      0.00000
     12       9.2699      0.00000
     13      15.4793      0.00000
     14      17.2648      0.00000
     15      22.3667      0.00000
     16      24.0275      0.00000

 k-point    21 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1       1.8819      1.00000
      2       2.5779      1.00000
      3       4.3862      1.00000
      4       4.5454      1.00000
      5       4.9948      1.00283
      6       5.1455      1.01235
      7       6.9105      0.00000
      8       7.1103      0.00000
      9       7.7590      0.00000
     10       8.0925      0.00000
     11       8.1441      0.00000
     12       9.2696      0.00000
     13      15.4798      0.00000
     14      17.2644      0.00000
     15      22.3662      0.00000
     16      24.0277      0.00000

 k-point    22 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9816      1.00000
      2       3.0723      1.00000
      3       4.4136      1.00000
      4       4.4864      1.00000
      5       4.9727      1.00000
      6       4.9905      1.00000
      7       6.6577      0.00000
      8       7.1765      0.00000
      9       7.4794      0.00000
     10       7.5881      0.00000
     11       8.2239      0.00000
     12      10.8636      0.00000
     13      14.6485      0.00000
     14      19.6168      0.00000
     15      20.8050      0.00000
     16      25.0080      0.00000

 k-point    23 :      -0.1875    0.3125    0.0625
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2773      1.00000
      3       3.8852      1.00000
      4       4.8133      1.00000
      5       5.0439      1.00000
      6       5.5797      0.88591
      7       6.6427      0.00000
      8       6.8426      0.00000
      9       6.9095      0.00000
     10       7.6746      0.00000
     11       8.0369      0.00000
     12      11.1222      0.00000
     13      16.1298      0.00000
     14      19.6013      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point    24 :      -0.0625    0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1130      1.00000
      3       3.7626      1.00000
      4       5.2389      1.00000
      5       5.2773      1.00000
      6       6.2672     -0.10143
      7       6.2735      0.00000
      8       6.5207      0.00000
      9       6.7233      0.00000
     10       7.6984      0.00000
     11       7.7847      0.00000
     12      10.6093      0.00000
     13      18.8382      0.00000
     14      19.0410      0.00000
     15      23.8567      0.00000
     16      24.9732      0.00000

 k-point    25 :       0.0625    0.4375    0.0625
  band No.  band energies     occupation 
      1       1.1002      1.00000
      2       2.4667      1.00000
      3       4.4945      1.00000
      4       5.1204      1.00000
      5       5.4093      1.00000
      6       5.7559      0.83167
      7       6.0203      0.00000
      8       6.1582      0.00000
      9       6.7617      0.00000
     10       7.2575      0.00000
     11       8.1039      0.00000
     12       8.8593      0.00000
     13      20.9519      0.00000
     14      21.3095      0.00000
     15      22.9751      0.00000
     16      23.8003      0.00000

 k-point    26 :       0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1       1.4564      1.00000
      2       2.6399      1.00000
      3       4.4235      1.00000
      4       4.7680      1.00000
      5       4.9612      1.00000
      6       5.1686      1.02479
      7       6.5145      0.00000
      8       6.6059      0.00000
      9       7.3634      0.00000
     10       7.7391      0.00000
     11       8.0704      0.00000
     12       9.1143      0.00000
     13      17.9332      0.00000
     14      20.0276      0.00000
     15      21.5850      0.00000
     16      23.7114      0.00000

 k-point    27 :       0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1       1.8828      1.00000
      2       2.5768      1.00000
      3       4.3874      1.00000
      4       4.5445      1.00000
      5       4.9952      1.07528
      6       5.1449      1.06551
      7       6.9116      0.00000
      8       7.1090      0.00000
      9       7.7591      0.00000
     10       8.0930      0.00000
     11       8.1438      0.00000
     12       9.2698      0.00000
     13      15.4793      0.00000
     14      17.2648      0.00000
     15      22.3667      0.00000
     16      24.0274      0.00000

 k-point    28 :       0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1       2.1391      1.00000
      2       2.3439      1.00000
      3       4.1642      1.00000
      4       4.2217      1.00000
      5       5.8072      0.64101
      6       5.8909      0.52223
      7       7.2111      0.00000
      8       7.3101      0.00000
      9       7.6891      0.00000
     10       8.0280      0.00000
     11       8.5061      0.00000
     12       8.9056      0.00000
     13      14.5535      0.00000
     14      15.3104      0.00000
     15      23.3112      0.00000
     16      24.0023      0.00000

 k-point    29 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1       2.1379      1.00000
      2       2.3451      1.00000
      3       4.1630      1.00000
      4       4.2229      1.00000
      5       5.8067      0.83724
      6       5.8916      0.71096
      7       7.2099      0.00000
      8       7.3115      0.00000
      9       7.6891      0.00000
     10       8.0281      0.00000
     11       8.5065      0.00000
     12       8.9044      0.00000
     13      14.5541      0.00000
     14      15.3100      0.00000
     15      23.3109      0.00000
     16      24.0022      0.00000

 k-point    30 :      -0.3125    0.4375    0.0625
  band No.  band energies     occupation 
      1       1.8818      1.00000
      2       2.5778      1.00000
      3       4.3863      1.00000
      4       4.5457      1.00000
      5       4.9949      1.00006
      6       5.1451      1.00116
      7       6.9107      0.00000
      8       7.1107      0.00000
      9       7.7601      0.00000
     10       8.0928      0.00000
     11       8.1431      0.00000
     12       9.2686      0.00000
     13      15.4799      0.00000
     14      17.2644      0.00000
     15      22.3663      0.00000
     16      24.0273      0.00000

 k-point    31 :      -0.1875    0.4375    0.0625
  band No.  band energies     occupation 
      1       1.4558      1.00000
      2       2.6404      1.00000
      3       4.4244      1.00000
      4       4.7684      1.00000
      5       4.9592      1.00000
      6       5.1687      1.00000
      7       6.5143      0.00000
      8       6.6079      0.00000
      9       7.3641      0.00000
     10       7.7384      0.00000
     11       8.0699      0.00000
     12       9.1136      0.00000
     13      17.9337      0.00000
     14      20.0273      0.00000
     15      21.5845      0.00000
     16      23.7112      0.00000

 k-point    32 :      -0.0625    0.4375    0.0625
  band No.  band energies     occupation 
      1       1.1001      1.00000
      2       2.4668      1.00000
      3       4.4952      1.00000
      4       5.1208      1.00000
      5       5.4067      1.00000
      6       5.7544      0.89308
      7       6.0225      0.00000
      8       6.1600      0.00000
      9       6.7620      0.00000
     10       7.2566      0.00000
     11       8.1038      0.00000
     12       8.8591      0.00000
     13      20.9531      0.00000
     14      21.3082      0.00000
     15      22.9754      0.00000
     16      23.7993      0.00000

 k-point    33 :       0.0625   -0.4375    0.0625
  band No.  band energies     occupation 
      1       1.1002      1.00000
      2       2.4668      1.00000
      3       4.4947      1.00000
      4       5.1201      1.00000
      5       5.4103      1.00000
      6       5.7549      0.83261
      7       6.0206      0.00000
      8       6.1580      0.00000
      9       6.7607      0.00000
     10       7.2585      0.00000
     11       8.1039      0.00000
     12       8.8594      0.00000
     13      20.9520      0.00000
     14      21.3094      0.00000
     15      22.9749      0.00000
     16      23.8005      0.00000

 k-point    34 :       0.1875   -0.4375    0.0625
  band No.  band energies     occupation 
      1       1.4560      1.00000
      2       2.6405      1.00000
      3       4.4237      1.00000
      4       4.7668      1.00000
      5       4.9617      1.00000
      6       5.1690      1.00000
      7       6.5135      0.00000
      8       6.6072      0.00000
      9       7.3632      0.00000
     10       7.7388      0.00000
     11       8.0704      0.00000
     12       9.1145      0.00000
     13      17.9336      0.00000
     14      20.0272      0.00000
     15      21.5845      0.00000
     16      23.7117      0.00000

 k-point    35 :       0.3125   -0.4375    0.0625
  band No.  band energies     occupation 
      1       1.8819      1.00000
      2       2.5779      1.00000
      3       4.3862      1.00000
      4       4.5454      1.00000
      5       4.9948      1.00283
      6       5.1456      1.01234
      7       6.9105      0.00000
      8       7.1104      0.00000
      9       7.7590      0.00000
     10       8.0925      0.00000
     11       8.1440      0.00000
     12       9.2697      0.00000
     13      15.4798      0.00000
     14      17.2644      0.00000
     15      22.3662      0.00000
     16      24.0277      0.00000

 k-point    36 :       0.4375   -0.4375    0.0625
  band No.  band energies     occupation 
      1       2.1379      1.00000
      2       2.3451      1.00000
      3       4.1630      1.00000
      4       4.2229      1.00000
      5       5.8067      0.83723
      6       5.8917      0.71092
      7       7.2099      0.00000
      8       7.3115      0.00000
      9       7.6891      0.00000
     10       8.0281      0.00000
     11       8.5065      0.00000
     12       8.9044      0.00000
     13      14.5541      0.00000
     14      15.3100      0.00000
     15      23.3109      0.00000
     16      24.0022      0.00000

 k-point    37 :      -0.4375   -0.4375    0.0625
  band No.  band energies     occupation 
      1       2.1390      1.00000
      2       2.3438      1.00000
      3       4.1642      1.00000
      4       4.2216      1.00000
      5       5.8069      0.83559
      6       5.8918      0.70523
      7       7.2113      0.00000
      8       7.3103      0.00000
      9       7.6890      0.00000
     10       8.0291      0.00000
     11       8.5049      0.00000
     12       8.9047      0.00000
     13      14.5536      0.00000
     14      15.3105      0.00000
     15      23.3108      0.00000
     16      24.0023      0.00000

 k-point    38 :      -0.3125   -0.4375    0.0625
  band No.  band energies     occupation 
      1       1.8827      1.00000
      2       2.5766      1.00000
      3       4.3875      1.00000
      4       4.5443      1.00000
      5       4.9947      1.00324
      6       5.1460      1.01321
      7       6.9122      0.00000
      8       7.1094      0.00000
      9       7.7592      0.00000
     10       8.0940      0.00000
     11       8.1420      0.00000
     12       9.2691      0.00000
     13      15.4794      0.00000
     14      17.2649      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point    39 :      -0.1875   -0.4375    0.0625
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6396      1.00000
      3       4.4237      1.00000
      4       4.7690      1.00000
      5       4.9614      1.00000
      6       5.1670      1.04047
      7       6.5158      0.00000
      8       6.6066      0.00000
      9       7.3618      0.00000
     10       7.7400      0.00000
     11       8.0699      0.00000
     12       9.1139      0.00000
     13      17.9333      0.00000
     14      20.0277      0.00000
     15      21.5845      0.00000
     16      23.7113      0.00000

 k-point    40 :      -0.0625   -0.4375    0.0625
  band No.  band energies     occupation 
      1       1.1003      1.00000
      2       2.4666      1.00000
      3       4.4945      1.00000
      4       5.1221      1.00000
      5       5.4091      1.00000
      6       5.7523      0.69876
      7       6.0211      0.00000
      8       6.1608      0.00000
      9       6.7594      0.00000
     10       7.2590      0.00000
     11       8.1038      0.00000
     12       8.8592      0.00000
     13      20.9528      0.00000
     14      21.3082      0.00000
     15      22.9758      0.00000
     16      23.7994      0.00000

 k-point    41 :       0.0625   -0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1130      1.00000
      3       3.7624      1.00000
      4       5.2425      1.00000
      5       5.2753      1.00000
      6       6.2676     -0.02699
      7       6.2723      0.00000
      8       6.5201      0.00000
      9       6.7210      0.00000
     10       7.7002      0.00000
     11       7.7847      0.00000
     12      10.6096      0.00000
     13      18.8367      0.00000
     14      19.0423      0.00000
     15      23.8565      0.00000
     16      24.9729      0.00000

 k-point    42 :       0.1875   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.1147      1.00000
      2       3.2773      1.00000
      3       3.8849      1.00000
      4       4.8132      1.00000
      5       5.0445      1.00000
      6       5.5799      0.88987
      7       6.6422      0.00000
      8       6.8422      0.00000
      9       6.9091      0.00000
     10       7.6747      0.00000
     11       8.0372      0.00000
     12      11.1227      0.00000
     13      16.1297      0.00000
     14      19.6013      0.00000
     15      22.4088      0.00000
     16      24.6243      0.00000

 k-point    43 :       0.3125   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9816      1.00000
      2       3.0723      1.00000
      3       4.4136      1.00000
      4       4.4864      1.00000
      5       4.9726      1.00000
      6       4.9906      1.00000
      7       6.6578      0.00000
      8       7.1765      0.00000
      9       7.4793      0.00000
     10       7.5881      0.00000
     11       8.2239      0.00000
     12      10.8636      0.00000
     13      14.6485      0.00000
     14      19.6168      0.00000
     15      20.8049      0.00000
     16      25.0081      0.00000

 k-point    44 :       0.4375   -0.3125    0.0625
  band No.  band energies     occupation 
      1       1.8818      1.00000
      2       2.5778      1.00000
      3       4.3863      1.00000
      4       4.5457      1.00000
      5       4.9949      1.00006
      6       5.1451      1.00116
      7       6.9108      0.00000
      8       7.1107      0.00000
      9       7.7601      0.00000
     10       8.0927      0.00000
     11       8.1430      0.00000
     12       9.2687      0.00000
     13      15.4799      0.00000
     14      17.2644      0.00000
     15      22.3663      0.00000
     16      24.0273      0.00000

 k-point    45 :      -0.4375   -0.3125    0.0625
  band No.  band energies     occupation 
      1       1.8827      1.00000
      2       2.5766      1.00000
      3       4.3876      1.00000
      4       4.5443      1.00000
      5       4.9947      1.00324
      6       5.1459      1.01321
      7       6.9123      0.00000
      8       7.1094      0.00000
      9       7.7591      0.00000
     10       8.0940      0.00000
     11       8.1421      0.00000
     12       9.2691      0.00000
     13      15.4794      0.00000
     14      17.2649      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point    46 :      -0.3125   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.9821      1.00000
      2       3.0710      1.00000
      3       4.4136      1.00000
      4       4.4877      1.00000
      5       4.9709      1.00005
      6       4.9918      1.05040
      7       6.6596      0.00000
      8       7.1754      0.00000
      9       7.4773      0.00000
     10       7.5880      0.00000
     11       8.2252      0.00000
     12      10.8638      0.00000
     13      14.6480      0.00000
     14      19.6172      0.00000
     15      20.8051      0.00000
     16      25.0084      0.00000

 k-point    47 :      -0.1875   -0.3125    0.0625
  band No.  band energies     occupation 
      1       0.1149      1.00000
      2       3.2766      1.00000
      3       3.8849      1.00000
      4       4.8145      1.00000
      5       5.0457      1.00000
      6       5.5775      0.84517
      7       6.6445      0.00000
      8       6.8409      0.00000
      9       6.9077      0.00000
     10       7.6745      0.00000
     11       8.0383      0.00000
     12      11.1226      0.00000
     13      16.1294      0.00000
     14      19.6013      0.00000
     15      22.4092      0.00000
     16      24.6246      0.00000

 k-point    48 :      -0.0625   -0.3125    0.0625
  band No.  band energies     occupation 
      1      -0.3998      1.00000
      2       3.1129      1.00000
      3       3.7622      1.00000
      4       5.2415      1.00000
      5       5.2781      1.00000
      6       6.2649      0.09132
      7       6.2708      0.00000
      8       6.5198      0.00000
      9       6.7238      0.00000
     10       7.7006      0.00000
     11       7.7846      0.00000
     12      10.6095      0.00000
     13      18.8378      0.00000
     14      19.0410      0.00000
     15      23.8569      0.00000
     16      24.9734      0.00000

 k-point    49 :       0.0625   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.5744      1.00000
      2       3.0713      1.00000
      3       3.1929      1.00000
      4       5.2475      1.00000
      5       5.3165      1.00000
      6       5.8695      0.10783
      7       6.9796      0.00000
      8       7.0878      0.00000
      9       7.4541      0.00000
     10       7.5558      0.00000
     11       8.0060      0.00000
     12      13.2359      0.00000
     13      16.9473      0.00000
     14      17.1654      0.00000
     15      23.3258      0.00000
     16      24.6547      0.00000

 k-point    50 :       0.1875   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3050      1.00000
      3       3.3978      1.00000
      4       4.9778      1.00000
      5       5.1786      1.00000
      6       6.2199      0.02819
      7       6.3213      0.00000
      8       7.1087      0.00000
      9       7.1647      0.00000
     10       7.4767      0.00000
     11       8.1229      0.00000
     12      13.4342      0.00000
     13      15.0636      0.00000
     14      17.9953      0.00000
     15      24.0912      0.00000
     16      25.0379      0.00000

 k-point    51 :       0.3125   -0.1875    0.0625
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2773      1.00000
      3       3.8852      1.00000
      4       4.8133      1.00000
      5       5.0439      1.00000
      6       5.5796      0.88600
      7       6.6429      0.00000
      8       6.8426      0.00000
      9       6.9093      0.00000
     10       7.6746      0.00000
     11       8.0369      0.00000
     12      11.1222      0.00000
     13      16.1298      0.00000
     14      19.6013      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point    52 :       0.4375   -0.1875    0.0625
  band No.  band energies     occupation 
      1       1.4558      1.00000
      2       2.6404      1.00000
      3       4.4245      1.00000
      4       4.7684      1.00000
      5       4.9593      1.00000
      6       5.1686      1.00000
      7       6.5144      0.00000
      8       6.6080      0.00000
      9       7.3639      0.00000
     10       7.7383      0.00000
     11       8.0700      0.00000
     12       9.1136      0.00000
     13      17.9337      0.00000
     14      20.0273      0.00000
     15      21.5845      0.00000
     16      23.7112      0.00000

 k-point    53 :      -0.4375   -0.1875    0.0625
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6396      1.00000
      3       4.4237      1.00000
      4       4.7692      1.00000
      5       4.9612      1.00000
      6       5.1671      1.04047
      7       6.5159      0.00000
      8       6.6066      0.00000
      9       7.3618      0.00000
     10       7.7399      0.00000
     11       8.0700      0.00000
     12       9.1139      0.00000
     13      17.9333      0.00000
     14      20.0277      0.00000
     15      21.5845      0.00000
     16      23.7113      0.00000

 k-point    54 :      -0.3125   -0.1875    0.0625
  band No.  band energies     occupation 
      1       0.1149      1.00000
      2       3.2766      1.00000
      3       3.8848      1.00000
      4       4.8146      1.00000
      5       5.0456      1.00000
      6       5.5776      0.84519
      7       6.6445      0.00000
      8       6.8409      0.00000
      9       6.9077      0.00000
     10       7.6745      0.00000
     11       8.0382      0.00000
     12      11.1226      0.00000
     13      16.1294      0.00000
     14      19.6013      0.00000
     15      22.4092      0.00000
     16      24.6246      0.00000

