 vasp.6.3.2 27Jun22 (build Jan 30 2023 11:23:05) complex                        
  
 executed on             LinuxIFC date 2023.02.13  13:59:37
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   4 cores,    4 groups


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


 INCAR:
   SYSTEM = Cu Bulk, HSE06-1/2x vdW-DF2, single pont
   GGA = PE
   LHFCALC = .TRUE.
   HFSCREEN = 0.2
   AEXX = 0.5
   AGGAC = 0.0
   LUSE_VDW = .TRUE.
   ZAB_VDW = -1.8667
   LASPH = .TRUE.
   PREC = Accurate
   ALGO = Damped
   TIME = 0.2
   ENCUT = 400
   NELM = 100
   NELMIN = 2
   ICHARGE = 1
   ISTART = 1
   ISPIN = 2
   ISYM = 0
   IBRION = -1
   ISMEAR = 1
   SIGMA = 0.2
   NSW = 0
   EDIFF = 1.E-5
   LCHARGE = .TRUE.
   LWAVE = .TRUE.
   NPAR = 4
   DEFAULT = Nr_Cores
   OPTIMUM = sqrt(Nr_Cores) and int multpl of Nr_Cores
   KPAR = 1
   LPLANE = .TRUE.
   NSIM = 4

 POTCAR:    PAW_PBE Al 04Jan2001                  
 -----------------------------------------------------------------------------
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|     You use a magnetic or noncollinear calculation, but did not specify     |
|     the initial magnetic moment with the MAGMOM tag. Note that a            |
|     default of 1 will be used for all atoms. This ferromagnetic setup       |
|     may break the symmetry of the crystal, in particular it may rule        |
|     out finding an antiferromagnetic solution. Thence, we recommend         |
|     setting the initial magnetic moment manually or verifying carefully     |
|     that this magnetic setup is desired.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have switched on vdW-DFT.                                           |
|     This routine was written and supplied by Jiri Klimes. We recommend      |
|     that you carefully read and cite the following publications:            |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          J. Phys.: Cond Matt. 22 022201 (2010)                              |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          Phys. Rev. B. 83, 195131 (2011)                                    |
|     and references therein.                                                 |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:    PAW_PBE Al 04Jan2001                  
   VRHFIN =Al: s2p1                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =    53.5387 eV,    3.9350 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Al 04Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   26.981; ZVAL   =    3.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)                               
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  291.052                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.939    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.966    radius for radial grids                                                     
   RDEPT  =    1.856    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1511.1048   2.0000                                                             
     2  0  0.50      -108.1629   2.0000                                                             
     2  1  1.50       -69.6402   6.0000                                                             
     3  0  0.50        -7.7528   2.0000                                                             
     3  1  1.50        -2.7121   1.0000                                                             
     3  2  2.50        -2.7212   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -7.7528455     23  1.900                                                                 
     0     -3.3096929     23  1.900                                                                 
     1     -2.7120682     23  1.900                                                                 
     1     13.6058260     23  1.900                                                                 
     2     -2.7211652      7  1.900                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE Al 04Jan2001                  :
 energy of atom  1       EATOM=  -53.5387
 kinetic energy error for atom=    0.0005 (will be added to EATOM!!)
 
 
 POSCAR: Al
  positions in cartesian coordinates
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-
 

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


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

                                     Primitive cell                                     

  volume of cell :      15.6033

  direct lattice vectors                    reciprocal lattice vectors
     0.000000000  1.983333333  1.983333333    -0.252100840  0.252100840  0.252100840
     1.983333333  0.000000000  1.983333333     0.252100840 -0.252100840  0.252100840
     1.983333333  1.983333333  0.000000000     0.252100840  0.252100840 -0.252100840

  length of vectors
     2.804856899  2.804856899  2.804856899     0.436651464  0.436651464  0.436651464

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000

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

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

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   11   11   11

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
    -0.022918258  0.022918258  0.022918258     0.090909091  0.000000000  0.000000000
     0.022918258 -0.022918258  0.022918258     0.000000000  0.090909091  0.000000000
     0.022918258  0.022918258 -0.022918258     0.000000000  0.000000000  0.090909091