 k-point    55 :      -0.1875   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -0.9769      1.00000
      2       3.3045      1.00000
      3       3.3978      1.00000
      4       4.9792      1.00000
      5       5.1801      1.00000
      6       6.2174      0.11475
      7       6.3191      0.00000
      8       7.1105      0.00000
      9       7.1639      0.00000
     10       7.4765      0.00000
     11       8.1241      0.00000
     12      13.4347      0.00000
     13      15.0629      0.00000
     14      17.9952      0.00000
     15      24.0914      0.00000
     16      25.0383      0.00000

 k-point    56 :      -0.0625   -0.1875    0.0625
  band No.  band energies     occupation 
      1      -1.5743      1.00000
      2       3.0712      1.00000
      3       3.1929      1.00000
      4       5.2469      1.00000
      5       5.3193      1.00000
      6       5.8675      0.33619
      7       6.9769      0.00000
      8       7.0876      0.00000
      9       7.4568      0.00000
     10       7.5556      0.00000
     11       8.0062      0.00000
     12      13.2359      0.00000
     13      16.9485      0.00000
     14      17.1639      0.00000
     15      23.3260      0.00000
     16      24.6548      0.00000

 k-point    57 :       0.0625   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.2050      1.00000
      2       2.8872      1.00000
      3       2.8874      1.00000
      4       5.3566      1.00000
      5       5.3603      1.00000
      6       5.5844      0.93493
      7       7.4110      0.00000
      8       7.4113      0.00000
      9       7.6684      0.00000
     10       8.0372      0.00000
     11       8.0408      0.00000
     12      15.7518      0.00000
     13      15.7537      0.00000
     14      16.0948      0.00000
     15      23.1026      0.00000
     16      23.1028      0.00000

 k-point    58 :       0.1875   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.5744      1.00000
      2       3.0713      1.00000
      3       3.1930      1.00000
      4       5.2439      1.00000
      5       5.3192      1.00000
      6       5.8702      0.05518
      7       6.9792      0.00000
      8       7.0880      0.00000
      9       7.4568      0.00000
     10       7.5558      0.00000
     11       8.0037      0.00000
     12      13.2356      0.00000
     13      16.9488      0.00000
     14      17.1640      0.00000
     15      23.3259      0.00000
     16      24.6545      0.00000

 k-point    59 :       0.3125   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1130      1.00000
      3       3.7625      1.00000
      4       5.2389      1.00000
      5       5.2776      1.00000
      6       6.2669     -0.10122
      7       6.2732      0.00000
      8       6.5207      0.00000
      9       6.7236      0.00000
     10       7.6983      0.00000
     11       7.7847      0.00000
     12      10.6094      0.00000
     13      18.8382      0.00000
     14      19.0409      0.00000
     15      23.8567      0.00000
     16      24.9732      0.00000

 k-point    60 :       0.4375   -0.0625    0.0625
  band No.  band energies     occupation 
      1       1.1001      1.00000
      2       2.4668      1.00000
      3       4.4952      1.00000
      4       5.1209      1.00000
      5       5.4067      1.00000
      6       5.7542      0.89326
      7       6.0226      0.00000
      8       6.1603      0.00000
      9       6.7617      0.00000
     10       7.2565      0.00000
     11       8.1038      0.00000
     12       8.8592      0.00000
     13      20.9532      0.00000
     14      21.3081      0.00000
     15      22.9755      0.00000
     16      23.7992      0.00000

 k-point    61 :      -0.4375   -0.0625    0.0625
  band No.  band energies     occupation 
      1       1.1003      1.00000
      2       2.4666      1.00000
      3       4.4945      1.00000
      4       5.1222      1.00000
      5       5.4088      1.00000
      6       5.7523      0.69873
      7       6.0212      0.00000
      8       6.1611      0.00000
      9       6.7593      0.00000
     10       7.2586      0.00000
     11       8.1038      0.00000
     12       8.8592      0.00000
     13      20.9528      0.00000
     14      21.3081      0.00000
     15      22.9758      0.00000
     16      23.7994      0.00000

 k-point    62 :      -0.3125   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -0.3998      1.00000
      2       3.1129      1.00000
      3       3.7622      1.00000
      4       5.2413      1.00000
      5       5.2784      1.00000
      6       6.2649      0.09131
      7       6.2707      0.00000
      8       6.5198      0.00000
      9       6.7241      0.00000
     10       7.7003      0.00000
     11       7.7846      0.00000
     12      10.6095      0.00000
     13      18.8379      0.00000
     14      19.0409      0.00000
     15      23.8569      0.00000
     16      24.9734      0.00000

 k-point    63 :      -0.1875   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -1.5743      1.00000
      2       3.0713      1.00000
      3       3.1928      1.00000
      4       5.2466      1.00000
      5       5.3196      1.00000
      6       5.8675      0.33628
      7       6.9769      0.00000
      8       7.0876      0.00000
      9       7.4571      0.00000
     10       7.5557      0.00000
     11       8.0059      0.00000
     12      13.2359      0.00000
     13      16.9486      0.00000
     14      17.1638      0.00000
     15      23.3260      0.00000
     16      24.6548      0.00000

 k-point    64 :      -0.0625   -0.0625    0.0625
  band No.  band energies     occupation 
      1      -2.2050      1.00000
      2       2.8872      1.00000
      3       2.8874      1.00000
      4       5.3590      1.00000
      5       5.3607      1.00000
      6       5.5817      0.95548
      7       7.4109      0.00000
      8       7.4112      0.00000
      9       7.6659      0.00000
     10       8.0393      0.00000
     11       8.0412      0.00000
     12      15.7533      0.00000
     13      15.7536      0.00000
     14      16.0933      0.00000
     15      23.1027      0.00000
     16      23.1029      0.00000

 k-point    65 :       0.0625    0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.5744      1.00000
      2       3.0711      1.00000
      3       3.1931      1.00000
      4       5.2439      1.00000
      5       5.3179      1.00000
      6       5.8716      0.05379
      7       6.9803      0.00000
      8       7.0882      0.00000
      9       7.4554      0.00000
     10       7.5555      0.00000
     11       8.0041      0.00000
     12      13.2354      0.00000
     13      16.9485      0.00000
     14      17.1645      0.00000
     15      23.3260      0.00000
     16      24.6542      0.00000

 k-point    66 :       0.1875    0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3050      1.00000
      3       3.3976      1.00000
      4       4.9776      1.00000
      5       5.1778      1.00000
      6       6.2211      0.02725
      7       6.3227      0.00000
      8       7.1079      0.00000
      9       7.1646      0.00000
     10       7.4764      0.00000
     11       8.1226      0.00000
     12      13.4339      0.00000
     13      15.0635      0.00000
     14      17.9956      0.00000
     15      24.0912      0.00000
     16      25.0379      0.00000

 k-point    67 :       0.3125    0.0625    0.1875
  band No.  band energies     occupation 
      1       0.1147      1.00000
      2       3.2773      1.00000
      3       3.8846      1.00000
      4       4.8130      1.00000
      5       5.0438      1.00000
      6       5.5811      0.88889
      7       6.6418      0.00000
      8       6.8431      0.00000
      9       6.9091      0.00000
     10       7.6747      0.00000
     11       8.0367      0.00000
     12      11.1225      0.00000
     13      16.1295      0.00000
     14      19.6015      0.00000
     15      22.4087      0.00000
     16      24.6243      0.00000

 k-point    68 :       0.4375    0.0625    0.1875
  band No.  band energies     occupation 
      1       1.4560      1.00000
      2       2.6404      1.00000
      3       4.4233      1.00000
      4       4.7670      1.00000
      5       4.9609      1.00000
      6       5.1703      1.00000
      7       6.5134      0.00000
      8       6.6066      0.00000
      9       7.3644      0.00000
     10       7.7383      0.00000
     11       8.0705      0.00000
     12       9.1142      0.00000
     13      17.9334      0.00000
     14      20.0271      0.00000
     15      21.5847      0.00000
     16      23.7118      0.00000

 k-point    69 :      -0.4375    0.0625    0.1875
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6399      1.00000
      3       4.4236      1.00000
      4       4.7680      1.00000
      5       4.9620      1.00000
      6       5.1682      1.02474
      7       6.5139      0.00000
      8       6.6059      0.00000
      9       7.3627      0.00000
     10       7.7401      0.00000
     11       8.0703      0.00000
     12       9.1145      0.00000
     13      17.9330      0.00000
     14      20.0274      0.00000
     15      21.5851      0.00000
     16      23.7115      0.00000

 k-point    70 :      -0.3125    0.0625    0.1875
  band No.  band energies     occupation 
      1       0.1148      1.00000
      2       3.2768      1.00000
      3       3.8849      1.00000
      4       4.8154      1.00000
      5       5.0435      1.00000
      6       5.5797      0.87284
      7       6.6414      0.00000
      8       6.8416      0.00000
      9       6.9082      0.00000
     10       7.6746      0.00000
     11       8.0388      0.00000
     12      11.1229      0.00000
     13      16.1290      0.00000
     14      19.6018      0.00000
     15      22.4090      0.00000
     16      24.6241      0.00000

 k-point    71 :      -0.1875    0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.9769      1.00000
      2       3.3047      1.00000
      3       3.3978      1.00000
      4       4.9801      1.00000
      5       5.1773      1.00000
      6       6.2202      0.03546
      7       6.3209      0.00000
      8       7.1067      0.00000
      9       7.1641      0.00000
     10       7.4766      0.00000
     11       8.1249      0.00000
     12      13.4350      0.00000
     13      15.0624      0.00000
     14      17.9958      0.00000
     15      24.0910      0.00000
     16      25.0380      0.00000

 k-point    72 :      -0.0625    0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.5744      1.00000
      2       3.0712      1.00000
      3       3.1930      1.00000
      4       5.2464      1.00000
      5       5.3168      1.00000
      6       5.8703      0.10651
      7       6.9797      0.00000
      8       7.0880      0.00000
      9       7.4544      0.00000
     10       7.5555      0.00000
     11       8.0056      0.00000
     12      13.2357      0.00000
     13      16.9476      0.00000
     14      17.1652      0.00000
     15      23.3259      0.00000
     16      24.6545      0.00000

 k-point    73 :       0.0625    0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3050      1.00000
      3       3.3976      1.00000
      4       4.9775      1.00000
      5       5.1778      1.00000
      6       6.2212      0.02717
      7       6.3229      0.00000
      8       7.1080      0.00000
      9       7.1646      0.00000
     10       7.4764      0.00000
     11       8.1225      0.00000
     12      13.4338      0.00000
     13      15.0635      0.00000
     14      17.9956      0.00000
     15      24.0913      0.00000
     16      25.0379      0.00000

 k-point    74 :       0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.4002      1.00000
      2       3.5750      1.00000
      3       3.5757      1.00000
      4       4.8455      1.00000
      5       4.8472      1.00000
      6       5.3859      0.93152
      7       6.8370      0.00000
      8       7.3451      0.00000
      9       7.3460      0.00000
     10       7.6031      0.00000
     11       7.6043      0.00000
     12      14.4847      0.00000
     13      14.4863      0.00000
     14      16.2255      0.00000
     15      24.8981      0.00000
     16      24.8985      0.00000

 k-point    75 :       0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1       0.6363      1.00000
      2       3.6199      1.00000
      3       3.8699      1.00000
      4       4.6456      1.00000
      5       4.6583      1.00000
      6       4.9091      1.03278
      7       7.0616      0.00000
      8       7.1099      0.00000
      9       7.4410      0.00000
     10       7.6336      0.00000
     11       7.7598      0.00000
     12      11.8866      0.00000
     13      16.0914      0.00000
     14      17.0700      0.00000
     15      22.3068      0.00000
     16      23.2415      0.00000

 k-point    76 :       0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1       1.8650      1.00000
      2       2.9350      1.00000
      3       4.1777      1.00000
      4       4.4287      1.00000
      5       4.7408      1.00000
      6       4.9063      1.00000
      7       6.8010      0.00000
      8       6.8675      0.00000
      9       7.6593      0.00000
     10       7.7117      0.00000
     11       8.4018      0.00000
     12       9.7486      0.00000
     13      17.9577      0.00000
     14      18.6465      0.00000
     15      20.0134      0.00000
     16      20.7560      0.00000

 k-point    77 :      -0.4375    0.1875    0.1875
  band No.  band energies     occupation 
      1       1.8649      1.00000
      2       2.9350      1.00000
      3       4.1779      1.00000
      4       4.4285      1.00000
      5       4.7416      1.00000
      6       4.9056      1.00000
      7       6.8007      0.00000
      8       6.8678      0.00000
      9       7.6590      0.00000
     10       7.7122      0.00000
     11       8.4011      0.00000
     12       9.7491      0.00000
     13      17.9578      0.00000
     14      18.6463      0.00000
     15      20.0133      0.00000
     16      20.7562      0.00000

 k-point    78 :      -0.3125    0.1875    0.1875
  band No.  band energies     occupation 
      1       0.6363      1.00000
      2       3.6200      1.00000
      3       3.8701      1.00000
      4       4.6454      1.00000
      5       4.6591      1.00000
      6       4.9083      1.03268
      7       7.0614      0.00000
      8       7.1101      0.00000
      9       7.4402      0.00000
     10       7.6334      0.00000
     11       7.7605      0.00000
     12      11.8870      0.00000
     13      16.0915      0.00000
     14      17.0697      0.00000
     15      22.3067      0.00000
     16      23.2417      0.00000

 k-point    79 :      -0.1875    0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.4002      1.00000
      2       3.5752      1.00000
      3       3.5757      1.00000
      4       4.8453      1.00000
      5       4.8481      1.00000
      6       5.3851      0.93255
      7       6.8360      0.00000
      8       7.3453      0.00000
      9       7.3459      0.00000
     10       7.6028      0.00000
     11       7.6052      0.00000
     12      14.4849      0.00000
     13      14.4865      0.00000
     14      16.2251      0.00000
     15      24.8981      0.00000
     16      24.8986      0.00000

 k-point    80 :      -0.0625    0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3051      1.00000
      3       3.3976      1.00000
      4       4.9774      1.00000
      5       5.1783      1.00000
      6       6.2204      0.02770
      7       6.3223      0.00000
      8       7.1088      0.00000
      9       7.1647      0.00000
     10       7.4764      0.00000
     11       8.1225      0.00000
     12      13.4339      0.00000
     13      15.0636      0.00000
     14      17.9955      0.00000
     15      24.0913      0.00000
     16      25.0379      0.00000

 k-point    81 :       0.0625    0.3125    0.1875
  band No.  band energies     occupation 
      1       0.1147      1.00000
      2       3.2773      1.00000
      3       3.8846      1.00000
      4       4.8129      1.00000
      5       5.0438      1.00000
      6       5.5813      0.88878
      7       6.6419      0.00000
      8       6.8434      0.00000
      9       6.9091      0.00000
     10       7.6746      0.00000
     11       8.0366      0.00000
     12      11.1224      0.00000
     13      16.1295      0.00000
     14      19.6016      0.00000
     15      22.4087      0.00000
     16      24.6243      0.00000

 k-point    82 :       0.1875    0.3125    0.1875
  band No.  band energies     occupation 
      1       0.6363      1.00000
      2       3.6198      1.00000
      3       3.8699      1.00000
      4       4.6456      1.00000
      5       4.6581      1.00000
      6       4.9092      1.03279
      7       7.0618      0.00000
      8       7.1099      0.00000
      9       7.4410      0.00000
     10       7.6336      0.00000
     11       7.7597      0.00000
     12      11.8865      0.00000
     13      16.0914      0.00000
     14      17.0699      0.00000
     15      22.3069      0.00000
     16      23.2414      0.00000

 k-point    83 :       0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1       1.5058      1.00000
      2       3.4639      1.00000
      3       4.3260      1.00000
      4       4.3492      1.00000
      5       4.4514      1.00009
      6       4.5248      1.00189
      7       7.0919      0.00000
      8       7.3105      0.00000
      9       7.5742      0.00000
     10       7.7681      0.00000
     11       8.2011      0.00000
     12      12.0307      0.00000
     13      14.6573      0.00000
     14      17.6822      0.00000
     15      19.9042      0.00000
     16      22.9054      0.00000

 k-point    84 :       0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1       2.3617      1.00000
      2       2.9804      1.00000
      3       4.2180      1.00000
      4       4.2364      1.00000
      5       4.6585      1.00369
      6       4.7471      1.01681
      7       7.1299      0.00000
      8       7.2335      0.00000
      9       7.7012      0.00000
     10       7.7640      0.00000
     11       9.0580      0.00000
     12      10.3917      0.00000
     13      15.6409      0.00000
     14      17.5197      0.00000
     15      19.1414      0.00000
     16      21.0995      0.00000

 k-point    85 :      -0.4375    0.3125    0.1875
  band No.  band energies     occupation 
      1       2.3609      1.00000
      2       2.9811      1.00000
      3       4.2168      1.00000
      4       4.2370      1.00000
      5       4.6602      1.00006
      6       4.7463      1.00138
      7       7.1292      0.00000
      8       7.2344      0.00000
      9       7.7010      0.00000
     10       7.7642      0.00000
     11       9.0575      0.00000
     12      10.3917      0.00000
     13      15.6412      0.00000
     14      17.5194      0.00000
     15      19.1410      0.00000
     16      21.0998      0.00000

 k-point    86 :      -0.3125    0.3125    0.1875
  band No.  band energies     occupation 
      1       1.5053      1.00000
      2       3.4648      1.00000
      3       4.3255      1.00000
      4       4.3481      1.00000
      5       4.4514      1.00000
      6       4.5261      1.00000
      7       7.0920      0.00000
      8       7.3117      0.00000
      9       7.5740      0.00000
     10       7.7680      0.00000
     11       8.2004      0.00000
     12      12.0299      0.00000
     13      14.6583      0.00000
     14      17.6817      0.00000
     15      19.9040      0.00000
     16      22.9054      0.00000

 k-point    87 :      -0.1875    0.3125    0.1875
  band No.  band energies     occupation 
      1       0.6360      1.00000
      2       3.6197      1.00000
      3       3.8709      1.00000
      4       4.6473      1.00000
      5       4.6565      1.00000
      6       4.9081      1.04189
      7       7.0630      0.00000
      8       7.1110      0.00000
      9       7.4410      0.00000
     10       7.6328      0.00000
     11       7.7591      0.00000
     12      11.8857      0.00000
     13      16.0928      0.00000
     14      17.0690      0.00000
     15      22.3072      0.00000
     16      23.2407      0.00000

 k-point    88 :      -0.0625    0.3125    0.1875
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2772      1.00000
      3       3.8850      1.00000
      4       4.8129      1.00000
      5       5.0437      1.00000
      6       5.5804      0.88534
      7       6.6428      0.00000
      8       6.8438      0.00000
      9       6.9089      0.00000
     10       7.6745      0.00000
     11       8.0365      0.00000
     12      11.1221      0.00000
     13      16.1296      0.00000
     14      19.6015      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point    89 :       0.0625    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4560      1.00000
      2       2.6404      1.00000
      3       4.4233      1.00000
      4       4.7671      1.00000
      5       4.9608      1.00000
      6       5.1705      1.00000
      7       6.5134      0.00000
      8       6.6065      0.00000
      9       7.3646      0.00000
     10       7.7382      0.00000
     11       8.0705      0.00000
     12       9.1141      0.00000
     13      17.9334      0.00000
     14      20.0271      0.00000
     15      21.5847      0.00000
     16      23.7117      0.00000

 k-point    90 :       0.1875    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.8649      1.00000
      2       2.9349      1.00000
      3       4.1777      1.00000
      4       4.4288      1.00000
      5       4.7407      1.00000
      6       4.9064      1.00000
      7       6.8011      0.00000
      8       6.8676      0.00000
      9       7.6592      0.00000
     10       7.7116      0.00000
     11       8.4019      0.00000
     12       9.7485      0.00000
     13      17.9578      0.00000
     14      18.6464      0.00000
     15      20.0134      0.00000
     16      20.7559      0.00000

 k-point    91 :       0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1       2.3616      1.00000
      2       2.9803      1.00000
      3       4.2181      1.00000
      4       4.2364      1.00000
      5       4.6585      1.00369
      6       4.7472      1.01682
      7       7.1300      0.00000
      8       7.2336      0.00000
      9       7.7011      0.00000
     10       7.7639      0.00000
     11       9.0580      0.00000
     12      10.3916      0.00000
     13      15.6409      0.00000
     14      17.5197      0.00000
     15      19.1414      0.00000
     16      21.0995      0.00000

 k-point    92 :       0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1       2.6041      1.00000
      2       2.7701      1.00000
      3       4.0574      1.00000
      4       4.0891      1.00000
      5       5.1150      1.07405
      6       5.1862      1.06176
      7       7.3522      0.00000
      8       7.4102      0.00000
      9       7.7009      0.00000
     10       7.7544      0.00000
     11       9.7362      0.00000
     12      10.3874      0.00000
     13      14.5810      0.00000
     14      15.4488      0.00000
     15      20.4199      0.00000
     16      21.7592      0.00000

 k-point    93 :      -0.4375    0.4375    0.1875
  band No.  band energies     occupation 
      1       2.6028      1.00000
      2       2.7710      1.00000
      3       4.0562      1.00000
      4       4.0903      1.00000
      5       5.1164      1.00293
      6       5.1854      1.01226
      7       7.3512      0.00000
      8       7.4115      0.00000
      9       7.7009      0.00000
     10       7.7546      0.00000
     11       9.7360      0.00000
     12      10.3865      0.00000
     13      14.5816      0.00000
     14      15.4486      0.00000
     15      20.4196      0.00000
     16      21.7591      0.00000

 k-point    94 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1       2.3603      1.00000
      2       2.9808      1.00000
      3       4.2176      1.00000
      4       4.2376      1.00000
      5       4.6591      1.00000
      6       4.7468      1.00000
      7       7.1297      0.00000
      8       7.2352      0.00000
      9       7.7015      0.00000
     10       7.7640      0.00000
     11       9.0572      0.00000
     12      10.3901      0.00000
     13      15.6417      0.00000
     14      17.5195      0.00000
     15      19.1410      0.00000
     16      21.0994      0.00000

 k-point    95 :      -0.1875    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.8642      1.00000
      2       2.9347      1.00000
      3       4.1793      1.00000
      4       4.4298      1.00000
      5       4.7392      1.00000
      6       4.9058      1.00000
      7       6.8016      0.00000
      8       6.8693      0.00000
      9       7.6601      0.00000
     10       7.7113      0.00000
     11       8.4005      0.00000
     12       9.7472      0.00000
     13      17.9590      0.00000
     14      18.6455      0.00000
     15      20.0138      0.00000
     16      20.7551      0.00000

 k-point    96 :      -0.0625    0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4558      1.00000
      2       2.6403      1.00000
      3       4.4243      1.00000
      4       4.7679      1.00000
      5       4.9594      1.00000
      6       5.1696      1.00000
      7       6.5141      0.00000
      8       6.6076      0.00000
      9       7.3649      0.00000
     10       7.7380      0.00000
     11       8.0699      0.00000
     12       9.1135      0.00000
     13      17.9335      0.00000
     14      20.0272      0.00000
     15      21.5847      0.00000
     16      23.7112      0.00000

 k-point    97 :       0.0625   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6399      1.00000
      3       4.4236      1.00000
      4       4.7681      1.00000
      5       4.9620      1.00000
      6       5.1680      1.02473
      7       6.5138      0.00000
      8       6.6059      0.00000
      9       7.3626      0.00000
     10       7.7403      0.00000
     11       8.0702      0.00000
     12       9.1145      0.00000
     13      17.9330      0.00000
     14      20.0274      0.00000
     15      21.5851      0.00000
     16      23.7115      0.00000

 k-point    98 :       0.1875   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.8649      1.00000
      2       2.9349      1.00000
      3       4.1780      1.00000
      4       4.4286      1.00000
      5       4.7418      1.00000
      6       4.9055      1.00000
      7       6.8007      0.00000
      8       6.8679      0.00000
      9       7.6588      0.00000
     10       7.7122      0.00000
     11       8.4010      0.00000
     12       9.7491      0.00000
     13      17.9579      0.00000
     14      18.6462      0.00000
     15      20.0133      0.00000
     16      20.7561      0.00000

 k-point    99 :       0.3125   -0.4375    0.1875
  band No.  band energies     occupation 
      1       2.3609      1.00000
      2       2.9810      1.00000
      3       4.2167      1.00000
      4       4.2370      1.00000
      5       4.6604      1.00006
      6       4.7463      1.00138
      7       7.1292      0.00000
      8       7.2345      0.00000
      9       7.7009      0.00000
     10       7.7642      0.00000
     11       9.0574      0.00000
     12      10.3918      0.00000
     13      15.6413      0.00000
     14      17.5194      0.00000
     15      19.1410      0.00000
     16      21.0998      0.00000

 k-point   100 :       0.4375   -0.4375    0.1875
  band No.  band energies     occupation 
      1       2.6028      1.00000
      2       2.7710      1.00000
      3       4.0562      1.00000
      4       4.0903      1.00000
      5       5.1164      1.00293
      6       5.1854      1.01226
      7       7.3512      0.00000
      8       7.4115      0.00000
      9       7.7009      0.00000
     10       7.7546      0.00000
     11       9.7359      0.00000
     12      10.3865      0.00000
     13      14.5816      0.00000
     14      15.4486      0.00000
     15      20.4196      0.00000
     16      21.7591      0.00000

 k-point   101 :      -0.4375   -0.4375    0.1875
  band No.  band energies     occupation 
      1       2.6038      1.00000
      2       2.7695      1.00000
      3       4.0575      1.00000
      4       4.0891      1.00000
      5       5.1166      1.00006
      6       5.1858      1.00128
      7       7.3528      0.00000
      8       7.4104      0.00000
      9       7.7008      0.00000
     10       7.7553      0.00000
     11       9.7343      0.00000
     12      10.3869      0.00000
     13      14.5812      0.00000
     14      15.4492      0.00000
     15      20.4196      0.00000
     16      21.7593      0.00000

 k-point   102 :      -0.3125   -0.4375    0.1875
  band No.  band energies     occupation 
      1       2.3612      1.00000
      2       2.9792      1.00000
      3       4.2185      1.00000
      4       4.2366      1.00000
      5       4.6608      1.00000
      6       4.7461      1.00000
      7       7.1313      0.00000
      8       7.2339      0.00000
      9       7.7008      0.00000
     10       7.7652      0.00000
     11       9.0552      0.00000
     12      10.3910      0.00000
     13      15.6411      0.00000
     14      17.5200      0.00000
     15      19.1409      0.00000
     16      21.0995      0.00000

 k-point   103 :      -0.1875   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.8648      1.00000
      2       2.9337      1.00000
      3       4.1783      1.00000
      4       4.4308      1.00000
      5       4.7416      1.00000
      6       4.9039      1.03087
      7       6.8031      0.00000
      8       6.8679      0.00000
      9       7.6583      0.00000
     10       7.7134      0.00000
     11       8.3993      0.00000
     12       9.7480      0.00000
     13      17.9584      0.00000
     14      18.6454      0.00000
     15      20.0144      0.00000
     16      20.7553      0.00000

 k-point   104 :      -0.0625   -0.4375    0.1875
  band No.  band energies     occupation 
      1       1.4562      1.00000
      2       2.6396      1.00000
      3       4.4236      1.00000
      4       4.7699      1.00000
      5       4.9611      1.00000
      6       5.1670      1.04049
      7       6.5152      0.00000
      8       6.6064      0.00000
      9       7.3616      0.00000
     10       7.7411      0.00000
     11       8.0699      0.00000
     12       9.1138      0.00000
     13      17.9331      0.00000
     14      20.0275      0.00000
     15      21.5846      0.00000
     16      23.7114      0.00000

 k-point   105 :       0.0625   -0.3125    0.1875
  band No.  band energies     occupation 
      1       0.1148      1.00000
      2       3.2768      1.00000
      3       3.8849      1.00000
      4       4.8157      1.00000
      5       5.0434      1.00000
      6       5.5795      0.87306
      7       6.6413      0.00000
      8       6.8416      0.00000
      9       6.9082      0.00000
     10       7.6746      0.00000
     11       8.0391      0.00000
     12      11.1229      0.00000
     13      16.1290      0.00000
     14      19.6019      0.00000
     15      22.4090      0.00000
     16      24.6241      0.00000

 k-point   106 :       0.1875   -0.3125    0.1875
  band No.  band energies     occupation 
      1       0.6362      1.00000
      2       3.6199      1.00000
      3       3.8701      1.00000
      4       4.6454      1.00000
      5       4.6593      1.00000
      6       4.9081      1.03266
      7       7.0615      0.00000
      8       7.1102      0.00000
      9       7.4400      0.00000
     10       7.6334      0.00000
     11       7.7606      0.00000
     12      11.8870      0.00000
     13      16.0916      0.00000
     14      17.0696      0.00000
     15      22.3068      0.00000
     16      23.2417      0.00000

 k-point   107 :       0.3125   -0.3125    0.1875
  band No.  band energies     occupation 
      1       1.5053      1.00000
      2       3.4648      1.00000
      3       4.3255      1.00000
      4       4.3481      1.00000
      5       4.4513      1.00000
      6       4.5263      1.00000
      7       7.0921      0.00000
      8       7.3117      0.00000
      9       7.5740      0.00000
     10       7.7679      0.00000
     11       8.2001      0.00000
     12      12.0299      0.00000
     13      14.6583      0.00000
     14      17.6817      0.00000
     15      19.9040      0.00000
     16      22.9053      0.00000

 k-point   108 :       0.4375   -0.3125    0.1875
  band No.  band energies     occupation 
      1       2.3603      1.00000
      2       2.9807      1.00000
      3       4.2177      1.00000
      4       4.2378      1.00000
      5       4.6591      1.00000
      6       4.7467      1.00000
      7       7.1297      0.00000
      8       7.2353      0.00000
      9       7.7015      0.00000
     10       7.7639      0.00000
     11       9.0570      0.00000
     12      10.3901      0.00000
     13      15.6417      0.00000
     14      17.5195      0.00000
     15      19.1410      0.00000
     16      21.0994      0.00000

 k-point   109 :      -0.4375   -0.3125    0.1875
  band No.  band energies     occupation 
      1       2.3611      1.00000
      2       2.9792      1.00000
      3       4.2186      1.00000
      4       4.2366      1.00000
      5       4.6606      1.00000
      6       4.7461      1.00000
      7       7.1314      0.00000
      8       7.2339      0.00000
      9       7.7008      0.00000
     10       7.7652      0.00000
     11       9.0553      0.00000
     12      10.3910      0.00000
     13      15.6411      0.00000
     14      17.5200      0.00000
     15      19.1409      0.00000
     16      21.0996      0.00000

 k-point   110 :      -0.3125   -0.3125    0.1875
  band No.  band energies     occupation 
      1       1.5055      1.00000
      2       3.4632      1.00000
      3       4.3255      1.00000
      4       4.3495      1.00000
      5       4.4496      1.00000
      6       4.5279      1.02567
      7       7.0943      0.00000
      8       7.3107      0.00000
      9       7.5737      0.00000
     10       7.7693      0.00000
     11       8.1977      0.00000
     12      12.0300      0.00000
     13      14.6579      0.00000
     14      17.6816      0.00000
     15      19.9046      0.00000
     16      22.9056      0.00000

 k-point   111 :      -0.1875   -0.3125    0.1875
  band No.  band energies     occupation 
      1       0.6363      1.00000
      2       3.6191      1.00000
      3       3.8701      1.00000
      4       4.6481      1.00000
      5       4.6593      1.00000
      6       4.9058      1.10508
      7       7.0642      0.00000
      8       7.1099      0.00000
      9       7.4379      0.00000
     10       7.6327      0.00000
     11       7.7616      0.00000
     12      11.8864      0.00000
     13      16.0922      0.00000
     14      17.0688      0.00000
     15      22.3076      0.00000
     16      23.2411      0.00000

 k-point   112 :      -0.0625   -0.3125    0.1875
  band No.  band energies     occupation 
      1       0.1148      1.00000
      2       3.2767      1.00000
      3       3.8847      1.00000
      4       4.8160      1.00000
      5       5.0445      1.00000
      6       5.5775      0.84569
      7       6.6435      0.00000
      8       6.8405      0.00000
      9       6.9079      0.00000
     10       7.6744      0.00000
     11       8.0396      0.00000
     12      11.1225      0.00000
     13      16.1291      0.00000
     14      19.6015      0.00000
     15      22.4091      0.00000
     16      24.6245      0.00000

 k-point   113 :       0.0625   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3047      1.00000
      3       3.3978      1.00000
      4       4.9804      1.00000
      5       5.1772      1.00000
      6       6.2199      0.03559
      7       6.3207      0.00000
      8       7.1066      0.00000
      9       7.1641      0.00000
     10       7.4765      0.00000
     11       8.1253      0.00000
     12      13.4350      0.00000
     13      15.0623      0.00000
     14      17.9958      0.00000
     15      24.0910      0.00000
     16      25.0380      0.00000

 k-point   114 :       0.1875   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.4002      1.00000
      2       3.5752      1.00000
      3       3.5757      1.00000
      4       4.8452      1.00000
      5       4.8483      1.00000
      6       5.3848      0.93285
      7       6.8357      0.00000
      8       7.3454      0.00000
      9       7.3459      0.00000
     10       7.6027      0.00000
     11       7.6055      0.00000
     12      14.4850      0.00000
     13      14.4866      0.00000
     14      16.2250      0.00000
     15      24.8981      0.00000
     16      24.8986      0.00000

 k-point   115 :       0.3125   -0.1875    0.1875
  band No.  band energies     occupation 
      1       0.6360      1.00000
      2       3.6197      1.00000
      3       3.8709      1.00000
      4       4.6475      1.00000
      5       4.6565      1.00000
      6       4.9079      1.04186
      7       7.0632      0.00000
      8       7.1111      0.00000
      9       7.4407      0.00000
     10       7.6328      0.00000
     11       7.7590      0.00000
     12      11.8858      0.00000
     13      16.0929      0.00000
     14      17.0689      0.00000
     15      22.3073      0.00000
     16      23.2407      0.00000

 k-point   116 :       0.4375   -0.1875    0.1875
  band No.  band energies     occupation 
      1       1.8642      1.00000
      2       2.9347      1.00000
      3       4.1794      1.00000
      4       4.4299      1.00000
      5       4.7392      1.00000
      6       4.9056      1.00000
      7       6.8018      0.00000
      8       6.8694      0.00000
      9       7.6600      0.00000
     10       7.7113      0.00000
     11       8.4004      0.00000
     12       9.7472      0.00000
     13      17.9591      0.00000
     14      18.6454      0.00000
     15      20.0139      0.00000
     16      20.7551      0.00000

 k-point   117 :      -0.4375   -0.1875    0.1875
  band No.  band energies     occupation 
      1       1.8648      1.00000
      2       2.9337      1.00000
      3       4.1784      1.00000
      4       4.4310      1.00000
      5       4.7413      1.00000
      6       4.9039      1.03088
      7       6.8033      0.00000
      8       6.8679      0.00000
      9       7.6583      0.00000
     10       7.7132      0.00000
     11       8.3993      0.00000
     12       9.7480      0.00000
     13      17.9585      0.00000
     14      18.6454      0.00000
     15      20.0144      0.00000
     16      20.7552      0.00000

 k-point   118 :      -0.3125   -0.1875    0.1875
  band No.  band energies     occupation 
      1       0.6363      1.00000
      2       3.6191      1.00000
      3       3.8701      1.00000
      4       4.6483      1.00000
      5       4.6590      1.00000
      6       4.9058      1.10508
      7       7.0645      0.00000
      8       7.1099      0.00000
      9       7.4379      0.00000
     10       7.6327      0.00000
     11       7.7613      0.00000
     12      11.8863      0.00000
     13      16.0922      0.00000
     14      17.0688      0.00000
     15      22.3077      0.00000
     16      23.2411      0.00000

 k-point   119 :      -0.1875   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.4001      1.00000
      2       3.5752      1.00000
      3       3.5753      1.00000
      4       4.8476      1.00000
      5       4.8491      1.00000
      6       5.3820      1.03366
      7       6.8331      0.00000
      8       7.3451      0.00000
      9       7.3454      0.00000
     10       7.6050      0.00000
     11       7.6067      0.00000
     12      14.4858      0.00000
     13      14.4860      0.00000
     14      16.2242      0.00000
     15      24.8986      0.00000
     16      24.8989      0.00000

 k-point   120 :      -0.0625   -0.1875    0.1875
  band No.  band energies     occupation 
      1      -0.9769      1.00000
      2       3.3047      1.00000
      3       3.3976      1.00000
      4       4.9806      1.00000
      5       5.1789      1.00000
      6       6.2174      0.11465
      7       6.3190      0.00000
      8       7.1091      0.00000
      9       7.1641      0.00000
     10       7.4763      0.00000
     11       8.1256      0.00000
     12      13.4348      0.00000
     13      15.0626      0.00000
     14      17.9954      0.00000
     15      24.0914      0.00000
     16      25.0381      0.00000