  Length of vectors
     0.039695588  0.039695588  0.039695588

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    666 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909  0.000000  0.000000      2.000000
  0.000000  0.090909  0.000000      2.000000
  0.000000  0.000000  0.090909      2.000000
  0.090909  0.090909  0.090909      2.000000
  0.181818  0.000000  0.000000      2.000000
  0.000000  0.181818  0.000000      2.000000
  0.000000  0.000000  0.181818      2.000000
  0.181818  0.181818  0.181818      2.000000
  0.272727  0.000000  0.000000      2.000000
  0.000000  0.272727  0.000000      2.000000
  0.000000  0.000000  0.272727      2.000000
  0.272727  0.272727  0.272727      2.000000
  0.363636  0.000000  0.000000      2.000000
  0.000000  0.363636  0.000000      2.000000
  0.000000  0.000000  0.363636      2.000000
  0.363636  0.363636  0.363636      2.000000
  0.454545  0.000000  0.000000      2.000000
  0.000000  0.454545  0.000000      2.000000
  0.000000  0.000000  0.454545      2.000000
  0.454545  0.454545  0.454545      2.000000
  0.090909  0.090909  0.000000      2.000000
  0.000000  0.090909  0.090909      2.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818  0.090909  0.000000      2.000000
  0.000000  0.181818  0.090909      2.000000
  0.090909  0.000000  0.181818      2.000000
  0.090909  0.090909 -0.090909      2.000000
  0.181818  0.090909  0.181818      2.000000
  0.090909  0.181818  0.000000      2.000000
  0.090909 -0.090909 -0.090909      2.000000
  0.181818  0.181818  0.090909      2.000000
  0.000000  0.090909  0.181818      2.000000
 -0.090909  0.090909 -0.090909      2.000000
  0.090909  0.181818  0.181818      2.000000
  0.181818  0.000000  0.090909      2.000000
  0.272727  0.090909  0.000000      2.000000
  0.000000  0.272727  0.090909      2.000000
  0.090909  0.000000  0.272727      2.000000
  0.090909  0.090909 -0.181818      2.000000
  0.272727  0.181818  0.272727      2.000000
  0.090909  0.272727  0.000000      2.000000
  0.181818 -0.090909 -0.090909      2.000000
  0.272727  0.272727  0.181818      2.000000
  0.000000  0.090909  0.272727      2.000000
 -0.090909  0.181818 -0.090909      2.000000
  0.181818  0.272727  0.272727      2.000000
  0.272727  0.000000  0.090909      2.000000
  0.363636  0.090909  0.000000      2.000000
  0.000000  0.363636  0.090909      2.000000
  0.090909  0.000000  0.363636      2.000000
  0.090909  0.090909 -0.272727      2.000000
  0.363636  0.272727  0.363636      2.000000
  0.090909  0.363636  0.000000      2.000000
  0.272727 -0.090909 -0.090909      2.000000
  0.363636  0.363636  0.272727      2.000000
  0.000000  0.090909  0.363636      2.000000
 -0.090909  0.272727 -0.090909      2.000000
  0.272727  0.363636  0.363636      2.000000
  0.363636  0.000000  0.090909      2.000000
  0.454545  0.090909  0.000000      2.000000
  0.000000  0.454545  0.090909      2.000000
  0.090909  0.000000  0.454545      2.000000
  0.090909  0.090909 -0.363636      2.000000
  0.454545  0.363636  0.454545      2.000000
  0.090909  0.454545  0.000000      2.000000
  0.363636 -0.090909 -0.090909      2.000000
  0.454545  0.454545  0.363636      2.000000
  0.000000  0.090909  0.454545      2.000000
 -0.090909  0.363636 -0.090909      2.000000
  0.363636  0.454545  0.454545      2.000000
  0.454545  0.000000  0.090909      2.000000
 -0.454545  0.090909  0.000000      2.000000
  0.000000 -0.454545  0.090909      2.000000
  0.090909  0.000000 -0.454545      2.000000
  0.090909  0.090909 -0.454545      2.000000
 -0.454545  0.454545 -0.454545      2.000000
  0.090909 -0.454545  0.000000      2.000000
  0.454545 -0.090909 -0.090909      2.000000
 -0.454545 -0.454545  0.454545      2.000000
  0.000000  0.090909 -0.454545      2.000000
 -0.090909  0.454545 -0.090909      2.000000
  0.454545 -0.454545 -0.454545      2.000000
 -0.454545  0.000000  0.090909      2.000000
 -0.363636  0.090909  0.000000      2.000000
  0.000000 -0.363636  0.090909      2.000000
  0.090909  0.000000 -0.363636      2.000000
  0.090909  0.090909  0.454545      2.000000
 -0.363636 -0.454545 -0.363636      2.000000
  0.090909 -0.363636  0.000000      2.000000
 -0.454545 -0.090909 -0.090909      2.000000
 -0.363636 -0.363636 -0.454545      2.000000
  0.000000  0.090909 -0.363636      2.000000
 -0.090909 -0.454545 -0.090909      2.000000
 -0.454545 -0.363636 -0.363636      2.000000
 -0.363636  0.000000  0.090909      2.000000
 -0.272727  0.090909  0.000000      2.000000
  0.000000 -0.272727  0.090909      2.000000
  0.090909  0.000000 -0.272727      2.000000