 k-point   121 :       0.0625   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.5744      1.00000
      2       3.0712      1.00000
      3       3.1931      1.00000
      4       5.2467      1.00000
      5       5.3168      1.00000
      6       5.8700      0.10696
      7       6.9794      0.00000
      8       7.0880      0.00000
      9       7.4544      0.00000
     10       7.5555      0.00000
     11       8.0059      0.00000
     12      13.2357      0.00000
     13      16.9476      0.00000
     14      17.1652      0.00000
     15      23.3259      0.00000
     16      24.6545      0.00000

 k-point   122 :       0.1875   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.9770      1.00000
      2       3.3050      1.00000
      3       3.3977      1.00000
      4       4.9775      1.00000
      5       5.1785      1.00000
      6       6.2201      0.02793
      7       6.3220      0.00000
      8       7.1089      0.00000
      9       7.1647      0.00000
     10       7.4765      0.00000
     11       8.1226      0.00000
     12      13.4339      0.00000
     13      15.0636      0.00000
     14      17.9955      0.00000
     15      24.0913      0.00000
     16      25.0380      0.00000

 k-point   123 :       0.3125   -0.0625    0.1875
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2772      1.00000
      3       3.8850      1.00000
      4       4.8130      1.00000
      5       5.0439      1.00000
      6       5.5801      0.88556
      7       6.6430      0.00000
      8       6.8435      0.00000
      9       6.9089      0.00000
     10       7.6746      0.00000
     11       8.0365      0.00000
     12      11.1221      0.00000
     13      16.1297      0.00000
     14      19.6015      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point   124 :       0.4375   -0.0625    0.1875
  band No.  band energies     occupation 
      1       1.4558      1.00000
      2       2.6403      1.00000
      3       4.4243      1.00000
      4       4.7681      1.00000
      5       4.9594      1.00000
      6       5.1693      1.00000
      7       6.5143      0.00000
      8       6.6077      0.00000
      9       7.3645      0.00000
     10       7.7380      0.00000
     11       8.0699      0.00000
     12       9.1136      0.00000
     13      17.9335      0.00000
     14      20.0272      0.00000
     15      21.5847      0.00000
     16      23.7112      0.00000

 k-point   125 :      -0.4375   -0.0625    0.1875
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6396      1.00000
      3       4.4236      1.00000
      4       4.7699      1.00000
      5       4.9609      1.00000
      6       5.1670      1.04048
      7       6.5154      0.00000
      8       6.6064      0.00000
      9       7.3616      0.00000
     10       7.7407      0.00000
     11       8.0699      0.00000
     12       9.1138      0.00000
     13      17.9331      0.00000
     14      20.0275      0.00000
     15      21.5846      0.00000
     16      23.7114      0.00000

 k-point   126 :      -0.3125   -0.0625    0.1875
  band No.  band energies     occupation 
      1       0.1149      1.00000
      2       3.2767      1.00000
      3       3.8847      1.00000
      4       4.8157      1.00000
      5       5.0447      1.00000
      6       5.5775      0.84560
      7       6.6438      0.00000
      8       6.8405      0.00000
      9       6.9079      0.00000
     10       7.6745      0.00000
     11       8.0392      0.00000
     12      11.1225      0.00000
     13      16.1292      0.00000
     14      19.6015      0.00000
     15      22.4091      0.00000
     16      24.6245      0.00000

 k-point   127 :      -0.1875   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -0.9769      1.00000
      2       3.3047      1.00000
      3       3.3977      1.00000
      4       4.9803      1.00000
      5       5.1791      1.00000
      6       6.2174      0.11467
      7       6.3190      0.00000
      8       7.1094      0.00000
      9       7.1641      0.00000
     10       7.4763      0.00000
     11       8.1253      0.00000
     12      13.4348      0.00000
     13      15.0627      0.00000
     14      17.9954      0.00000
     15      24.0914      0.00000
     16      25.0382      0.00000

 k-point   128 :      -0.0625   -0.0625    0.1875
  band No.  band energies     occupation 
      1      -1.5743      1.00000
      2       3.0711      1.00000
      3       3.1930      1.00000
      4       5.2479      1.00000
      5       5.3182      1.00000
      6       5.8676      0.33592
      7       6.9768      0.00000
      8       7.0878      0.00000
      9       7.4556      0.00000
     10       7.5554      0.00000
     11       8.0074      0.00000
     12      13.2358      0.00000
     13      16.9483      0.00000
     14      17.1642      0.00000
     15      23.3261      0.00000
     16      24.6546      0.00000

 k-point   129 :       0.0625    0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.4000      1.00000
      2       3.1129      1.00000
      3       3.7626      1.00000
      4       5.2389      1.00000
      5       5.2765      1.00000
      6       6.2679     -0.10215
      7       6.2746      0.00000
      8       6.5207      0.00000
      9       6.7223      0.00000
     10       7.6987      0.00000
     11       7.7844      0.00000
     12      10.6091      0.00000
     13      18.8379      0.00000
     14      19.0414      0.00000
     15      23.8568      0.00000
     16      24.9732      0.00000

 k-point   130 :       0.1875    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2771      1.00000
      3       3.8851      1.00000
      4       4.8129      1.00000
      5       5.0435      1.00000
      6       5.5807      0.88517
      7       6.6422      0.00000
      8       6.8437      0.00000
      9       6.9095      0.00000
     10       7.6743      0.00000
     11       8.0368      0.00000
     12      11.1220      0.00000
     13      16.1297      0.00000
     14      19.6015      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point   131 :       0.3125    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9816      1.00000
      2       3.0721      1.00000
      3       4.4134      1.00000
      4       4.4861      1.00000
      5       4.9737      1.00000
      6       4.9902      1.00000
      7       6.6576      0.00000
      8       7.1762      0.00000
      9       7.4807      0.00000
     10       7.5879      0.00000
     11       8.2237      0.00000
     12      10.8633      0.00000
     13      14.6484      0.00000
     14      19.6167      0.00000
     15      20.8051      0.00000
     16      25.0080      0.00000

 k-point   132 :       0.4375    0.0625    0.3125
  band No.  band energies     occupation 
      1       1.8818      1.00000
      2       2.5777      1.00000
      3       4.3860      1.00000
      4       4.5463      1.00000
      5       4.9947      1.00280
      6       5.1453      1.01236
      7       6.9105      0.00000
      8       7.1099      0.00000
      9       7.7592      0.00000
     10       8.0923      0.00000
     11       8.1450      0.00000
     12       9.2692      0.00000
     13      15.4796      0.00000
     14      17.2643      0.00000
     15      22.3664      0.00000
     16      24.0276      0.00000

 k-point   133 :      -0.4375    0.0625    0.3125
  band No.  band energies     occupation 
      1       1.8826      1.00000
      2       2.5767      1.00000
      3       4.3883      1.00000
      4       4.5444      1.00000
      5       4.9949      1.07528
      6       5.1447      1.06551
      7       6.9112      0.00000
      8       7.1091      0.00000
      9       7.7591      0.00000
     10       8.0938      0.00000
     11       8.1431      0.00000
     12       9.2702      0.00000
     13      15.4791      0.00000
     14      17.2646      0.00000
     15      22.3667      0.00000
     16      24.0275      0.00000

 k-point   134 :      -0.3125    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9821      1.00000
      2       3.0711      1.00000
      3       4.4138      1.00000
      4       4.4886      1.00000
      5       4.9718      1.00292
      6       4.9898      1.03306
      7       6.6578      0.00000
      8       7.1753      0.00000
      9       7.4786      0.00000
     10       7.5880      0.00000
     11       8.2256      0.00000
     12      10.8643      0.00000
     13      14.6476      0.00000
     14      19.6170      0.00000
     15      20.8055      0.00000
     16      25.0080      0.00000

 k-point   135 :      -0.1875    0.0625    0.3125
  band No.  band energies     occupation 
      1       0.1148      1.00000
      2       3.2766      1.00000
      3       3.8850      1.00000
      4       4.8153      1.00000
      5       5.0434      1.00000
      6       5.5796      0.87277
      7       6.6416      0.00000
      8       6.8417      0.00000
      9       6.9086      0.00000
     10       7.6744      0.00000
     11       8.0388      0.00000
     12      11.1227      0.00000
     13      16.1292      0.00000
     14      19.6018      0.00000
     15      22.4090      0.00000
     16      24.6242      0.00000

 k-point   136 :      -0.0625    0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1129      1.00000
      3       3.7625      1.00000
      4       5.2413      1.00000
      5       5.2757      1.00000
      6       6.2677     -0.02707
      7       6.2733      0.00000
      8       6.5202      0.00000
      9       6.7214      0.00000
     10       7.7000      0.00000
     11       7.7845      0.00000
     12      10.6094      0.00000
     13      18.8370      0.00000
     14      19.0421      0.00000
     15      23.8567      0.00000
     16      24.9731      0.00000

 k-point   137 :       0.0625    0.1875    0.3125
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2771      1.00000
      3       3.8850      1.00000
      4       4.8129      1.00000
      5       5.0434      1.00000
      6       5.5809      0.88504
      7       6.6422      0.00000
      8       6.8440      0.00000
      9       6.9093      0.00000
     10       7.6743      0.00000
     11       8.0367      0.00000
     12      11.1219      0.00000
     13      16.1297      0.00000
     14      19.6015      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point   138 :       0.1875    0.1875    0.3125
  band No.  band energies     occupation 
      1       0.6361      1.00000
      2       3.6196      1.00000
      3       3.8707      1.00000
      4       4.6466      1.00000
      5       4.6566      1.00000
      6       4.9089      1.04198
      7       7.0623      0.00000
      8       7.1109      0.00000
      9       7.4419      0.00000
     10       7.6326      0.00000
     11       7.7594      0.00000
     12      11.8855      0.00000
     13      16.0925      0.00000
     14      17.0693      0.00000
     15      22.3071      0.00000
     16      23.2407      0.00000

 k-point   139 :       0.3125    0.1875    0.3125
  band No.  band energies     occupation 
      1       1.5053      1.00000
      2       3.4647      1.00000
      3       4.3252      1.00000
      4       4.3479      1.00000
      5       4.4523      1.00000
      6       4.5258      1.00000
      7       7.0919      0.00000
      8       7.3115      0.00000
      9       7.5737      0.00000
     10       7.7678      0.00000
     11       8.2014      0.00000
     12      12.0295      0.00000
     13      14.6581      0.00000
     14      17.6820      0.00000
     15      19.9039      0.00000
     16      22.9051      0.00000

 k-point   140 :       0.4375    0.1875    0.3125
  band No.  band energies     occupation 
      1       2.3609      1.00000
      2       2.9809      1.00000
      3       4.2168      1.00000
      4       4.2376      1.00000
      5       4.6598      1.00006
      6       4.7463      1.00138
      7       7.1293      0.00000
      8       7.2341      0.00000
      9       7.7009      0.00000
     10       7.7640      0.00000
     11       9.0585      0.00000
     12      10.3912      0.00000
     13      15.6411      0.00000
     14      17.5192      0.00000
     15      19.1412      0.00000
     16      21.0998      0.00000

 k-point   141 :      -0.4375    0.1875    0.3125
  band No.  band energies     occupation 
      1       2.3615      1.00000
      2       2.9801      1.00000
      3       4.2187      1.00000
      4       4.2365      1.00000
      5       4.6585      1.00368
      6       4.7469      1.01681
      7       7.1296      0.00000
      8       7.2337      0.00000
      9       7.7011      0.00000
     10       7.7643      0.00000
     11       9.0572      0.00000
     12      10.3923      0.00000
     13      15.6407      0.00000
     14      17.5195      0.00000
     15      19.1414      0.00000
     16      21.0997      0.00000

 k-point   142 :      -0.3125    0.1875    0.3125
  band No.  band energies     occupation 
      1       1.5057      1.00000
      2       3.4638      1.00000
      3       4.3262      1.00000
      4       4.3501      1.00000
      5       4.4511      1.00009
      6       4.5246      1.00188
      7       7.0916      0.00000
      8       7.3107      0.00000
      9       7.5741      0.00000
     10       7.7687      0.00000
     11       8.2003      0.00000
     12      12.0310      0.00000
     13      14.6572      0.00000
     14      17.6821      0.00000
     15      19.9041      0.00000
     16      22.9056      0.00000

 k-point   143 :      -0.1875    0.1875    0.3125
  band No.  band energies     occupation 
      1       0.6362      1.00000
      2       3.6196      1.00000
      3       3.8702      1.00000
      4       4.6458      1.00000
      5       4.6586      1.00000
      6       4.9086      1.03272
      7       7.0619      0.00000
      8       7.1102      0.00000
      9       7.4402      0.00000
     10       7.6335      0.00000
     11       7.7600      0.00000
     12      11.8866      0.00000
     13      16.0918      0.00000
     14      17.0696      0.00000
     15      22.3071      0.00000
     16      23.2412      0.00000

 k-point   144 :      -0.0625    0.1875    0.3125
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2772      1.00000
      3       3.8848      1.00000
      4       4.8128      1.00000
      5       5.0442      1.00000
      6       5.5807      0.88924
      7       6.6423      0.00000
      8       6.8434      0.00000
      9       6.9089      0.00000
     10       7.6745      0.00000
     11       8.0367      0.00000
     12      11.1224      0.00000
     13      16.1296      0.00000
     14      19.6015      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point   145 :       0.0625    0.3125    0.3125
  band No.  band energies     occupation 
      1       0.9816      1.00000
      2       3.0720      1.00000
      3       4.4134      1.00000
      4       4.4860      1.00000
      5       4.9740      1.00000
      6       4.9902      1.00000
      7       6.6576      0.00000
      8       7.1762      0.00000
      9       7.4809      0.00000
     10       7.5878      0.00000
     11       8.2236      0.00000
     12      10.8633      0.00000
     13      14.6483      0.00000
     14      19.6166      0.00000
     15      20.8052      0.00000
     16      25.0081      0.00000

 k-point   146 :       0.1875    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.5053      1.00000
      2       3.4646      1.00000
      3       4.3252      1.00000
      4       4.3478      1.00000
      5       4.4525      1.00000
      6       4.5259      1.00000
      7       7.0920      0.00000
      8       7.3115      0.00000
      9       7.5737      0.00000
     10       7.7677      0.00000
     11       8.2015      0.00000
     12      12.0295      0.00000
     13      14.6581      0.00000
     14      17.6820      0.00000
     15      19.9039      0.00000
     16      22.9051      0.00000

 k-point   147 :       0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1       2.3584      1.00000
      2       3.7646      1.00000
      3       4.1624      1.00000
      4       4.1639      1.00000
      5       4.1753      1.00000
      6       4.1769      1.00000
      7       7.4702      0.00000
      8       7.4704      0.00000
      9       7.5291      0.00000
     10       7.5302      0.00000
     11       9.1070      0.00000
     12      13.6934      0.00000
     13      13.6949      0.00000
     14      16.1881      0.00000
     15      20.2788      0.00000
     16      20.2792      0.00000

 k-point   148 :       0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1       3.0550      1.00000
      2       3.4083      1.00000
      3       4.0425      1.00000
      4       4.0520      1.00000
      5       4.2384      1.00000
      6       4.4380      1.00000
      7       7.4038      0.00000
      8       7.4568      0.00000
      9       7.6688      0.00000
     10       7.6895      0.00000
     11      10.1464      0.00000
     12      11.6612      0.00000
     13      15.6473      0.00000
     14      16.9340      0.00000
     15      17.8456      0.00000
     16      18.6362      0.00000

 k-point   149 :      -0.4375    0.3125    0.3125
  band No.  band energies     occupation 
      1       3.0549      1.00000
      2       3.4079      1.00000
      3       4.0423      1.00000
      4       4.0521      1.00000
      5       4.2389      1.00000
      6       4.4380      1.00000
      7       7.4035      0.00000
      8       7.4570      0.00000
      9       7.6689      0.00000
     10       7.6896      0.00000
     11      10.1456      0.00000
     12      11.6618      0.00000
     13      15.6474      0.00000
     14      16.9337      0.00000
     15      17.8456      0.00000
     16      18.6364      0.00000

 k-point   150 :      -0.3125    0.3125    0.3125
  band No.  band energies     occupation 
      1       2.3582      1.00000
      2       3.7638      1.00000
      3       4.1622      1.00000
      4       4.1647      1.00000
      5       4.1755      1.00000
      6       4.1773      1.00000
      7       7.4700      0.00000
      8       7.4707      0.00000
      9       7.5294      0.00000
     10       7.5302      0.00000
     11       9.1061      0.00000
     12      13.6936      0.00000
     13      13.6953      0.00000
     14      16.1877      0.00000
     15      20.2787      0.00000
     16      20.2794      0.00000

 k-point   151 :      -0.1875    0.3125    0.3125
  band No.  band energies     occupation 
      1       1.5052      1.00000
      2       3.4644      1.00000
      3       4.3253      1.00000
      4       4.3477      1.00000
      5       4.4523      1.00000
      6       4.5265      1.00000
      7       7.0924      0.00000
      8       7.3116      0.00000
      9       7.5738      0.00000
     10       7.7674      0.00000
     11       8.2008      0.00000
     12      12.0296      0.00000
     13      14.6582      0.00000
     14      17.6819      0.00000
     15      19.9040      0.00000
     16      22.9050      0.00000

 k-point   152 :      -0.0625    0.3125    0.3125
  band No.  band energies     occupation 
      1       0.9816      1.00000
      2       3.0720      1.00000
      3       4.4134      1.00000
      4       4.4860      1.00000
      5       4.9738      1.00000
      6       4.9905      1.00000
      7       6.6578      0.00000
      8       7.1763      0.00000
      9       7.4804      0.00000
     10       7.5879      0.00000
     11       8.2234      0.00000
     12      10.8633      0.00000
     13      14.6483      0.00000
     14      19.6167      0.00000
     15      20.8051      0.00000
     16      25.0081      0.00000

 k-point   153 :       0.0625    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.8818      1.00000
      2       2.5776      1.00000
      3       4.3859      1.00000
      4       4.5466      1.00000
      5       4.9947      1.00280
      6       5.1453      1.01236
      7       6.9105      0.00000
      8       7.1099      0.00000
      9       7.7592      0.00000
     10       8.0922      0.00000
     11       8.1452      0.00000
     12       9.2692      0.00000
     13      15.4795      0.00000
     14      17.2642      0.00000
     15      22.3664      0.00000
     16      24.0275      0.00000