  0.090909  0.090909  0.363636      2.000000
 -0.272727 -0.363636 -0.272727      2.000000
  0.090909 -0.272727  0.000000      2.000000
 -0.363636 -0.090909 -0.090909      2.000000
 -0.272727 -0.272727 -0.363636      2.000000
  0.000000  0.090909 -0.272727      2.000000
 -0.090909 -0.363636 -0.090909      2.000000
 -0.363636 -0.272727 -0.272727      2.000000
 -0.272727  0.000000  0.090909      2.000000
 -0.181818  0.090909  0.000000      2.000000
  0.000000 -0.181818  0.090909      2.000000
  0.090909  0.000000 -0.181818      2.000000
  0.090909  0.090909  0.272727      2.000000
 -0.181818 -0.272727 -0.181818      2.000000
  0.090909 -0.181818  0.000000      2.000000
 -0.272727 -0.090909 -0.090909      2.000000
 -0.181818 -0.181818 -0.272727      2.000000
  0.000000  0.090909 -0.181818      2.000000
 -0.090909 -0.272727 -0.090909      2.000000
 -0.272727 -0.181818 -0.181818      2.000000
 -0.181818  0.000000  0.090909      2.000000
 -0.090909  0.090909  0.000000      2.000000
  0.000000 -0.090909  0.090909      2.000000
  0.090909  0.000000 -0.090909      2.000000
  0.090909  0.090909  0.181818      2.000000
 -0.090909 -0.181818 -0.090909      2.000000
 -0.181818 -0.090909 -0.090909      2.000000
  0.181818  0.181818  0.000000      2.000000
  0.000000  0.181818  0.181818      2.000000
  0.181818  0.000000  0.181818      2.000000
  0.272727  0.181818  0.000000      2.000000
  0.000000  0.272727  0.181818      2.000000
  0.181818  0.000000  0.272727      2.000000
  0.181818  0.181818 -0.090909      2.000000
  0.272727  0.090909  0.272727      2.000000
  0.181818  0.272727  0.000000      2.000000
  0.090909 -0.181818 -0.181818      2.000000
  0.272727  0.272727  0.090909      2.000000
  0.000000  0.181818  0.272727      2.000000
 -0.181818  0.090909 -0.181818      2.000000
  0.090909  0.272727  0.272727      2.000000
  0.272727  0.000000  0.181818      2.000000
  0.363636  0.181818  0.000000      2.000000
  0.000000  0.363636  0.181818      2.000000
  0.181818  0.000000  0.363636      2.000000
  0.181818  0.181818 -0.181818      2.000000
  0.363636  0.181818  0.363636      2.000000
  0.181818  0.363636  0.000000      2.000000
  0.181818 -0.181818 -0.181818      2.000000
  0.363636  0.363636  0.181818      2.000000
  0.000000  0.181818  0.363636      2.000000
 -0.181818  0.181818 -0.181818      2.000000
  0.181818  0.363636  0.363636      2.000000
  0.363636  0.000000  0.181818      2.000000
  0.454545  0.181818  0.000000      2.000000
  0.000000  0.454545  0.181818      2.000000
  0.181818  0.000000  0.454545      2.000000
  0.181818  0.181818 -0.272727      2.000000
  0.454545  0.272727  0.454545      2.000000
  0.181818  0.454545  0.000000      2.000000
  0.272727 -0.181818 -0.181818      2.000000
  0.454545  0.454545  0.272727      2.000000
  0.000000  0.181818  0.454545      2.000000
 -0.181818  0.272727 -0.181818      2.000000
  0.272727  0.454545  0.454545      2.000000
  0.454545  0.000000  0.181818      2.000000
 -0.454545  0.181818  0.000000      2.000000
  0.000000 -0.454545  0.181818      2.000000
  0.181818  0.000000 -0.454545      2.000000
  0.181818  0.181818 -0.363636      2.000000
 -0.454545  0.363636 -0.454545      2.000000
  0.181818 -0.454545  0.000000      2.000000
  0.363636 -0.181818 -0.181818      2.000000
 -0.454545 -0.454545  0.363636      2.000000
  0.000000  0.181818 -0.454545      2.000000
 -0.181818  0.363636 -0.181818      2.000000
  0.363636 -0.454545 -0.454545      2.000000
 -0.454545  0.000000  0.181818      2.000000
 -0.363636  0.181818  0.000000      2.000000
  0.000000 -0.363636  0.181818      2.000000
  0.181818  0.000000 -0.363636      2.000000
  0.181818  0.181818 -0.454545      2.000000
 -0.363636  0.454545 -0.363636      2.000000
  0.181818 -0.363636  0.000000      2.000000
  0.454545 -0.181818 -0.181818      2.000000
 -0.363636 -0.363636  0.454545      2.000000
  0.000000  0.181818 -0.363636      2.000000
 -0.181818  0.454545 -0.181818      2.000000
  0.454545 -0.363636 -0.363636      2.000000
 -0.363636  0.000000  0.181818      2.000000
 -0.272727  0.181818  0.000000      2.000000
  0.000000 -0.272727  0.181818      2.000000
  0.181818  0.000000 -0.272727      2.000000
  0.181818  0.181818  0.454545      2.000000
 -0.272727 -0.454545 -0.272727      2.000000
  0.181818 -0.272727  0.000000      2.000000
 -0.454545 -0.181818 -0.181818      2.000000
 -0.272727 -0.272727 -0.454545      2.000000
  0.000000  0.181818 -0.272727      2.000000
 -0.181818 -0.454545 -0.181818      2.000000
 -0.454545 -0.272727 -0.272727      2.000000
 -0.272727  0.000000  0.181818      2.000000
 -0.181818  0.181818  0.000000      2.000000
  0.000000 -0.181818  0.181818      2.000000
  0.181818  0.000000 -0.181818      2.000000
  0.181818  0.181818  0.363636      2.000000
 -0.181818 -0.363636 -0.181818      2.000000
 -0.363636 -0.181818 -0.181818      2.000000
  0.272727  0.272727  0.000000      2.000000
  0.000000  0.272727  0.272727      2.000000
  0.272727  0.000000  0.272727      2.000000
  0.363636  0.272727  0.000000      2.000000
  0.000000  0.363636  0.272727      2.000000
  0.272727  0.000000  0.363636      2.000000
  0.272727  0.272727 -0.090909      2.000000
  0.363636  0.090909  0.363636      2.000000
  0.272727  0.363636  0.000000      2.000000
  0.090909 -0.272727 -0.272727      2.000000
  0.363636  0.363636  0.090909      2.000000
  0.000000  0.272727  0.363636      2.000000
 -0.272727  0.090909 -0.272727      2.000000
  0.090909  0.363636  0.363636      2.000000
  0.363636  0.000000  0.272727      2.000000
  0.454545  0.272727  0.000000      2.000000
  0.000000  0.454545  0.272727      2.000000
  0.272727  0.000000  0.454545      2.000000
  0.272727  0.272727 -0.181818      2.000000
  0.454545  0.181818  0.454545      2.000000
  0.272727  0.454545  0.000000      2.000000
  0.181818 -0.272727 -0.272727      2.000000
  0.454545  0.454545  0.181818      2.000000
  0.000000  0.272727  0.454545      2.000000
 -0.272727  0.181818 -0.272727      2.000000
  0.181818  0.454545  0.454545      2.000000
  0.454545  0.000000  0.272727      2.000000
 -0.454545  0.272727  0.000000      2.000000
  0.000000 -0.454545  0.272727      2.000000
  0.272727  0.000000 -0.454545      2.000000
  0.272727  0.272727 -0.272727      2.000000
 -0.454545  0.272727 -0.454545      2.000000
  0.272727 -0.454545  0.000000      2.000000
  0.272727 -0.272727 -0.272727      2.000000
 -0.454545 -0.454545  0.272727      2.000000
  0.000000  0.272727 -0.454545      2.000000
 -0.272727  0.272727 -0.272727      2.000000
  0.272727 -0.454545 -0.454545      2.000000
 -0.454545  0.000000  0.272727      2.000000
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  0.114591 -0.022918 -0.206264      2.000000
 -0.022918  0.206264 -0.114591      2.000000
 -0.114591  0.206264  0.022918      2.000000
  0.022918  0.114591 -0.206264      2.000000
  0.045837 -0.275019  0.137510      2.000000
 -0.229183  0.045837  0.137510      2.000000
  0.137510 -0.229183  0.045837      2.000000
  0.045837  0.137510 -0.229183      2.000000
  0.252101 -0.160428 -0.022918      2.000000
 -0.022918  0.252101 -0.160428      2.000000
 -0.160428 -0.022918  0.252101      2.000000
 -0.091673 -0.000000  0.229183      2.000000
  0.252101 -0.022918 -0.160428      2.000000
 -0.229183  0.091673  0.000000      2.000000
 -0.000000 -0.091673  0.229183      2.000000
 -0.229183  0.000000  0.091673      2.000000
 -0.160428  0.252101 -0.022918      2.000000
  0.000000 -0.229183  0.091673      2.000000
  0.091673 -0.229183  0.000000      2.000000
 -0.022918 -0.160428  0.252101      2.000000
  0.229183 -0.137510  0.000000      2.000000
  0.000000  0.229183 -0.137510      2.000000
 -0.137510  0.000000  0.229183      2.000000
 -0.114591 -0.022918  0.252101      2.000000
  0.022918 -0.252101  0.114591      2.000000
  0.000000 -0.137510  0.229183      2.000000
 -0.252101  0.022918  0.114591      2.000000
 -0.114591  0.252101 -0.022918      2.000000
  0.229183  0.000000 -0.137510      2.000000
  0.252101 -0.114591 -0.022918      2.000000
 -0.022918 -0.114591  0.252101      2.000000
 -0.137510  0.229183  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found   1331 k-points in 1st BZ
 the following   1331 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00075131   1 t-inv F
  0.090909  0.000000  0.000000    0.00075131   2 t-inv F
  0.000000  0.090909  0.000000    0.00075131   3 t-inv F
  0.000000  0.000000  0.090909    0.00075131   4 t-inv F
  0.090909  0.090909  0.090909    0.00075131   5 t-inv F
  0.181818  0.000000  0.000000    0.00075131   6 t-inv F
  0.000000  0.181818  0.000000    0.00075131   7 t-inv F
  0.000000  0.000000  0.181818    0.00075131   8 t-inv F
  0.181818  0.181818  0.181818    0.00075131   9 t-inv F
  0.272727  0.000000  0.000000    0.00075131  10 t-inv F
  0.000000  0.272727  0.000000    0.00075131  11 t-inv F
  0.000000  0.000000  0.272727    0.00075131  12 t-inv F
  0.272727  0.272727  0.272727    0.00075131  13 t-inv F
  0.363636  0.000000  0.000000    0.00075131  14 t-inv F
  0.000000  0.363636  0.000000    0.00075131  15 t-inv F
  0.000000  0.000000  0.363636    0.00075131  16 t-inv F
  0.363636  0.363636  0.363636    0.00075131  17 t-inv F