 k-point   154 :       0.1875    0.4375    0.3125
  band No.  band energies     occupation 
      1       2.3608      1.00000
      2       2.9808      1.00000
      3       4.2168      1.00000
      4       4.2378      1.00000
      5       4.6599      1.00006
      6       4.7463      1.00139
      7       7.1294      0.00000
      8       7.2341      0.00000
      9       7.7009      0.00000
     10       7.7639      0.00000
     11       9.0587      0.00000
     12      10.3911      0.00000
     13      15.6411      0.00000
     14      17.5192      0.00000
     15      19.1412      0.00000
     16      21.0997      0.00000

 k-point   155 :       0.3125    0.4375    0.3125
  band No.  band energies     occupation 
      1       3.0548      1.00000
      2       3.4082      1.00000
      3       4.0426      1.00000
      4       4.0520      1.00000
      5       4.2385      1.00000
      6       4.4381      1.00000
      7       7.4038      0.00000
      8       7.4568      0.00000
      9       7.6687      0.00000
     10       7.6894      0.00000
     11      10.1464      0.00000
     12      11.6611      0.00000
     13      15.6474      0.00000
     14      16.9339      0.00000
     15      17.8457      0.00000
     16      18.6361      0.00000

 k-point   156 :       0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1       3.3421      1.00000
      2       3.3887      1.00000
      3       3.9320      1.00000
      4       3.9715      1.00000
      5       4.4036      1.00000
      6       4.5331      1.00000
      7       7.5555      0.00000
      8       7.5804      0.00000
      9       7.7069      0.00000
     10       7.7148      0.00000
     11      11.2677      0.00000
     12      12.2446      0.00000
     13      14.6947      0.00000
     14      15.8977      0.00000
     15      17.7053      0.00000
     16      19.1886      0.00000

 k-point   157 :      -0.4375    0.4375    0.3125
  band No.  band energies     occupation 
      1       3.3409      1.00000
      2       3.3888      1.00000
      3       3.9310      1.00000
      4       3.9732      1.00000
      5       4.4052      1.00000
      6       4.5321      1.00000
      7       7.5547      0.00000
      8       7.5815      0.00000
      9       7.7072      0.00000
     10       7.7146      0.00000
     11      11.2672      0.00000
     12      12.2439      0.00000
     13      14.6954      0.00000
     14      15.8978      0.00000
     15      17.7051      0.00000
     16      19.1885      0.00000

 k-point   158 :      -0.3125    0.4375    0.3125
  band No.  band energies     occupation 
      1       3.0532      1.00000
      2       3.4073      1.00000
      3       4.0440      1.00000
      4       4.0541      1.00000
      5       4.2381      1.00000
      6       4.4377      1.00000
      7       7.4037      0.00000
      8       7.4579      0.00000
      9       7.6686      0.00000
     10       7.6896      0.00000
     11      10.1455      0.00000
     12      11.6598      0.00000
     13      15.6487      0.00000
     14      16.9333      0.00000
     15      17.8463      0.00000
     16      18.6354      0.00000

 k-point   159 :      -0.1875    0.4375    0.3125
  band No.  band energies     occupation 
      1       2.3601      1.00000
      2       2.9803      1.00000
      3       4.2172      1.00000
      4       4.2388      1.00000
      5       4.6595      1.00000
      6       4.7464      1.00000
      7       7.1297      0.00000
      8       7.2351      0.00000
      9       7.7015      0.00000
     10       7.7637      0.00000
     11       9.0575      0.00000
     12      10.3900      0.00000
     13      15.6414      0.00000
     14      17.5194      0.00000
     15      19.1412      0.00000
     16      21.0993      0.00000

 k-point   160 :      -0.0625    0.4375    0.3125
  band No.  band energies     occupation 
      1       1.8816      1.00000
      2       2.5774      1.00000
      3       4.3859      1.00000
      4       4.5470      1.00000
      5       4.9946      1.00005
      6       5.1452      1.00116
      7       6.9108      0.00000
      8       7.1104      0.00000
      9       7.7606      0.00000
     10       8.0923      0.00000
     11       8.1437      0.00000
     12       9.2686      0.00000
     13      15.4796      0.00000
     14      17.2643      0.00000
     15      22.3664      0.00000
     16      24.0272      0.00000

 k-point   161 :       0.0625   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.8826      1.00000
      2       2.5766      1.00000
      3       4.3886      1.00000
      4       4.5443      1.00000
      5       4.9950      1.07528
      6       5.1446      1.06552
      7       6.9111      0.00000
      8       7.1091      0.00000
      9       7.7590      0.00000
     10       8.0940      0.00000
     11       8.1430      0.00000
     12       9.2703      0.00000
     13      15.4790      0.00000
     14      17.2646      0.00000
     15      22.3667      0.00000
     16      24.0275      0.00000

 k-point   162 :       0.1875   -0.4375    0.3125
  band No.  band energies     occupation 
      1       2.3614      1.00000
      2       2.9800      1.00000
      3       4.2189      1.00000
      4       4.2365      1.00000
      5       4.6585      1.00368
      6       4.7470      1.01682
      7       7.1296      0.00000
      8       7.2338      0.00000
      9       7.7010      0.00000
     10       7.7644      0.00000
     11       9.0571      0.00000
     12      10.3924      0.00000
     13      15.6407      0.00000
     14      17.5195      0.00000
     15      19.1414      0.00000
     16      21.0997      0.00000

 k-point   163 :       0.3125   -0.4375    0.3125
  band No.  band energies     occupation 
      1       3.0548      1.00000
      2       3.4077      1.00000
      3       4.0424      1.00000
      4       4.0522      1.00000
      5       4.2391      1.00000
      6       4.4381      1.00000
      7       7.4035      0.00000
      8       7.4570      0.00000
      9       7.6689      0.00000
     10       7.6895      0.00000
     11      10.1454      0.00000
     12      11.6619      0.00000
     13      15.6475      0.00000
     14      16.9336      0.00000
     15      17.8456      0.00000
     16      18.6364      0.00000

 k-point   164 :       0.4375   -0.4375    0.3125
  band No.  band energies     occupation 
      1       3.3409      1.00000
      2       3.3886      1.00000
      3       3.9310      1.00000
      4       3.9733      1.00000
      5       4.4053      1.00000
      6       4.5321      1.00000
      7       7.5548      0.00000
      8       7.5815      0.00000
      9       7.7072      0.00000
     10       7.7147      0.00000
     11      11.2671      0.00000
     12      12.2439      0.00000
     13      14.6954      0.00000
     14      15.8978      0.00000
     15      17.7051      0.00000
     16      19.1885      0.00000

 k-point   165 :      -0.4375   -0.4375    0.3125
  band No.  band energies     occupation 
      1       3.3415      1.00000
      2       3.3866      1.00000
      3       3.9322      1.00000
      4       3.9729      1.00000
      5       4.4053      1.00000
      6       4.5327      1.00000
      7       7.5561      0.00000
      8       7.5805      0.00000
      9       7.7077      0.00000
     10       7.7145      0.00000
     11      11.2656      0.00000
     12      12.2443      0.00000
     13      14.6951      0.00000
     14      15.8985      0.00000
     15      17.7049      0.00000
     16      19.1888      0.00000

 k-point   166 :      -0.3125   -0.4375    0.3125
  band No.  band energies     occupation 
      1       3.0541      1.00000
      2       3.4051      1.00000
      3       4.0447      1.00000
      4       4.0532      1.00000
      5       4.2395      1.00000
      6       4.4378      1.00000
      7       7.4052      0.00000
      8       7.4568      0.00000
      9       7.6698      0.00000
     10       7.6891      0.00000
     11      10.1434      0.00000
     12      11.6611      0.00000
     13      15.6481      0.00000
     14      16.9330      0.00000
     15      17.8467      0.00000
     16      18.6358      0.00000

 k-point   167 :      -0.1875   -0.4375    0.3125
  band No.  band energies     occupation 
      1       2.3610      1.00000
      2       2.9791      1.00000
      3       4.2198      1.00000
      4       4.2363      1.00000
      5       4.6598      1.00000
      6       4.7463      1.00000
      7       7.1310      0.00000
      8       7.2339      0.00000
      9       7.7007      0.00000
     10       7.7657      0.00000
     11       9.0552      0.00000
     12      10.3912      0.00000
     13      15.6409      0.00000
     14      17.5198      0.00000
     15      19.1410      0.00000
     16      21.0997      0.00000

 k-point   168 :      -0.0625   -0.4375    0.3125
  band No.  band energies     occupation 
      1       1.8824      1.00000
      2       2.5764      1.00000
      3       4.3889      1.00000
      4       4.5440      1.00000
      5       4.9947      1.00323
      6       5.1453      1.01321
      7       6.9117      0.00000
      8       7.1093      0.00000
      9       7.7589      0.00000
     10       8.0953      0.00000
     11       8.1419      0.00000
     12       9.2691      0.00000
     13      15.4791      0.00000
     14      17.2647      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point   169 :       0.0625   -0.3125    0.3125
  band No.  band energies     occupation 
      1       0.9821      1.00000
      2       3.0711      1.00000
      3       4.4138      1.00000
      4       4.4888      1.00000
      5       4.9717      1.00293
      6       4.9897      1.03304
      7       6.6577      0.00000
      8       7.1753      0.00000
      9       7.4784      0.00000
     10       7.5879      0.00000
     11       8.2259      0.00000
     12      10.8644      0.00000
     13      14.6476      0.00000
     14      19.6170      0.00000
     15      20.8055      0.00000
     16      25.0080      0.00000

 k-point   170 :       0.1875   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.5056      1.00000
      2       3.4637      1.00000
      3       4.3262      1.00000
      4       4.3503      1.00000
      5       4.4510      1.00009
      6       4.5245      1.00188
      7       7.0915      0.00000
      8       7.3108      0.00000
      9       7.5741      0.00000
     10       7.7689      0.00000
     11       8.2000      0.00000
     12      12.0311      0.00000
     13      14.6572      0.00000
     14      17.6821      0.00000
     15      19.9041      0.00000
     16      22.9056      0.00000

 k-point   171 :       0.3125   -0.3125    0.3125
  band No.  band energies     occupation 
      1       2.3581      1.00000
      2       3.7636      1.00000
      3       4.1621      1.00000
      4       4.1649      1.00000
      5       4.1755      1.00000
      6       4.1774      1.00000
      7       7.4700      0.00000
      8       7.4708      0.00000
      9       7.5295      0.00000
     10       7.5302      0.00000
     11       9.1058      0.00000
     12      13.6936      0.00000
     13      13.6954      0.00000
     14      16.1876      0.00000
     15      20.2788      0.00000
     16      20.2795      0.00000

 k-point   172 :       0.4375   -0.3125    0.3125
  band No.  band energies     occupation 
      1       3.0531      1.00000
      2       3.4072      1.00000
      3       4.0442      1.00000
      4       4.0542      1.00000
      5       4.2380      1.00000
      6       4.4376      1.00000
      7       7.4038      0.00000
      8       7.4580      0.00000
      9       7.6686      0.00000
     10       7.6896      0.00000
     11      10.1453      0.00000
     12      11.6598      0.00000
     13      15.6488      0.00000
     14      16.9332      0.00000
     15      17.8463      0.00000
     16      18.6354      0.00000

 k-point   173 :      -0.4375   -0.3125    0.3125
  band No.  band energies     occupation 
      1       3.0541      1.00000
      2       3.4051      1.00000
      3       4.0450      1.00000
      4       4.0534      1.00000
      5       4.2393      1.00000
      6       4.4377      1.00000
      7       7.4052      0.00000
      8       7.4568      0.00000
      9       7.6697      0.00000
     10       7.6891      0.00000
     11      10.1435      0.00000
     12      11.6609      0.00000
     13      15.6482      0.00000
     14      16.9330      0.00000
     15      17.8468      0.00000
     16      18.6357      0.00000

 k-point   174 :      -0.3125   -0.3125    0.3125
  band No.  band energies     occupation 
      1       2.3580      1.00000
      2       3.7608      1.00000
      3       4.1643      1.00000
      4       4.1657      1.00000
      5       4.1762      1.00000
      6       4.1766      1.00000
      7       7.4716      0.00000
      8       7.4725      0.00000
      9       7.5292      0.00000
     10       7.5294      0.00000
     11       9.1035      0.00000
     12      13.6943      0.00000
     13      13.6947      0.00000
     14      16.1872      0.00000
     15      20.2795      0.00000
     16      20.2799      0.00000

 k-point   175 :      -0.1875   -0.3125    0.3125
  band No.  band energies     occupation 
      1       1.5055      1.00000
      2       3.4632      1.00000
      3       4.3255      1.00000
      4       4.3507      1.00000
      5       4.4494      1.00000
      6       4.5268      1.02567
      7       7.0934      0.00000
      8       7.3108      0.00000
      9       7.5735      0.00000
     10       7.7704      0.00000
     11       8.1977      0.00000
     12      12.0303      0.00000
     13      14.6576      0.00000
     14      17.6817      0.00000
     15      19.9043      0.00000
     16      22.9058      0.00000

 k-point   176 :      -0.0625   -0.3125    0.3125
  band No.  band energies     occupation 
      1       0.9820      1.00000
      2       3.0710      1.00000
      3       4.4135      1.00000
      4       4.4890      1.00000
      5       4.9707      1.00005
      6       4.9909      1.05045
      7       6.6588      0.00000
      8       7.1755      0.00000
      9       7.4771      0.00000
     10       7.5877      0.00000
     11       8.2267      0.00000
     12      10.8638      0.00000
     13      14.6476      0.00000
     14      19.6170      0.00000
     15      20.8052      0.00000
     16      25.0083      0.00000

 k-point   177 :       0.0625   -0.1875    0.3125
  band No.  band energies     occupation 
      1       0.1148      1.00000
      2       3.2766      1.00000
      3       3.8850      1.00000
      4       4.8156      1.00000
      5       5.0433      1.00000
      6       5.5795      0.87300
      7       6.6415      0.00000
      8       6.8416      0.00000
      9       6.9085      0.00000
     10       7.6744      0.00000
     11       8.0391      0.00000
     12      11.1228      0.00000
     13      16.1291      0.00000
     14      19.6018      0.00000
     15      22.4090      0.00000
     16      24.6242      0.00000

 k-point   178 :       0.1875   -0.1875    0.3125
  band No.  band energies     occupation 
      1       0.6362      1.00000
      2       3.6196      1.00000
      3       3.8702      1.00000
      4       4.6457      1.00000
      5       4.6588      1.00000
      6       4.9084      1.03269
      7       7.0619      0.00000
      8       7.1103      0.00000
      9       7.4399      0.00000
     10       7.6335      0.00000
     11       7.7602      0.00000
     12      11.8867      0.00000
     13      16.0918      0.00000
     14      17.0695      0.00000
     15      22.3070      0.00000
     16      23.2413      0.00000

 k-point   179 :       0.3125   -0.1875    0.3125
  band No.  band energies     occupation 
      1       1.5052      1.00000
      2       3.4644      1.00000
      3       4.3254      1.00000
      4       4.3478      1.00000
      5       4.4520      1.00000
      6       4.5266      1.00000
      7       7.0925      0.00000
      8       7.3117      0.00000
      9       7.5738      0.00000
     10       7.7675      0.00000
     11       8.2004      0.00000
     12      12.0297      0.00000
     13      14.6582      0.00000
     14      17.6818      0.00000
     15      19.9040      0.00000
     16      22.9051      0.00000

 k-point   180 :       0.4375   -0.1875    0.3125
  band No.  band energies     occupation 
      1       2.3602      1.00000
      2       2.9804      1.00000
      3       4.2174      1.00000
      4       4.2386      1.00000
      5       4.6595      1.00000
      6       4.7464      1.00000
      7       7.1298      0.00000
      8       7.2352      0.00000
      9       7.7015      0.00000
     10       7.7637      0.00000
     11       9.0572      0.00000
     12      10.3901      0.00000
     13      15.6415      0.00000
     14      17.5194      0.00000
     15      19.1412      0.00000
     16      21.0994      0.00000

 k-point   181 :      -0.4375   -0.1875    0.3125
  band No.  band energies     occupation 
      1       2.3610      1.00000
      2       2.9791      1.00000
      3       4.2197      1.00000
      4       4.2364      1.00000
      5       4.6599      1.00000
      6       4.7463      1.00000
      7       7.1311      0.00000
      8       7.2339      0.00000
      9       7.7007      0.00000
     10       7.7656      0.00000
     11       9.0552      0.00000
     12      10.3911      0.00000
     13      15.6410      0.00000
     14      17.5198      0.00000
     15      19.1410      0.00000
     16      21.0997      0.00000

 k-point   182 :      -0.3125   -0.1875    0.3125
  band No.  band energies     occupation 
      1       1.5055      1.00000
      2       3.4632      1.00000
      3       4.3255      1.00000
      4       4.3504      1.00000
      5       4.4495      1.00000
      6       4.5270      1.02567
      7       7.0936      0.00000
      8       7.3108      0.00000
      9       7.5735      0.00000
     10       7.7702      0.00000
     11       8.1977      0.00000
     12      12.0302      0.00000
     13      14.6576      0.00000
     14      17.6816      0.00000
     15      19.9044      0.00000
     16      22.9058      0.00000

 k-point   183 :      -0.1875   -0.1875    0.3125
  band No.  band energies     occupation 
      1       0.6363      1.00000
      2       3.6191      1.00000
      3       3.8701      1.00000
      4       4.6472      1.00000
      5       4.6603      1.00000
      6       4.9057      1.10507
      7       7.0633      0.00000
      8       7.1100      0.00000
      9       7.4380      0.00000
     10       7.6324      0.00000
     11       7.7626      0.00000
     12      11.8865      0.00000
     13      16.0920      0.00000
     14      17.0689      0.00000
     15      22.3074      0.00000
     16      23.2413      0.00000

 k-point   184 :      -0.0625   -0.1875    0.3125
  band No.  band energies     occupation 
      1       0.1148      1.00000
      2       3.2766      1.00000
      3       3.8849      1.00000
      4       4.8158      1.00000
      5       5.0447      1.00000
      6       5.5774      0.84562
      7       6.6432      0.00000
      8       6.8407      0.00000
      9       6.9080      0.00000
     10       7.6742      0.00000
     11       8.0399      0.00000
     12      11.1225      0.00000
     13      16.1292      0.00000
     14      19.6015      0.00000
     15      22.4091      0.00000
     16      24.6245      0.00000

 k-point   185 :       0.0625   -0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.3999      1.00000
      2       3.1129      1.00000
      3       3.7625      1.00000
      4       5.2416      1.00000
      5       5.2757      1.00000
      6       6.2674     -0.02687
      7       6.2730      0.00000
      8       6.5202      0.00000
      9       6.7214      0.00000
     10       7.7002      0.00000
     11       7.7845      0.00000
     12      10.6095      0.00000
     13      18.8370      0.00000
     14      19.0421      0.00000
     15      23.8566      0.00000
     16      24.9731      0.00000