  0.454545  0.000000  0.000000    0.00075131  18 t-inv F
  0.000000  0.454545  0.000000    0.00075131  19 t-inv F
  0.000000  0.000000  0.454545    0.00075131  20 t-inv F
  0.454545  0.454545  0.454545    0.00075131  21 t-inv F
  0.090909  0.090909  0.000000    0.00075131  22 t-inv F
  0.000000  0.090909  0.090909    0.00075131  23 t-inv F
  0.090909  0.000000  0.090909    0.00075131  24 t-inv F
  0.181818  0.090909  0.000000    0.00075131  25 t-inv F
  0.000000  0.181818  0.090909    0.00075131  26 t-inv F
  0.090909  0.000000  0.181818    0.00075131  27 t-inv F
  0.090909  0.090909 -0.090909    0.00075131  28 t-inv F
  0.181818  0.090909  0.181818    0.00075131  29 t-inv F
  0.090909  0.181818  0.000000    0.00075131  30 t-inv F
  0.090909 -0.090909 -0.090909    0.00075131  31 t-inv F
  0.181818  0.181818  0.090909    0.00075131  32 t-inv F
  0.000000  0.090909  0.181818    0.00075131  33 t-inv F
 -0.090909  0.090909 -0.090909    0.00075131  34 t-inv F
  0.090909  0.181818  0.181818    0.00075131  35 t-inv F
  0.181818  0.000000  0.090909    0.00075131  36 t-inv F
  0.272727  0.090909  0.000000    0.00075131  37 t-inv F
  0.000000  0.272727  0.090909    0.00075131  38 t-inv F
  0.090909  0.000000  0.272727    0.00075131  39 t-inv F
  0.090909  0.090909 -0.181818    0.00075131  40 t-inv F
  0.272727  0.181818  0.272727    0.00075131  41 t-inv F
  0.090909  0.272727  0.000000    0.00075131  42 t-inv F
  0.181818 -0.090909 -0.090909    0.00075131  43 t-inv F
  0.272727  0.272727  0.181818    0.00075131  44 t-inv F
  0.000000  0.090909  0.272727    0.00075131  45 t-inv F
 -0.090909  0.181818 -0.090909    0.00075131  46 t-inv F
  0.181818  0.272727  0.272727    0.00075131  47 t-inv F
  0.272727  0.000000  0.090909    0.00075131  48 t-inv F
  0.363636  0.090909  0.000000    0.00075131  49 t-inv F
  0.000000  0.363636  0.090909    0.00075131  50 t-inv F
  0.090909  0.000000  0.363636    0.00075131  51 t-inv F
  0.090909  0.090909 -0.272727    0.00075131  52 t-inv F
  0.363636  0.272727  0.363636    0.00075131  53 t-inv F
  0.090909  0.363636  0.000000    0.00075131  54 t-inv F
  0.272727 -0.090909 -0.090909    0.00075131  55 t-inv F
  0.363636  0.363636  0.272727    0.00075131  56 t-inv F
  0.000000  0.090909  0.363636    0.00075131  57 t-inv F
 -0.090909  0.272727 -0.090909    0.00075131  58 t-inv F
  0.272727  0.363636  0.363636    0.00075131  59 t-inv F
  0.363636  0.000000  0.090909    0.00075131  60 t-inv F
  0.454545  0.090909  0.000000    0.00075131  61 t-inv F
  0.000000  0.454545  0.090909    0.00075131  62 t-inv F
  0.090909  0.000000  0.454545    0.00075131  63 t-inv F
  0.090909  0.090909 -0.363636    0.00075131  64 t-inv F
  0.454545  0.363636  0.454545    0.00075131  65 t-inv F
  0.090909  0.454545  0.000000    0.00075131  66 t-inv F
  0.363636 -0.090909 -0.090909    0.00075131  67 t-inv F
  0.454545  0.454545  0.363636    0.00075131  68 t-inv F
  0.000000  0.090909  0.454545    0.00075131  69 t-inv F
 -0.090909  0.363636 -0.090909    0.00075131  70 t-inv F
  0.363636  0.454545  0.454545    0.00075131  71 t-inv F
  0.454545  0.000000  0.090909    0.00075131  72 t-inv F
 -0.454545  0.090909  0.000000    0.00075131  73 t-inv F
  0.000000 -0.454545  0.090909    0.00075131  74 t-inv F
  0.090909  0.000000 -0.454545    0.00075131  75 t-inv F
  0.090909  0.090909 -0.454545    0.00075131  76 t-inv F
 -0.454545  0.454545 -0.454545    0.00075131  77 t-inv F
  0.090909 -0.454545  0.000000    0.00075131  78 t-inv F
  0.454545 -0.090909 -0.090909    0.00075131  79 t-inv F
 -0.454545 -0.454545  0.454545    0.00075131  80 t-inv F
  0.000000  0.090909 -0.454545    0.00075131  81 t-inv F
 -0.090909  0.454545 -0.090909    0.00075131  82 t-inv F
  0.454545 -0.454545 -0.454545    0.00075131  83 t-inv F
 -0.454545  0.000000  0.090909    0.00075131  84 t-inv F
 -0.363636  0.090909  0.000000    0.00075131  85 t-inv F
  0.000000 -0.363636  0.090909    0.00075131  86 t-inv F
  0.090909  0.000000 -0.363636    0.00075131  87 t-inv F
  0.090909  0.090909  0.454545    0.00075131  88 t-inv F
 -0.363636 -0.454545 -0.363636    0.00075131  89 t-inv F
  0.090909 -0.363636  0.000000    0.00075131  90 t-inv F
 -0.454545 -0.090909 -0.090909    0.00075131  91 t-inv F
 -0.363636 -0.363636 -0.454545    0.00075131  92 t-inv F
  0.000000  0.090909 -0.363636    0.00075131  93 t-inv F
 -0.090909 -0.454545 -0.090909    0.00075131  94 t-inv F
 -0.454545 -0.363636 -0.363636    0.00075131  95 t-inv F
 -0.363636  0.000000  0.090909    0.00075131  96 t-inv F
 -0.272727  0.090909  0.000000    0.00075131  97 t-inv F
  0.000000 -0.272727  0.090909    0.00075131  98 t-inv F
  0.090909  0.000000 -0.272727    0.00075131  99 t-inv F
  0.090909  0.090909  0.363636    0.00075131 100 t-inv F
 -0.272727 -0.363636 -0.272727    0.00075131 101 t-inv F
  0.090909 -0.272727  0.000000    0.00075131 102 t-inv F
 -0.363636 -0.090909 -0.090909    0.00075131 103 t-inv F
 -0.272727 -0.272727 -0.363636    0.00075131 104 t-inv F
  0.000000  0.090909 -0.272727    0.00075131 105 t-inv F
 -0.090909 -0.363636 -0.090909    0.00075131 106 t-inv F
 -0.363636 -0.272727 -0.272727    0.00075131 107 t-inv F
 -0.272727  0.000000  0.090909    0.00075131 108 t-inv F
 -0.181818  0.090909  0.000000    0.00075131 109 t-inv F
  0.000000 -0.181818  0.090909    0.00075131 110 t-inv F
  0.090909  0.000000 -0.181818    0.00075131 111 t-inv F
  0.090909  0.090909  0.272727    0.00075131 112 t-inv F
 -0.181818 -0.272727 -0.181818    0.00075131 113 t-inv F
  0.090909 -0.181818  0.000000    0.00075131 114 t-inv F
 -0.272727 -0.090909 -0.090909    0.00075131 115 t-inv F
 -0.181818 -0.181818 -0.272727    0.00075131 116 t-inv F
  0.000000  0.090909 -0.181818    0.00075131 117 t-inv F
 -0.090909 -0.272727 -0.090909    0.00075131 118 t-inv F
 -0.272727 -0.181818 -0.181818    0.00075131 119 t-inv F
 -0.181818  0.000000  0.090909    0.00075131 120 t-inv F
 -0.090909  0.090909  0.000000    0.00075131 121 t-inv F
  0.000000 -0.090909  0.090909    0.00075131 122 t-inv F
  0.090909  0.000000 -0.090909    0.00075131 123 t-inv F
  0.090909  0.090909  0.181818    0.00075131 124 t-inv F
 -0.090909 -0.181818 -0.090909    0.00075131 125 t-inv F
 -0.181818 -0.090909 -0.090909    0.00075131 126 t-inv F
  0.181818  0.181818  0.000000    0.00075131 127 t-inv F
  0.000000  0.181818  0.181818    0.00075131 128 t-inv F
  0.181818  0.000000  0.181818    0.00075131 129 t-inv F
  0.272727  0.181818  0.000000    0.00075131 130 t-inv F
  0.000000  0.272727  0.181818    0.00075131 131 t-inv F
  0.181818  0.000000  0.272727    0.00075131 132 t-inv F
  0.181818  0.181818 -0.090909    0.00075131 133 t-inv F
  0.272727  0.090909  0.272727    0.00075131 134 t-inv F
  0.181818  0.272727  0.000000    0.00075131 135 t-inv F
  0.090909 -0.181818 -0.181818    0.00075131 136 t-inv F
  0.272727  0.272727  0.090909    0.00075131 137 t-inv F
  0.000000  0.181818  0.272727    0.00075131 138 t-inv F
 -0.181818  0.090909 -0.181818    0.00075131 139 t-inv F
  0.090909  0.272727  0.272727    0.00075131 140 t-inv F
  0.272727  0.000000  0.181818    0.00075131 141 t-inv F
  0.363636  0.181818  0.000000    0.00075131 142 t-inv F
  0.000000  0.363636  0.181818    0.00075131 143 t-inv F
  0.181818  0.000000  0.363636    0.00075131 144 t-inv F
  0.181818  0.181818 -0.181818    0.00075131 145 t-inv F
  0.363636  0.181818  0.363636    0.00075131 146 t-inv F
  0.181818  0.363636  0.000000    0.00075131 147 t-inv F
  0.181818 -0.181818 -0.181818    0.00075131 148 t-inv F
  0.363636  0.363636  0.181818    0.00075131 149 t-inv F
  0.000000  0.181818  0.363636    0.00075131 150 t-inv F
 -0.181818  0.181818 -0.181818    0.00075131 151 t-inv F
  0.181818  0.363636  0.363636    0.00075131 152 t-inv F
  0.363636  0.000000  0.181818    0.00075131 153 t-inv F
  0.454545  0.181818  0.000000    0.00075131 154 t-inv F
  0.000000  0.454545  0.181818    0.00075131 155 t-inv F
  0.181818  0.000000  0.454545    0.00075131 156 t-inv F
  0.181818  0.181818 -0.272727    0.00075131 157 t-inv F
  0.454545  0.272727  0.454545    0.00075131 158 t-inv F
  0.181818  0.454545  0.000000    0.00075131 159 t-inv F
  0.272727 -0.181818 -0.181818    0.00075131 160 t-inv F
  0.454545  0.454545  0.272727    0.00075131 161 t-inv F
  0.000000  0.181818  0.454545    0.00075131 162 t-inv F
 -0.181818  0.272727 -0.181818    0.00075131 163 t-inv F
  0.272727  0.454545  0.454545    0.00075131 164 t-inv F
  0.454545  0.000000  0.181818    0.00075131 165 t-inv F
 -0.454545  0.181818  0.000000    0.00075131 166 t-inv F
  0.000000 -0.454545  0.181818    0.00075131 167 t-inv F
  0.181818  0.000000 -0.454545    0.00075131 168 t-inv F
  0.181818  0.181818 -0.363636    0.00075131 169 t-inv F
 -0.454545  0.363636 -0.454545    0.00075131 170 t-inv F
  0.181818 -0.454545  0.000000    0.00075131 171 t-inv F
  0.363636 -0.181818 -0.181818    0.00075131 172 t-inv F
 -0.454545 -0.454545  0.363636    0.00075131 173 t-inv F
  0.000000  0.181818 -0.454545    0.00075131 174 t-inv F
 -0.181818  0.363636 -0.181818    0.00075131 175 t-inv F
  0.363636 -0.454545 -0.454545    0.00075131 176 t-inv F
 -0.454545  0.000000  0.181818    0.00075131 177 t-inv F
 -0.363636  0.181818  0.000000    0.00075131 178 t-inv F