 k-point   186 :       0.1875   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.1146      1.00000
      2       3.2772      1.00000
      3       3.8849      1.00000
      4       4.8128      1.00000
      5       5.0444      1.00000
      6       5.5804      0.88949
      7       6.6424      0.00000
      8       6.8432      0.00000
      9       6.9089      0.00000
     10       7.6745      0.00000
     11       8.0368      0.00000
     12      11.1224      0.00000
     13      16.1296      0.00000
     14      19.6014      0.00000
     15      22.4088      0.00000
     16      24.6244      0.00000

 k-point   187 :       0.3125   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9816      1.00000
      2       3.0720      1.00000
      3       4.4134      1.00000
      4       4.4861      1.00000
      5       4.9735      1.00000
      6       4.9906      1.00000
      7       6.6579      0.00000
      8       7.1764      0.00000
      9       7.4800      0.00000
     10       7.5879      0.00000
     11       8.2235      0.00000
     12      10.8634      0.00000
     13      14.6484      0.00000
     14      19.6167      0.00000
     15      20.8051      0.00000
     16      25.0081      0.00000

 k-point   188 :       0.4375   -0.0625    0.3125
  band No.  band energies     occupation 
      1       1.8817      1.00000
      2       2.5775      1.00000
      3       4.3860      1.00000
      4       4.5467      1.00000
      5       4.9946      1.00005
      6       5.1452      1.00116
      7       6.9108      0.00000
      8       7.1105      0.00000
      9       7.7605      0.00000
     10       8.0923      0.00000
     11       8.1434      0.00000
     12       9.2686      0.00000
     13      15.4797      0.00000
     14      17.2643      0.00000
     15      22.3664      0.00000
     16      24.0272      0.00000

 k-point   189 :      -0.4375   -0.0625    0.3125
  band No.  band energies     occupation 
      1       1.8825      1.00000
      2       2.5765      1.00000
      3       4.3886      1.00000
      4       4.5440      1.00000
      5       4.9947      1.00323
      6       5.1454      1.01321
      7       6.9119      0.00000
      8       7.1094      0.00000
      9       7.7589      0.00000
     10       8.0950      0.00000
     11       8.1420      0.00000
     12       9.2691      0.00000
     13      15.4792      0.00000
     14      17.2647      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point   190 :      -0.3125   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.9820      1.00000
      2       3.0710      1.00000
      3       4.4135      1.00000
      4       4.4887      1.00000
      5       4.9707      1.00005
      6       4.9911      1.05044
      7       6.6590      0.00000
      8       7.1755      0.00000
      9       7.4772      0.00000
     10       7.5878      0.00000
     11       8.2264      0.00000
     12      10.8638      0.00000
     13      14.6477      0.00000
     14      19.6171      0.00000
     15      20.8051      0.00000
     16      25.0083      0.00000

 k-point   191 :      -0.1875   -0.0625    0.3125
  band No.  band energies     occupation 
      1       0.1149      1.00000
      2       3.2766      1.00000
      3       3.8849      1.00000
      4       4.8154      1.00000
      5       5.0449      1.00000
      6       5.5774      0.84550
      7       6.6434      0.00000
      8       6.8407      0.00000
      9       6.9079      0.00000
     10       7.6742      0.00000
     11       8.0396      0.00000
     12      11.1225      0.00000
     13      16.1292      0.00000
     14      19.6014      0.00000
     15      22.4091      0.00000
     16      24.6245      0.00000

 k-point   192 :      -0.0625   -0.0625    0.3125
  band No.  band energies     occupation 
      1      -0.3998      1.00000
      2       3.1128      1.00000
      3       3.7624      1.00000
      4       5.2424      1.00000
      5       5.2771      1.00000
      6       6.2649      0.09136
      7       6.2710      0.00000
      8       6.5200      0.00000
      9       6.7227      0.00000
     10       7.7018      0.00000
     11       7.7844      0.00000
     12      10.6094      0.00000
     13      18.8376      0.00000
     14      19.0413      0.00000
     15      23.8569      0.00000
     16      24.9733      0.00000

 k-point   193 :       0.0625    0.0625    0.4375
  band No.  band energies     occupation 
      1       1.1001      1.00000
      2       2.4668      1.00000
      3       4.4952      1.00000
      4       5.1205      1.00000
      5       5.4067      1.00000
      6       5.7551      0.89248
      7       6.0219      0.00000
      8       6.1592      0.00000
      9       6.7631      0.00000
     10       7.2570      0.00000
     11       8.1036      0.00000
     12       8.8589      0.00000
     13      20.9529      0.00000
     14      21.3085      0.00000
     15      22.9754      0.00000
     16      23.7995      0.00000

 k-point   194 :       0.1875    0.0625    0.4375
  band No.  band energies     occupation 
      1       1.4558      1.00000
      2       2.6403      1.00000
      3       4.4242      1.00000
      4       4.7678      1.00000
      5       4.9593      1.00000
      6       5.1697      1.00000
      7       6.5139      0.00000
      8       6.6074      0.00000
      9       7.3654      0.00000
     10       7.7384      0.00000
     11       8.0697      0.00000
     12       9.1133      0.00000
     13      17.9335      0.00000
     14      20.0272      0.00000
     15      21.5847      0.00000
     16      23.7112      0.00000

 k-point   195 :       0.3125    0.0625    0.4375
  band No.  band energies     occupation 
      1       1.8817      1.00000
      2       2.5776      1.00000
      3       4.3860      1.00000
      4       4.5466      1.00000
      5       4.9948      1.00005
      6       5.1450      1.00116
      7       6.9107      0.00000
      8       7.1103      0.00000
      9       7.7605      0.00000
     10       8.0926      0.00000
     11       8.1438      0.00000
     12       9.2684      0.00000
     13      15.4797      0.00000
     14      17.2643      0.00000
     15      22.3664      0.00000
     16      24.0272      0.00000

 k-point   196 :       0.4375    0.0625    0.4375
  band No.  band energies     occupation 
      1       2.1377      1.00000
      2       2.3448      1.00000
      3       4.1627      1.00000
      4       4.2239      1.00000
      5       5.8065      0.83744
      6       5.8917      0.71092
      7       7.2100      0.00000
      8       7.3112      0.00000
      9       7.6889      0.00000
     10       8.0280      0.00000
     11       8.5077      0.00000
     12       8.9040      0.00000
     13      14.5539      0.00000
     14      15.3097      0.00000
     15      23.3109      0.00000
     16      24.0020      0.00000

 k-point   197 :      -0.4375    0.0625    0.4375
  band No.  band energies     occupation 
      1       2.1388      1.00000
      2       2.3438      1.00000
      3       4.1652      1.00000
      4       4.2215      1.00000
      5       5.8073      0.64094
      6       5.8907      0.52239
      7       7.2108      0.00000
      8       7.3102      0.00000
      9       7.6889      0.00000
     10       8.0281      0.00000
     11       8.5056      0.00000
     12       8.9063      0.00000
     13      14.5533      0.00000
     14      15.3102      0.00000
     15      23.3110      0.00000
     16      24.0023      0.00000

 k-point   198 :      -0.3125    0.0625    0.4375
  band No.  band energies     occupation 
      1       1.8826      1.00000
      2       2.5766      1.00000
      3       4.3884      1.00000
      4       4.5442      1.00000
      5       4.9952      1.07528
      6       5.1447      1.06553
      7       6.9113      0.00000
      8       7.1092      0.00000
      9       7.7587      0.00000
     10       8.0937      0.00000
     11       8.1434      0.00000
     12       9.2700      0.00000
     13      15.4792      0.00000
     14      17.2647      0.00000
     15      22.3667      0.00000
     16      24.0274      0.00000

 k-point   199 :      -0.1875    0.0625    0.4375
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6398      1.00000
      3       4.4237      1.00000
      4       4.7685      1.00000
      5       4.9612      1.00000
      6       5.1681      1.02476
      7       6.5143      0.00000
      8       6.6061      0.00000
      9       7.3629      0.00000
     10       7.7400      0.00000
     11       8.0702      0.00000
     12       9.1143      0.00000
     13      17.9331      0.00000
     14      20.0275      0.00000
     15      21.5850      0.00000
     16      23.7113      0.00000

 k-point   200 :      -0.0625    0.0625    0.4375
  band No.  band energies     occupation 
      1       1.1002      1.00000
      2       2.4667      1.00000
      3       4.4948      1.00000
      4       5.1205      1.00000
      5       5.4091      1.00000
      6       5.7549      0.83244
      7       6.0206      0.00000
      8       6.1584      0.00000
      9       6.7617      0.00000
     10       7.2582      0.00000
     11       8.1037      0.00000
     12       8.8592      0.00000
     13      20.9522      0.00000
     14      21.3091      0.00000
     15      22.9752      0.00000
     16      23.8001      0.00000

 k-point   201 :       0.0625    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4558      1.00000
      2       2.6403      1.00000
      3       4.4242      1.00000
      4       4.7677      1.00000
      5       4.9594      1.00000
      6       5.1699      1.00000
      7       6.5139      0.00000
      8       6.6073      0.00000
      9       7.3656      0.00000
     10       7.7383      0.00000
     11       8.0697      0.00000
     12       9.1133      0.00000
     13      17.9335      0.00000
     14      20.0272      0.00000
     15      21.5847      0.00000
     16      23.7112      0.00000

 k-point   202 :       0.1875    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.8642      1.00000
      2       2.9348      1.00000
      3       4.1789      1.00000
      4       4.4293      1.00000
      5       4.7393      1.00000
      6       4.9065      1.00000
      7       6.8012      0.00000
      8       6.8689      0.00000
      9       7.6605      0.00000
     10       7.7116      0.00000
     11       8.4009      0.00000
     12       9.7469      0.00000
     13      17.9587      0.00000
     14      18.6457      0.00000
     15      20.0137      0.00000
     16      20.7552      0.00000

 k-point   203 :       0.3125    0.1875    0.4375
  band No.  band energies     occupation 
      1       2.3603      1.00000
      2       2.9806      1.00000
      3       4.2172      1.00000
      4       4.2381      1.00000
      5       4.6592      1.00000
      6       4.7468      1.00000
      7       7.1295      0.00000
      8       7.2349      0.00000
      9       7.7014      0.00000
     10       7.7640      0.00000
     11       9.0580      0.00000
     12      10.3898      0.00000
     13      15.6415      0.00000
     14      17.5193      0.00000
     15      19.1412      0.00000
     16      21.0993      0.00000

 k-point   204 :       0.4375    0.1875    0.4375
  band No.  band energies     occupation 
      1       2.6027      1.00000
      2       2.7708      1.00000
      3       4.0559      1.00000
      4       4.0912      1.00000
      5       5.1166      1.00292
      6       5.1851      1.01226
      7       7.3513      0.00000
      8       7.4113      0.00000
      9       7.7006      0.00000
     10       7.7545      0.00000
     11       9.7370      0.00000
     12      10.3862      0.00000
     13      14.5814      0.00000
     14      15.4483      0.00000
     15      20.4197      0.00000
     16      21.7588      0.00000

 k-point   205 :      -0.4375    0.1875    0.4375
  band No.  band energies     occupation 
      1       2.6037      1.00000
      2       2.7698      1.00000
      3       4.0583      1.00000
      4       4.0889      1.00000
      5       5.1149      1.07405
      6       5.1866      1.06175
      7       7.3520      0.00000
      8       7.4104      0.00000
      9       7.7008      0.00000
     10       7.7543      0.00000
     11       9.7356      0.00000
     12      10.3882      0.00000
     13      14.5808      0.00000
     14      15.4487      0.00000
     15      20.4198      0.00000
     16      21.7594      0.00000

 k-point   206 :      -0.3125    0.1875    0.4375
  band No.  band energies     occupation 
      1       2.3613      1.00000
      2       2.9800      1.00000
      3       4.2189      1.00000
      4       4.2362      1.00000
      5       4.6585      1.00369
      6       4.7476      1.01682
      7       7.1299      0.00000
      8       7.2339      0.00000
      9       7.7007      0.00000
     10       7.7640      0.00000
     11       9.0575      0.00000
     12      10.3919      0.00000
     13      15.6409      0.00000
     14      17.5196      0.00000
     15      19.1413      0.00000
     16      21.0996      0.00000

 k-point   207 :      -0.1875    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.8647      1.00000
      2       2.9346      1.00000
      3       4.1780      1.00000
      4       4.4289      1.00000
      5       4.7412      1.00000
      6       4.9062      1.00000
      7       6.8012      0.00000
      8       6.8679      0.00000
      9       7.6587      0.00000
     10       7.7116      0.00000
     11       8.4015      0.00000
     12       9.7487      0.00000
     13      17.9581      0.00000
     14      18.6461      0.00000
     15      20.0136      0.00000
     16      20.7557      0.00000

 k-point   208 :      -0.0625    0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4559      1.00000
      2       2.6403      1.00000
      3       4.4236      1.00000
      4       4.7670      1.00000
      5       4.9610      1.00000
      6       5.1700      1.00000
      7       6.5136      0.00000
      8       6.6069      0.00000
      9       7.3642      0.00000
     10       7.7383      0.00000
     11       8.0703      0.00000
     12       9.1141      0.00000
     13      17.9334      0.00000
     14      20.0272      0.00000
     15      21.5846      0.00000
     16      23.7116      0.00000

 k-point   209 :       0.0625    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.8817      1.00000
      2       2.5775      1.00000
      3       4.3859      1.00000
      4       4.5468      1.00000
      5       4.9947      1.00005
      6       5.1450      1.00116
      7       6.9106      0.00000
      8       7.1102      0.00000
      9       7.7606      0.00000
     10       8.0925      0.00000
     11       8.1440      0.00000
     12       9.2683      0.00000
     13      15.4796      0.00000
     14      17.2642      0.00000
     15      22.3664      0.00000
     16      24.0272      0.00000

 k-point   210 :       0.1875    0.3125    0.4375
  band No.  band energies     occupation 
      1       2.3602      1.00000
      2       2.9806      1.00000
      3       4.2171      1.00000
      4       4.2383      1.00000
      5       4.6593      1.00000
      6       4.7467      1.00000
      7       7.1295      0.00000
      8       7.2349      0.00000
      9       7.7014      0.00000
     10       7.7639      0.00000
     11       9.0581      0.00000
     12      10.3898      0.00000
     13      15.6414      0.00000
     14      17.5193      0.00000
     15      19.1412      0.00000
     16      21.0993      0.00000

 k-point   211 :       0.3125    0.3125    0.4375
  band No.  band energies     occupation 
      1       3.0533      1.00000
      2       3.4078      1.00000
      3       4.0434      1.00000
      4       4.0534      1.00000
      5       4.2384      1.00000
      6       4.4380      1.00000
      7       7.4037      0.00000
      8       7.4578      0.00000
      9       7.6686      0.00000
     10       7.6894      0.00000
     11      10.1463      0.00000
     12      11.6597      0.00000
     13      15.6483      0.00000
     14      16.9336      0.00000
     15      17.8460      0.00000
     16      18.6355      0.00000

 k-point   212 :       0.4375    0.3125    0.4375
  band No.  band energies     occupation 
      1       3.3407      1.00000
      2       3.3887      1.00000
      3       3.9307      1.00000
      4       3.9737      1.00000
      5       4.4056      1.00000
      6       4.5318      1.00000
      7       7.5549      0.00000
      8       7.5814      0.00000
      9       7.7071      0.00000
     10       7.7144      0.00000
     11      11.2680      0.00000
     12      12.2436      0.00000
     13      14.6951      0.00000
     14      15.8975      0.00000
     15      17.7053      0.00000
     16      19.1882      0.00000

 k-point   213 :      -0.4375    0.3125    0.4375
  band No.  band energies     occupation 
      1       3.3416      1.00000
      2       3.3882      1.00000
      3       3.9329      1.00000
      4       3.9715      1.00000
      5       4.4034      1.00000
      6       4.5337      1.00000
      7       7.5554      0.00000
      8       7.5807      0.00000
      9       7.7068      0.00000
     10       7.7146      0.00000
     11      11.2671      0.00000
     12      12.2453      0.00000
     13      14.6945      0.00000
     14      15.8976      0.00000
     15      17.7052      0.00000
     16      19.1889      0.00000

 k-point   214 :      -0.3125    0.3125    0.4375
  band No.  band energies     occupation 
      1       3.0544      1.00000
      2       3.4074      1.00000
      3       4.0427      1.00000
      4       4.0523      1.00000
      5       4.2391      1.00000
      6       4.4386      1.00000
      7       7.4040      0.00000
      8       7.4571      0.00000
      9       7.6684      0.00000
     10       7.6892      0.00000
     11      10.1458      0.00000
     12      11.6613      0.00000
     13      15.6477      0.00000
     14      16.9336      0.00000
     15      17.8459      0.00000
     16      18.6360      0.00000

 k-point   215 :      -0.1875    0.3125    0.4375
  band No.  band energies     occupation 
      1       2.3606      1.00000
      2       2.9805      1.00000
      3       4.2166      1.00000
      4       4.2378      1.00000
      5       4.6606      1.00006
      6       4.7465      1.00139
      7       7.1296      0.00000
      8       7.2344      0.00000
      9       7.7006      0.00000
     10       7.7636      0.00000
     11       9.0581      0.00000
     12      10.3913      0.00000
     13      15.6411      0.00000
     14      17.5194      0.00000
     15      19.1411      0.00000
     16      21.0996      0.00000

 k-point   216 :      -0.0625    0.3125    0.4375
  band No.  band energies     occupation 
      1       1.8817      1.00000
      2       2.5775      1.00000
      3       4.3858      1.00000
      4       4.5466      1.00000
      5       4.9947      1.00280
      6       5.1456      1.01235
      7       6.9106      0.00000
      8       7.1101      0.00000
      9       7.7590      0.00000
     10       8.0920      0.00000
     11       8.1450      0.00000
     12       9.2693      0.00000
     13      15.4796      0.00000
     14      17.2643      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point   217 :       0.0625    0.4375    0.4375
  band No.  band energies     occupation 
      1       2.1377      1.00000
      2       2.3447      1.00000
      3       4.1626      1.00000
      4       4.2242      1.00000
      5       5.8064      0.83748
      6       5.8918      0.71087
      7       7.2100      0.00000
      8       7.3111      0.00000
      9       7.6888      0.00000
     10       8.0279      0.00000
     11       8.5080      0.00000
     12       8.9040      0.00000
     13      14.5538      0.00000
     14      15.3097      0.00000
     15      23.3109      0.00000
     16      24.0019      0.00000

 k-point   218 :       0.1875    0.4375    0.4375
  band No.  band energies     occupation 
      1       2.6026      1.00000
      2       2.7706      1.00000
      3       4.0559      1.00000
      4       4.0915      1.00000
      5       5.1168      1.00292
      6       5.1850      1.01226
      7       7.3514      0.00000
      8       7.4112      0.00000
      9       7.7006      0.00000
     10       7.7544      0.00000
     11       9.7371      0.00000
     12      10.3861      0.00000
     13      14.5813      0.00000
     14      15.4483      0.00000
     15      20.4198      0.00000
     16      21.7588      0.00000