  0.000000 -0.363636  0.181818    0.00075131 179 t-inv F
  0.181818  0.000000 -0.363636    0.00075131 180 t-inv F
  0.181818  0.181818 -0.454545    0.00075131 181 t-inv F
 -0.363636  0.454545 -0.363636    0.00075131 182 t-inv F
  0.181818 -0.363636  0.000000    0.00075131 183 t-inv F
  0.454545 -0.181818 -0.181818    0.00075131 184 t-inv F
 -0.363636 -0.363636  0.454545    0.00075131 185 t-inv F
  0.000000  0.181818 -0.363636    0.00075131 186 t-inv F
 -0.181818  0.454545 -0.181818    0.00075131 187 t-inv F
  0.454545 -0.363636 -0.363636    0.00075131 188 t-inv F
 -0.363636  0.000000  0.181818    0.00075131 189 t-inv F
 -0.272727  0.181818  0.000000    0.00075131 190 t-inv F
  0.000000 -0.272727  0.181818    0.00075131 191 t-inv F
  0.181818  0.000000 -0.272727    0.00075131 192 t-inv F
  0.181818  0.181818  0.454545    0.00075131 193 t-inv F
 -0.272727 -0.454545 -0.272727    0.00075131 194 t-inv F
  0.181818 -0.272727  0.000000    0.00075131 195 t-inv F
 -0.454545 -0.181818 -0.181818    0.00075131 196 t-inv F
 -0.272727 -0.272727 -0.454545    0.00075131 197 t-inv F
  0.000000  0.181818 -0.272727    0.00075131 198 t-inv F
 -0.181818 -0.454545 -0.181818    0.00075131 199 t-inv F
 -0.454545 -0.272727 -0.272727    0.00075131 200 t-inv F
 -0.272727  0.000000  0.181818    0.00075131 201 t-inv F
 -0.181818  0.181818  0.000000    0.00075131 202 t-inv F
  0.000000 -0.181818  0.181818    0.00075131 203 t-inv F
  0.181818  0.000000 -0.181818    0.00075131 204 t-inv F
  0.181818  0.181818  0.363636    0.00075131 205 t-inv F
 -0.181818 -0.363636 -0.181818    0.00075131 206 t-inv F
 -0.363636 -0.181818 -0.181818    0.00075131 207 t-inv F
  0.272727  0.272727  0.000000    0.00075131 208 t-inv F
  0.000000  0.272727  0.272727    0.00075131 209 t-inv F
  0.272727  0.000000  0.272727    0.00075131 210 t-inv F
  0.363636  0.272727  0.000000    0.00075131 211 t-inv F
  0.000000  0.363636  0.272727    0.00075131 212 t-inv F
  0.272727  0.000000  0.363636    0.00075131 213 t-inv F
  0.272727  0.272727 -0.090909    0.00075131 214 t-inv F
  0.363636  0.090909  0.363636    0.00075131 215 t-inv F
  0.272727  0.363636  0.000000    0.00075131 216 t-inv F
  0.090909 -0.272727 -0.272727    0.00075131 217 t-inv F
  0.363636  0.363636  0.090909    0.00075131 218 t-inv F
  0.000000  0.272727  0.363636    0.00075131 219 t-inv F
 -0.272727  0.090909 -0.272727    0.00075131 220 t-inv F
  0.090909  0.363636  0.363636    0.00075131 221 t-inv F
  0.363636  0.000000  0.272727    0.00075131 222 t-inv F
  0.454545  0.272727  0.000000    0.00075131 223 t-inv F
  0.000000  0.454545  0.272727    0.00075131 224 t-inv F
  0.272727  0.000000  0.454545    0.00075131 225 t-inv F
  0.272727  0.272727 -0.181818    0.00075131 226 t-inv F
  0.454545  0.181818  0.454545    0.00075131 227 t-inv F
  0.272727  0.454545  0.000000    0.00075131 228 t-inv F
  0.181818 -0.272727 -0.272727    0.00075131 229 t-inv F
  0.454545  0.454545  0.181818    0.00075131 230 t-inv F
  0.000000  0.272727  0.454545    0.00075131 231 t-inv F
 -0.272727  0.181818 -0.272727    0.00075131 232 t-inv F
  0.181818  0.454545  0.454545    0.00075131 233 t-inv F
  0.454545  0.000000  0.272727    0.00075131 234 t-inv F
 -0.454545  0.272727  0.000000    0.00075131 235 t-inv F
  0.000000 -0.454545  0.272727    0.00075131 236 t-inv F
  0.272727  0.000000 -0.454545    0.00075131 237 t-inv F
  0.272727  0.272727 -0.272727    0.00075131 238 t-inv F
 -0.454545  0.272727 -0.454545    0.00075131 239 t-inv F
  0.272727 -0.454545  0.000000    0.00075131 240 t-inv F
  0.272727 -0.272727 -0.272727    0.00075131 241 t-inv F
 -0.454545 -0.454545  0.272727    0.00075131 242 t-inv F
  0.000000  0.272727 -0.454545    0.00075131 243 t-inv F
 -0.272727  0.272727 -0.272727    0.00075131 244 t-inv F
  0.272727 -0.454545 -0.454545    0.00075131 245 t-inv F
 -0.454545  0.000000  0.272727    0.00075131 246 t-inv F
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 -0.181818  0.272727 -0.454545    0.00075131 656 t-inv T
 -0.454545 -0.181818  0.272727    0.00075131 657 t-inv T
 -0.454545 -0.272727  0.272727    0.00075131 658 t-inv T
  0.272727 -0.272727  0.454545    0.00075131 659 t-inv T
 -0.181818 -0.454545  0.272727    0.00075131 660 t-inv T
 -0.272727  0.272727  0.454545    0.00075131 661 t-inv T
 -0.454545  0.272727 -0.272727    0.00075131 662 t-inv T
  0.272727 -0.181818 -0.454545    0.00075131 663 t-inv T
  0.272727 -0.454545 -0.272727    0.00075131 664 t-inv T
 -0.272727 -0.454545  0.272727    0.00075131 665 t-inv T
 -0.454545  0.272727 -0.181818    0.00075131 666 t-inv T