 k-point   219 :       0.3125    0.4375    0.4375
  band No.  band energies     occupation 
      1       3.3406      1.00000
      2       3.3885      1.00000
      3       3.9306      1.00000
      4       3.9740      1.00000
      5       4.4058      1.00000
      6       4.5317      1.00000
      7       7.5550      0.00000
      8       7.5813      0.00000
      9       7.7070      0.00000
     10       7.7144      0.00000
     11      11.2680      0.00000
     12      12.2435      0.00000
     13      14.6951      0.00000
     14      15.8975      0.00000
     15      17.7054      0.00000
     16      19.1882      0.00000

 k-point   220 :       0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1       3.7136      1.00000
      2       3.9092      1.00000
      3       3.9109      1.00000
      4       3.9999      1.00000
      5       4.0936      1.00000
      6       4.0955      1.00000
      7       7.7120      0.00000
      8       7.7120      0.00000
      9       7.7189      0.00000
     10       7.7196      0.00000
     11      12.8403      0.00000
     12      14.3637      0.00000
     13      14.3649      0.00000
     14      16.3019      0.00000
     15      16.6939      0.00000
     16      16.6945      0.00000

 k-point   221 :      -0.4375    0.4375    0.4375
  band No.  band energies     occupation 
      1       3.7128      1.00000
      2       3.9091      1.00000
      3       3.9117      1.00000
      4       3.9993      1.00000
      5       4.0936      1.00000
      6       4.0962      1.00000
      7       7.7117      0.00000
      8       7.7122      0.00000
      9       7.7191      0.00000
     10       7.7195      0.00000
     11      12.8398      0.00000
     12      14.3638      0.00000
     13      14.3654      0.00000
     14      16.3015      0.00000
     15      16.6938      0.00000
     16      16.6950      0.00000

 k-point   222 :      -0.3125    0.4375    0.4375
  band No.  band energies     occupation 
      1       3.3404      1.00000
      2       3.3881      1.00000
      3       3.9306      1.00000
      4       3.9744      1.00000
      5       4.4061      1.00000
      6       4.5318      1.00000
      7       7.5551      0.00000
      8       7.5814      0.00000
      9       7.7069      0.00000
     10       7.7144      0.00000
     11      11.2676      0.00000
     12      12.2436      0.00000
     13      14.6952      0.00000
     14      15.8977      0.00000
     15      17.7053      0.00000
     16      19.1881      0.00000

 k-point   223 :      -0.1875    0.4375    0.4375
  band No.  band energies     occupation 
      1       2.6025      1.00000
      2       2.7705      1.00000
      3       4.0558      1.00000
      4       4.0915      1.00000
      5       5.1171      1.00292
      6       5.1851      1.01226
      7       7.3514      0.00000
      8       7.4113      0.00000
      9       7.7006      0.00000
     10       7.7542      0.00000
     11       9.7367      0.00000
     12      10.3862      0.00000
     13      14.5813      0.00000
     14      15.4484      0.00000
     15      20.4198      0.00000
     16      21.7587      0.00000

 k-point   224 :      -0.0625    0.4375    0.4375
  band No.  band energies     occupation 
      1       2.1377      1.00000
      2       2.3447      1.00000
      3       4.1626      1.00000
      4       4.2242      1.00000
      5       5.8065      0.83743
      6       5.8919      0.71073
      7       7.2100      0.00000
      8       7.3112      0.00000
      9       7.6889      0.00000
     10       8.0277      0.00000
     11       8.5077      0.00000
     12       8.9041      0.00000
     13      14.5538      0.00000
     14      15.3097      0.00000
     15      23.3109      0.00000
     16      24.0019      0.00000

 k-point   225 :       0.0625   -0.4375    0.4375
  band No.  band energies     occupation 
      1       2.1387      1.00000
      2       2.3437      1.00000
      3       4.1654      1.00000
      4       4.2214      1.00000
      5       5.8073      0.64092
      6       5.8907      0.52244
      7       7.2107      0.00000
      8       7.3102      0.00000
      9       7.6888      0.00000
     10       8.0282      0.00000
     11       8.5055      0.00000
     12       8.9066      0.00000
     13      14.5532      0.00000
     14      15.3101      0.00000
     15      23.3110      0.00000
     16      24.0023      0.00000

 k-point   226 :       0.1875   -0.4375    0.4375
  band No.  band energies     occupation 
      1       2.6036      1.00000
      2       2.7697      1.00000
      3       4.0585      1.00000
      4       4.0888      1.00000
      5       5.1148      1.07405
      6       5.1868      1.06174
      7       7.3519      0.00000
      8       7.4104      0.00000
      9       7.7007      0.00000
     10       7.7543      0.00000
     11       9.7355      0.00000
     12      10.3884      0.00000
     13      14.5807      0.00000
     14      15.4486      0.00000
     15      20.4198      0.00000
     16      21.7594      0.00000

 k-point   227 :       0.3125   -0.4375    0.4375
  band No.  band energies     occupation 
      1       3.3415      1.00000
      2       3.3880      1.00000
      3       3.9331      1.00000
      4       3.9714      1.00000
      5       4.4034      1.00000
      6       4.5339      1.00000
      7       7.5554      0.00000
      8       7.5807      0.00000
      9       7.7067      0.00000
     10       7.7146      0.00000
     11      11.2669      0.00000
     12      12.2454      0.00000
     13      14.6944      0.00000
     14      15.8976      0.00000
     15      17.7051      0.00000
     16      19.1890      0.00000

 k-point   228 :       0.4375   -0.4375    0.4375
  band No.  band energies     occupation 
      1       3.7126      1.00000
      2       3.9091      1.00000
      3       3.9119      1.00000
      4       3.9991      1.00000
      5       4.0936      1.00000
      6       4.0964      1.00000
      7       7.7117      0.00000
      8       7.7122      0.00000
      9       7.7192      0.00000
     10       7.7194      0.00000
     11      12.8396      0.00000
     12      14.3638      0.00000
     13      14.3656      0.00000
     14      16.3014      0.00000
     15      16.6939      0.00000
     16      16.6951      0.00000

 k-point   229 :      -0.4375   -0.4375    0.4375
  band No.  band energies     occupation 
      1       3.7101      1.00000
      2       3.9111      1.00000
      3       3.9124      1.00000
      4       3.9977      1.00000
      5       4.0952      1.00000
      6       4.0963      1.00000
      7       7.7124      0.00000
      8       7.7125      0.00000
      9       7.7188      0.00000
     10       7.7192      0.00000
     11      12.8384      0.00000
     12      14.3646      0.00000
     13      14.3654      0.00000
     14      16.3008      0.00000
     15      16.6947      0.00000
     16      16.6954      0.00000

 k-point   230 :      -0.3125   -0.4375    0.4375
  band No.  band energies     occupation 
      1       3.3411      1.00000
      2       3.3865      1.00000
      3       3.9333      1.00000
      4       3.9723      1.00000
      5       4.4048      1.00000
      6       4.5334      1.00000
      7       7.5559      0.00000
      8       7.5807      0.00000
      9       7.7076      0.00000
     10       7.7142      0.00000
     11      11.2655      0.00000
     12      12.2450      0.00000
     13      14.6947      0.00000
     14      15.8981      0.00000
     15      17.7049      0.00000
     16      19.1892      0.00000

 k-point   231 :      -0.1875   -0.4375    0.4375
  band No.  band energies     occupation 
      1       2.6034      1.00000
      2       2.7693      1.00000
      3       4.0587      1.00000
      4       4.0888      1.00000
      5       5.1161      1.00006
      6       5.1862      1.00127
      7       7.3524      0.00000
      8       7.4105      0.00000
      9       7.7005      0.00000
     10       7.7555      0.00000
     11       9.7341      0.00000
     12      10.3877      0.00000
     13      14.5808      0.00000
     14      15.4489      0.00000
     15      20.4195      0.00000
     16      21.7595      0.00000

 k-point   232 :      -0.0625   -0.4375    0.4375
  band No.  band energies     occupation 
      1       2.1387      1.00000
      2       2.3436      1.00000
      3       4.1655      1.00000
      4       4.2213      1.00000
      5       5.8069      0.83558
      6       5.8914      0.70569
      7       7.2109      0.00000
      8       7.3103      0.00000
      9       7.6888      0.00000
     10       8.0297      0.00000
     11       8.5047      0.00000
     12       8.9054      0.00000
     13      14.5532      0.00000
     14      15.3102      0.00000
     15      23.3107      0.00000
     16      24.0023      0.00000

 k-point   233 :       0.0625   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.8825      1.00000
      2       2.5766      1.00000
      3       4.3887      1.00000
      4       4.5441      1.00000
      5       4.9952      1.07528
      6       5.1446      1.06553
      7       6.9112      0.00000
      8       7.1092      0.00000
      9       7.7587      0.00000
     10       8.0940      0.00000
     11       8.1433      0.00000
     12       9.2701      0.00000
     13      15.4791      0.00000
     14      17.2646      0.00000
     15      22.3667      0.00000
     16      24.0274      0.00000

 k-point   234 :       0.1875   -0.3125    0.4375
  band No.  band energies     occupation 
      1       2.3612      1.00000
      2       2.9799      1.00000
      3       4.2191      1.00000
      4       4.2363      1.00000
      5       4.6585      1.00368
      6       4.7475      1.01682
      7       7.1298      0.00000
      8       7.2339      0.00000
      9       7.7007      0.00000
     10       7.7641      0.00000
     11       9.0573      0.00000
     12      10.3921      0.00000
     13      15.6408      0.00000
     14      17.5196      0.00000
     15      19.1413      0.00000
     16      21.0996      0.00000

 k-point   235 :       0.3125   -0.3125    0.4375
  band No.  band energies     occupation 
      1       3.0544      1.00000
      2       3.4073      1.00000
      3       4.0427      1.00000
      4       4.0524      1.00000
      5       4.2392      1.00000
      6       4.4386      1.00000
      7       7.4039      0.00000
      8       7.4572      0.00000
      9       7.6685      0.00000
     10       7.6892      0.00000
     11      10.1456      0.00000
     12      11.6615      0.00000
     13      15.6477      0.00000
     14      16.9335      0.00000
     15      17.8459      0.00000
     16      18.6360      0.00000

 k-point   236 :       0.4375   -0.3125    0.4375
  band No.  band energies     occupation 
      1       3.3405      1.00000
      2       3.3881      1.00000
      3       3.9307      1.00000
      4       3.9742      1.00000
      5       4.4060      1.00000
      6       4.5319      1.00000
      7       7.5550      0.00000
      8       7.5814      0.00000
      9       7.7069      0.00000
     10       7.7145      0.00000
     11      11.2673      0.00000
     12      12.2437      0.00000
     13      14.6953      0.00000
     14      15.8978      0.00000
     15      17.7052      0.00000
     16      19.1882      0.00000

 k-point   237 :      -0.4375   -0.3125    0.4375
  band No.  band energies     occupation 
      1       3.3412      1.00000
      2       3.3865      1.00000
      3       3.9331      1.00000
      4       3.9724      1.00000
      5       4.4049      1.00000
      6       4.5332      1.00000
      7       7.5560      0.00000
      8       7.5807      0.00000
      9       7.7076      0.00000
     10       7.7143      0.00000
     11      11.2655      0.00000
     12      12.2448      0.00000
     13      14.6948      0.00000
     14      15.8982      0.00000
     15      17.7049      0.00000
     16      19.1891      0.00000

 k-point   238 :      -0.3125   -0.3125    0.4375
  band No.  band energies     occupation 
      1       3.0542      1.00000
      2       3.4052      1.00000
      3       4.0440      1.00000
      4       4.0528      1.00000
      5       4.2402      1.00000
      6       4.4380      1.00000
      7       7.4048      0.00000
      8       7.4569      0.00000
      9       7.6700      0.00000
     10       7.6890      0.00000
     11      10.1434      0.00000
     12      11.6615      0.00000
     13      15.6478      0.00000
     14      16.9331      0.00000
     15      17.8464      0.00000
     16      18.6360      0.00000

 k-point   239 :      -0.1875   -0.3125    0.4375
  band No.  band energies     occupation 
      1       2.3610      1.00000
      2       2.9792      1.00000
      3       4.2193      1.00000
      4       4.2362      1.00000
      5       4.6603      1.00000
      6       4.7463      1.00000
      7       7.1307      0.00000
      8       7.2339      0.00000
      9       7.7006      0.00000
     10       7.7659      0.00000
     11       9.0551      0.00000
     12      10.3915      0.00000
     13      15.6408      0.00000
     14      17.5198      0.00000
     15      19.1409      0.00000
     16      21.0997      0.00000

 k-point   240 :      -0.0625   -0.3125    0.4375
  band No.  band energies     occupation 
      1       1.8825      1.00000
      2       2.5764      1.00000
      3       4.3887      1.00000
      4       4.5439      1.00000
      5       4.9947      1.00323
      6       5.1455      1.01320
      7       6.9116      0.00000
      8       7.1094      0.00000
      9       7.7590      0.00000
     10       8.0954      0.00000
     11       8.1417      0.00000
     12       9.2692      0.00000
     13      15.4791      0.00000
     14      17.2647      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point   241 :       0.0625   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4562      1.00000
      2       2.6398      1.00000
      3       4.4237      1.00000
      4       4.7686      1.00000
      5       4.9614      1.00000
      6       5.1680      1.02475
      7       6.5141      0.00000
      8       6.6061      0.00000
      9       7.3627      0.00000
     10       7.7402      0.00000
     11       8.0702      0.00000
     12       9.1143      0.00000
     13      17.9331      0.00000
     14      20.0275      0.00000
     15      21.5850      0.00000
     16      23.7114      0.00000

 k-point   242 :       0.1875   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.8647      1.00000
      2       2.9346      1.00000
      3       4.1781      1.00000
      4       4.4289      1.00000
      5       4.7414      1.00000
      6       4.9060      1.00000
      7       6.8011      0.00000
      8       6.8680      0.00000
      9       7.6586      0.00000
     10       7.7118      0.00000
     11       8.4013      0.00000
     12       9.7488      0.00000
     13      17.9581      0.00000
     14      18.6460      0.00000
     15      20.0136      0.00000
     16      20.7557      0.00000

 k-point   243 :       0.3125   -0.1875    0.4375
  band No.  band energies     occupation 
      1       2.3606      1.00000
      2       2.9806      1.00000
      3       4.2166      1.00000
      4       4.2377      1.00000
      5       4.6607      1.00006
      6       4.7465      1.00139
      7       7.1296      0.00000
      8       7.2345      0.00000
      9       7.7006      0.00000
     10       7.7637      0.00000
     11       9.0578      0.00000
     12      10.3914      0.00000
     13      15.6412      0.00000
     14      17.5194      0.00000
     15      19.1411      0.00000
     16      21.0997      0.00000

 k-point   244 :       0.4375   -0.1875    0.4375
  band No.  band energies     occupation 
      1       2.6026      1.00000
      2       2.7706      1.00000
      3       4.0559      1.00000
      4       4.0913      1.00000
      5       5.1170      1.00292
      6       5.1852      1.01226
      7       7.3514      0.00000
      8       7.4114      0.00000
      9       7.7007      0.00000
     10       7.7543      0.00000
     11       9.7364      0.00000
     12      10.3863      0.00000
     13      14.5814      0.00000
     14      15.4485      0.00000
     15      20.4197      0.00000
     16      21.7588      0.00000

 k-point   245 :      -0.4375   -0.1875    0.4375
  band No.  band energies     occupation 
      1       2.6035      1.00000
      2       2.7694      1.00000
      3       4.0584      1.00000
      4       4.0888      1.00000
      5       5.1162      1.00006
      6       5.1861      1.00127
      7       7.3525      0.00000
      8       7.4105      0.00000
      9       7.7005      0.00000
     10       7.7555      0.00000
     11       9.7342      0.00000
     12      10.3875      0.00000
     13      14.5809      0.00000
     14      15.4490      0.00000
     15      20.4195      0.00000
     16      21.7594      0.00000

 k-point   246 :      -0.3125   -0.1875    0.4375
  band No.  band energies     occupation 
      1       2.3611      1.00000
      2       2.9792      1.00000
      3       4.2190      1.00000
      4       4.2362      1.00000
      5       4.6606      1.00000
      6       4.7463      1.00000
      7       7.1308      0.00000
      8       7.2339      0.00000
      9       7.7007      0.00000
     10       7.7658      0.00000
     11       9.0551      0.00000
     12      10.3915      0.00000
     13      15.6409      0.00000
     14      17.5198      0.00000
     15      19.1409      0.00000
     16      21.0997      0.00000

 k-point   247 :      -0.1875   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.8648      1.00000
      2       2.9338      1.00000
      3       4.1781      1.00000
      4       4.4301      1.00000
      5       4.7425      1.00000
      6       4.9039      1.03086
      7       6.8025      0.00000
      8       6.8678      0.00000
      9       7.6584      0.00000
     10       7.7141      0.00000
     11       8.3990      0.00000
     12       9.7483      0.00000
     13      17.9582      0.00000
     14      18.6455      0.00000
     15      20.0141      0.00000
     16      20.7555      0.00000

 k-point   248 :      -0.0625   -0.1875    0.4375
  band No.  band energies     occupation 
      1       1.4562      1.00000
      2       2.6396      1.00000
      3       4.4236      1.00000
      4       4.7691      1.00000
      5       4.9619      1.00000
      6       5.1668      1.04051
      7       6.5148      0.00000
      8       6.6063      0.00000
      9       7.3618      0.00000
     10       7.7415      0.00000
     11       8.0696      0.00000
     12       9.1138      0.00000
     13      17.9331      0.00000
     14      20.0275      0.00000
     15      21.5846      0.00000
     16      23.7115      0.00000

 k-point   249 :       0.0625   -0.0625    0.4375
  band No.  band energies     occupation 
      1       1.1002      1.00000
      2       2.4667      1.00000
      3       4.4948      1.00000
      4       5.1204      1.00000
      5       5.4094      1.00000
      6       5.7547      0.83265
      7       6.0207      0.00000
      8       6.1584      0.00000
      9       6.7614      0.00000
     10       7.2585      0.00000
     11       8.1037      0.00000
     12       8.8592      0.00000
     13      20.9522      0.00000
     14      21.3091      0.00000
     15      22.9752      0.00000
     16      23.8001      0.00000

 k-point   250 :       0.1875   -0.0625    0.4375
  band No.  band energies     occupation 
      1       1.4559      1.00000
      2       2.6403      1.00000
      3       4.4237      1.00000
      4       4.7669      1.00000
      5       4.9612      1.00000
      6       5.1697      1.00000
      7       6.5136      0.00000
      8       6.6070      0.00000
      9       7.3639      0.00000
     10       7.7384      0.00000
     11       8.0703      0.00000
     12       9.1142      0.00000
     13      17.9335      0.00000
     14      20.0272      0.00000
     15      21.5846      0.00000
     16      23.7116      0.00000

 k-point   251 :       0.3125   -0.0625    0.4375
  band No.  band energies     occupation 
      1       1.8818      1.00000
      2       2.5776      1.00000
      3       4.3859      1.00000
      4       4.5463      1.00000
      5       4.9948      1.00281
      6       5.1457      1.01235
      7       6.9106      0.00000
      8       7.1102      0.00000
      9       7.7590      0.00000
     10       8.0921      0.00000
     11       8.1447      0.00000
     12       9.2694      0.00000
     13      15.4796      0.00000
     14      17.2643      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point   252 :       0.4375   -0.0625    0.4375
  band No.  band energies     occupation 
      1       2.1377      1.00000
      2       2.3448      1.00000
      3       4.1627      1.00000
      4       4.2239      1.00000
      5       5.8065      0.83737
      6       5.8919      0.71074
      7       7.2100      0.00000
      8       7.3113      0.00000
      9       7.6889      0.00000
     10       8.0277      0.00000
     11       8.5074      0.00000
     12       8.9042      0.00000
     13      14.5539      0.00000
     14      15.3098      0.00000
     15      23.3109      0.00000
     16      24.0019      0.00000

 k-point   253 :      -0.4375   -0.0625    0.4375
  band No.  band energies     occupation 
      1       2.1387      1.00000
      2       2.3436      1.00000
      3       4.1652      1.00000
      4       4.2213      1.00000
      5       5.8069      0.83559
      6       5.8915      0.70558
      7       7.2110      0.00000
      8       7.3103      0.00000
      9       7.6888      0.00000
     10       8.0296      0.00000
     11       8.5047      0.00000
     12       8.9053      0.00000
     13      14.5533      0.00000
     14      15.3103      0.00000
     15      23.3107      0.00000
     16      24.0023      0.00000

 k-point   254 :      -0.3125   -0.0625    0.4375
  band No.  band energies     occupation 
      1       1.8825      1.00000
      2       2.5765      1.00000
      3       4.3884      1.00000
      4       4.5440      1.00000
      5       4.9947      1.00323
      6       5.1456      1.01320
      7       6.9117      0.00000
      8       7.1094      0.00000
      9       7.7591      0.00000
     10       8.0951      0.00000
     11       8.1417      0.00000
     12       9.2692      0.00000
     13      15.4792      0.00000
     14      17.2647      0.00000
     15      22.3663      0.00000
     16      24.0275      0.00000

 k-point   255 :      -0.1875   -0.0625    0.4375
  band No.  band energies     occupation 
      1       1.4563      1.00000
      2       2.6396      1.00000
      3       4.4237      1.00000
      4       4.7689      1.00000
      5       4.9620      1.00000
      6       5.1669      1.04050
      7       6.5149      0.00000
      8       6.6064      0.00000
      9       7.3619      0.00000
     10       7.7413      0.00000
     11       8.0696      0.00000
     12       9.1138      0.00000
     13      17.9332      0.00000
     14      20.0276      0.00000
     15      21.5846      0.00000
     16      23.7114      0.00000

 k-point   256 :      -0.0625   -0.0625    0.4375
  band No.  band energies     occupation 
      1       1.1003      1.00000
      2       2.4665      1.00000
      3       4.4946      1.00000
      4       5.1215      1.00000
      5       5.4099      1.00000
      6       5.7522      0.69888
      7       6.0207      0.00000
      8       6.1598      0.00000
      9       6.7597      0.00000
     10       7.2601      0.00000
     11       8.1036      0.00000
     12       8.8590      0.00000
     13      20.9526      0.00000
     14      21.3084      0.00000
     15      22.9756      0.00000
     16      23.7997      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x     7.7056    0.0000    0.0000    0.0000   -0.3169    0.0000   -0.0000   -0.0000   -0.0034    0.0000
x    -0.0000   -0.0000    0.0024    0.0000   -0.0000   -0.0000   -0.0000    0.0000    0.0000    0.0000
x     0.0000   -0.0000   -0.0000    0.0000    0.0000    0.0000
y     7.7056    0.0000    0.0000   -0.0000   -0.3169    0.0000   -0.0000    0.0000   -0.0034   -0.0000
y    -0.0000    0.0000    0.0024    0.0000   -0.0000   -0.0000   -0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000   -0.0000   -0.0000    0.0000    0.0000
z     7.7056    0.0000    0.0000   -0.0000   -0.3168    0.0000   -0.0000    0.0000   -0.0034   -0.0000
z    -0.0000   -0.0000    0.0024    0.0000   -0.0000    0.0000   -0.0000    0.0000    0.0000   -0.0000
z     0.0000   -0.0000    0.0000   -0.0000    0.0000    0.0000
 total charge-density along one line
x    16.0000    0.0000    0.0000   -0.0000    3.2146    0.0000    0.0000   -0.0000    0.0204   -0.0000
x     0.0000   -0.0000    0.0052    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000    0.0000
x    -0.0002    0.0000   -0.0000   -0.0000    0.0002    0.0000   -0.0000    0.0000   -0.0000   -0.0000
x     0.0000    0.0000   -0.0000   -0.0000    0.0000   -0.0000    0.0000    0.0000   -0.0000   -0.0000
x     0.0000   -0.0000    0.0000    0.0000   -0.0000    0.0000    0.0000    0.0000   -0.0000    0.0000
y    16.0000    0.0000    0.0000   -0.0000    3.2146    0.0000    0.0000    0.0000    0.0204    0.0000
y     0.0000    0.0000    0.0052    0.0000   -0.0000   -0.0000   -0.0015    0.0000    0.0000    0.0000
y    -0.0002   -0.0000   -0.0000    0.0000    0.0002   -0.0000   -0.0000   -0.0000   -0.0000    0.0000
y     0.0000   -0.0000   -0.0000   -0.0000    0.0000    0.0000    0.0000   -0.0000   -0.0000    0.0000
y     0.0000    0.0000    0.0000   -0.0000   -0.0000    0.0000    0.0000   -0.0000   -0.0000    0.0000
z    16.0000    0.0000    0.0000    0.0000    3.2148    0.0000    0.0000    0.0000    0.0205    0.0000
z     0.0000   -0.0000    0.0052    0.0000    0.0000    0.0000   -0.0015    0.0000    0.0000   -0.0000
z    -0.0002    0.0000   -0.0000   -0.0000    0.0002    0.0000   -0.0000    0.0000   -0.0000   -0.0000
z     0.0000    0.0000   -0.0000    0.0000    0.0000   -0.0000    0.0000    0.0000   -0.0000   -0.0000
z     0.0000   -0.0000   -0.0000    0.0000   -0.0000   -0.0000    0.0000    0.0000   -0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.7488    0.0000   -0.0000    0.0000    0.0065   -0.0000    0.0000   -0.0000    0.0291    0.0000
x     0.0000   -0.0000    0.0016    0.0000   -0.0000   -0.0000   -0.0000    0.0000   -0.0000    0.0000
x     0.0000   -0.0000    0.0000    0.0000    0.0000    0.0000
y     0.7488    0.0000   -0.0000   -0.0000    0.0065    0.0000    0.0000    0.0000    0.0291   -0.0000
y     0.0000    0.0000    0.0016    0.0000    0.0000   -0.0000   -0.0000    0.0000   -0.0000    0.0000
y     0.0000    0.0000   -0.0000   -0.0000    0.0000    0.0000
z     0.7488    0.0000   -0.0000    0.0000    0.0068   -0.0000    0.0000    0.0000    0.0291   -0.0000
z     0.0000   -0.0000    0.0016   -0.0000    0.0000    0.0000   -0.0000   -0.0000   -0.0000   -0.0000
z     0.0000   -0.0000   -0.0000   -0.0000    0.0000    0.0000
 total charge-density along one line
x     4.3352    0.0000   -0.0000   -0.0000    1.5617   -0.0000   -0.0000   -0.0000    0.1352    0.0000
x    -0.0000   -0.0000    0.0178    0.0000   -0.0000   -0.0000   -0.0011    0.0000    0.0000    0.0000
x    -0.0003   -0.0000    0.0000   -0.0000    0.0002   -0.0000   -0.0000    0.0000    0.0000    0.0000
x    -0.0000    0.0000   -0.0000   -0.0000    0.0000   -0.0000    0.0000   -0.0000    0.0000   -0.0000
x     0.0000    0.0000   -0.0000    0.0000   -0.0000    0.0000   -0.0000    0.0000   -0.0000    0.0000
y     4.3352    0.0000   -0.0000   -0.0000    1.5619    0.0000   -0.0000    0.0000    0.1353   -0.0000
y    -0.0000    0.0000    0.0178    0.0000   -0.0000   -0.0000   -0.0011   -0.0000   -0.0000    0.0000
y    -0.0003    0.0000    0.0000    0.0000    0.0002    0.0000    0.0000   -0.0000    0.0000   -0.0000
y    -0.0000   -0.0000   -0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0000   -0.0000   -0.0000   -0.0000   -0.0000   -0.0000   -0.0000   -0.0000    0.0000
z     4.3352    0.0000   -0.0000    0.0000    1.5624    0.0000   -0.0000    0.0000    0.1356   -0.0000
z    -0.0000   -0.0000    0.0178   -0.0000   -0.0000    0.0000   -0.0011   -0.0000   -0.0000   -0.0000
z    -0.0003    0.0000    0.0000   -0.0000    0.0002    0.0000    0.0000    0.0000    0.0000   -0.0000
z    -0.0000    0.0000   -0.0000   -0.0000    0.0000   -0.0000    0.0000    0.0000    0.0000   -0.0000
z     0.0000   -0.0000   -0.0000    0.0000   -0.0000   -0.0000   -0.0000    0.0000   -0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
 -5.621  -0.001  -0.000  -0.001   0.000  -6.151  -0.001  -0.000
 -0.001  -5.621  -0.000   0.001   0.000  -0.001  -6.150  -0.000
 -0.000  -0.000  -5.793  -0.000  -0.000  -0.000  -0.000  -6.318
 -0.001   0.001  -0.000  -5.621  -0.000  -0.001   0.001  -0.000
  0.000   0.000  -0.000  -0.000  -5.793   0.000   0.000  -0.000
 -6.151  -0.001  -0.000  -0.001   0.000  -6.638  -0.001  -0.000
 -0.001  -6.150  -0.000   0.001   0.000  -0.001  -6.638  -0.000
 -0.000  -0.000  -6.318  -0.000  -0.000  -0.000  -0.000  -6.801
 -0.001   0.001  -0.000  -6.151  -0.000  -0.001   0.001  -0.000
  0.000   0.000  -0.000  -0.000  -6.318   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000
 pseudopotential strength for first ion, spin component:           2
 -4.163   0.001  -0.001   0.001  -0.000  -4.739   0.001  -0.001
  0.001  -4.164  -0.000  -0.000   0.000   0.001  -4.740  -0.000
 -0.001  -0.000  -3.934  -0.000  -0.000  -0.001  -0.000  -4.515
  0.001  -0.000  -0.000  -4.164  -0.000   0.001  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -3.934  -0.000   0.000  -0.000
 -4.739   0.001  -0.001   0.001  -0.000  -5.272   0.001  -0.001
  0.001  -4.740  -0.000  -0.000   0.000   0.001  -5.272  -0.000
 -0.001  -0.000  -4.515  -0.000  -0.000  -0.001  -0.000  -5.052
  0.001  -0.000  -0.000  -4.740  -0.000   0.001  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -4.514  -0.000   0.000  -0.000
 -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
 -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 total augmentation occupancy for first ion, spin component:           1
  2.238   0.005  -0.001   0.006  -0.000  -1.243  -0.004   0.001  -0.005   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.005   2.234  -0.001  -0.002   0.001  -0.004  -1.240   0.001   0.002  -0.001   0.001   0.000  -0.000   0.000  -0.000   0.000
 -0.001  -0.001   3.622  -0.001   0.000   0.001   0.001  -2.345   0.001   0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.006  -0.002  -0.001   2.235  -0.001  -0.005   0.002   0.001  -1.241   0.001   0.001   0.000   0.000   0.000   0.000  -0.000
 -0.000   0.001   0.000  -0.001   3.622   0.000  -0.001   0.000   0.001  -2.345   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -1.243  -0.004   0.001  -0.005   0.000   1.640   0.003  -0.001   0.003  -0.000   0.001   0.000   0.000  -0.000   0.000  -0.000
 -0.004  -1.240   0.001   0.002  -0.001   0.003   1.638  -0.001  -0.001   0.001  -0.001  -0.000   0.000  -0.000  -0.000  -0.000
  0.001   0.001  -2.345   0.001   0.000  -0.001  -0.001   2.333  -0.001  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000
 -0.005   0.002   0.001  -1.241   0.001   0.003  -0.001  -0.001   1.638  -0.001  -0.001  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.001   0.000   0.001  -2.345  -0.000   0.001  -0.000  -0.001   2.333  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.001  -0.000   0.001   0.000   0.001  -0.001   0.000  -0.001  -0.000   2.418  -0.281   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.281   0.038   0.000  -0.000  -0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.295   0.000  -0.000  -0.026
  0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.295   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.295  -0.000
  0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.026   0.000  -0.000   0.002
 -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.026   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.026   0.000
 total augmentation occupancy for first ion, spin component:           2
  1.855   0.007  -0.001   0.008  -0.000  -0.759  -0.004   0.001  -0.005   0.000  -0.001  -0.000  -0.000   0.000  -0.000   0.000
  0.007   1.850  -0.001  -0.003   0.001  -0.004  -0.756   0.001   0.002  -0.001   0.001   0.000  -0.000  -0.000  -0.000   0.000
 -0.001  -0.001   3.076  -0.001   0.000   0.001   0.001  -1.372   0.001  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.008  -0.003  -0.001   1.851  -0.001  -0.005   0.002   0.001  -0.757   0.001   0.001   0.000   0.000   0.000   0.000  -0.000
 -0.000   0.001   0.000  -0.001   3.076   0.000  -0.001  -0.000   0.001  -1.372  -0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.759  -0.004   0.001  -0.005   0.000   0.058   0.003  -0.001   0.003  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.004  -0.756   0.001   0.002  -0.001   0.003   0.056  -0.000  -0.002   0.001  -0.000  -0.000  -0.000   0.000   0.000  -0.000
  0.001   0.001  -1.372   0.001  -0.000  -0.001  -0.000   0.383  -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.005   0.002   0.001  -0.757   0.001   0.003  -0.002  -0.000   0.057  -0.001  -0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.001  -0.000   0.001  -1.372  -0.000   0.001   0.000  -0.001   0.383   0.000   0.000   0.000   0.000   0.000  -0.000
 -0.001   0.001   0.000   0.001  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.332   0.100   0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.100  -0.017  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000  -0.039   0.000  -0.000   0.006
  0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.039   0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.039  -0.000
  0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.006   0.000  -0.000  -0.001
 -0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000   0.006   0.000  -0.000
  0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.006   0.000


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


    CHARGE:  cpu time    0.7899: real time    0.7919
    FORLOC:  cpu time    0.0015: real time    0.0015
    FORNL :  cpu time    0.7176: real time    0.7193
    STRESS:  cpu time    0.9994: real time    1.0019
    FORCOR:  cpu time    0.0739: real time    0.0741
    FORHAR:  cpu time    0.0068: real time    0.0068
    MIXING:  cpu time    0.0023: real time    0.0023
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   121.74415   121.74415   121.74415
  Ewald    -394.78973  -394.78973  -394.78973    -0.00000    -0.00000    -0.00000
  Hartree    63.26329    63.26278    63.26109     0.00972    -0.00597    -0.00687
  E(xc)     -79.41186   -79.41186   -79.41186    -0.00142     0.00113     0.00120
  Local     117.89362   117.89515   117.90025    -0.02500     0.01496     0.01737
  n-local   -51.77719   -51.77656   -51.77452    -0.01283     0.01234     0.01243
  augment    77.44276    77.44190    77.43902     0.01093    -0.00601    -0.00714
  Kinetic   145.56189   145.56164   145.56083     0.00805     0.00186    -0.00045
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.07306    -0.07252    -0.07076    -0.01054     0.01832     0.01654
  in kB      -5.15501    -5.11684    -4.99285    -0.74377     1.29257     1.16699
  external pressure =       -5.09 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :       22.71
      direct lattice vectors                 reciprocal lattice vectors
     2.831775588  0.000000000  0.000000000     0.353135328  0.000000000  0.000000000
     0.000000000  2.831775588  0.000000000     0.000000000  0.353135328  0.000000000
     0.000000000  0.000000000  2.831775588     0.000000000  0.000000000  0.353135328

  length of vectors
     2.831775588  2.831775588  2.831775588     0.353135328  0.353135328  0.353135328


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.204E-07 -.153E-07 -.306E-08   0.712E-14 0.738E-14 0.496E-15   0.420E-07 0.228E-07 -.443E-08   -.100E-07 -.727E-08 0.633E-08
   0.994E-08 0.184E-08 -.749E-08   -.818E-14 -.761E-14 -.166E-14   -.258E-07 -.413E-09 0.424E-07   0.499E-08 -.333E-08 -.245E-07
 -----------------------------------------------------------------------------------------------
   -.105E-07 -.135E-07 -.105E-07   -.106E-14 -.236E-15 -.116E-14   0.162E-07 0.224E-07 0.380E-07   -.504E-08 -.106E-07 -.182E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.41589      1.41589      1.41589         0.000000      0.000000     -0.000000
      0.00000      0.00000      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  =       -16.47594574 eV

  energy  without entropy=      -16.47594574  energy(sigma->0) =      -16.47594574
 


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


    POTLOK:  cpu time    0.0901: real time    0.0904


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


 writing wavefunctions
     LOOP+:  cpu time  265.1664: real time  266.1642
    4ORBIT:  cpu time    0.0000: real time    0.0000
 BZINTS: Fermi energy:  5.783338; 16.000000 electrons
         Band energy:  56.866285;  BLOECHL correction: -0.050827

 total amount of memory used by VASP MPI-rank0   142889. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      21694. kBytes
   grid      :       9345. kBytes
   one-center:         62. kBytes
   wavefun   :      81788. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      266.002
                            User time (sec):      265.645
                          System time (sec):        0.357
                         Elapsed time (sec):      267.300
  
                   Maximum memory used (kb):      172088.
                   Average memory used (kb):           0.
  
                          Minor page faults:        87033
                          Major page faults:            1
                 Voluntary context switches:          954