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




 Dimension of arrays:
   k-points           NKPTS =    666   k-points in BZ     NKDIM =   1331   number of bands    NBANDS=      8
   number of dos      NEDOS =    301   number of ions     NIONS =      1
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =   5832
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  14745
   dimension x,y,z NGX =    18 NGY =   18 NGZ =   18
   dimension x,y,z NGXF=    36 NGYF=   36 NGZF=   36
   support grid    NGXF=    36 NGYF=   36 NGZF=   36
   ions per type =               1
   NGX,Y,Z   is equivalent  to a cutoff of  10.67, 10.67, 10.67 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  21.34, 21.34, 21.34 a.u.

 SYSTEM =  Cu Bulk, HSE06-1/2x vdW-DF2, single pont
 POSCAR =  Al                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   4.57  4.57  4.57*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-03   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   =      0    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.180E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       3.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     53    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.31E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      15.60       105.30
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.944879  1.785562 12.147232  0.892796
  Thomas-Fermi vector in A             =   2.072726
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    PE    GGA type
   LEXCH   =     8    internal setting for exchange type
   LIBXC   =     F    Libxc                    
   VOSKOWN =     0    Vosko Wilk Nusair interpolation
   EXXOEP  =     0    0=HF, 1=EXX-LHF (local Hartree Fock) 2=EXX OEP
   LHFCALC =     T    Hartree Fock is set to
   LSYMGRAD=     F    symmetrize gradient (conserves proper symmetry)
   PRECFOCK=normal    Normal, Fast or Accurate (Low or Medium for compatibility)
   LRHFCALC=     F    long range Hartree Fock
   LRSCOR  =     F    long range correlation only (use DFT for short range part)
   LTHOMAS =     F    Thomas Fermi screening in HF
   LMODELHF=     F    short range full HF, long range fraction AEXX
   FOCKCORR=     1    mode to apply convergence corrections
   LFOCKACE=     T    use Adeptively-Compressed-Exchange operator
   ENCUT4O =  -1.0   cutoff for four orbital integrals eV
   LMAXFOCK=     4    L truncation for augmentation on plane wave grid
   LMAXFOCKAE=  -1    L truncation for all-electron charge restoration on plane wave grid
   NMAXFOCKAE=   1    number of basis functions for all-electron charge restoration
   LFOCKAEDFT=     F  apply the AE augmentation even for DFT
   NKREDX  =     1    reduce k-point grid by
   NKREDY  =     1    reduce k-point grid by
   NKREDZ  =     1    reduce k-point grid by
   SHIFTRED=     F    shift reduced grid of Gamma
   HFKIDENT=     F    idential grid for each k-point
   ODDONLY =     F    use only odd q-grid points
   EVENONLY=     F    use only even q-grid points
   HFALPHA =   -1.0000 decay constant for conv. correction
   MCALPHA =    0.0000 extent of test-charge in conv. correction in multipole expansion
   AEXX    =    0.5000 exact exchange contribution
   HFSCREEN=    0.2000 screening length (either q_TF or 0.3 A-1)
   HFSCREENC=   0.2000 screening length for correlation (either q_TF or 0.3 A-1)
   HFRCUT  =    0.0000 spherical cutoff for potential kernel
   ALDAX   =    0.5000 LDA exchange part
   AGGAX   =    0.5000 GGA exchange part
   ALDAC   =    1.0000 LDA correlation
   AGGAC   =    0.0000 GGA correlation
   ENCUTFOCK=  -1.0 apply spherical cutoff to Coloumb kernel
   NBANDSGWLOW=     1    first orbital included in HF term
   NBLOCK_FOCK=    64    blocking factor in FOCK_ACC

 vdW DFT:
   LUSE_VDW   =     T    switch on vdW DFT
   Zab_VDW    =******    correlation parameter
   PARAM1     =0.1234
   PARAM2     =1.0000
   PARAM3     =0.0000
   -- rVV10 --
   BPARAM     = 6.3000
   CPARAM     = 0.0093

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



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


 Static calculation
 charge density and potential will be updated during run
 spin polarized calculation
 Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            6
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      400.00
  volume of cell :       15.60
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.983333333  1.983333333    -0.252100840  0.252100840  0.252100840
     1.983333333  0.000000000  1.983333333     0.252100840 -0.252100840  0.252100840
     1.983333333  1.983333333  0.000000000     0.252100840  0.252100840 -0.252100840

  length of vectors
     2.804856899  2.804856899  2.804856899     0.436651464  0.436651464  0.436651464


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :       15.60
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.983333333  1.983333333    -0.252100840  0.252100840  0.252100840
     1.983333333  0.000000000  1.983333333     0.252100840 -0.252100840  0.252100840
     1.983333333  1.983333333  0.000000000     0.252100840  0.252100840 -0.252100840

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.001
  -0.02291826  0.02291826  0.02291826       0.002
   0.02291826 -0.02291826  0.02291826       0.002
   0.02291826  0.02291826 -0.02291826       0.002
   0.02291826  0.02291826  0.02291826       0.002
  -0.04583652  0.04583652  0.04583652       0.002
   0.04583652 -0.04583652  0.04583652       0.002
   0.04583652  0.04583652 -0.04583652       0.002
   0.04583652  0.04583652  0.04583652       0.002
  -0.06875477  0.06875477  0.06875477       0.002
   0.06875477 -0.06875477  0.06875477       0.002
   0.06875477  0.06875477 -0.06875477       0.002
   0.06875477  0.06875477  0.06875477       0.002
  -0.09167303  0.09167303  0.09167303       0.002
   0.09167303 -0.09167303  0.09167303       0.002
   0.09167303  0.09167303 -0.09167303       0.002
   0.09167303  0.09167303  0.09167303       0.002
  -0.11459129  0.11459129  0.11459129       0.002
   0.11459129 -0.11459129  0.11459129       0.002
   0.11459129  0.11459129 -0.11459129       0.002
   0.11459129  0.11459129  0.11459129       0.002
   0.00000000  0.00000000  0.04583652       0.002
   0.04583652  0.00000000  0.00000000       0.002
   0.00000000  0.04583652  0.00000000       0.002
  -0.02291826  0.02291826  0.06875477       0.002
   0.06875477 -0.02291826  0.02291826       0.002
   0.02291826  0.06875477 -0.02291826       0.002
  -0.02291826 -0.02291826  0.06875477       0.002
   0.02291826  0.06875477  0.02291826       0.002
   0.02291826 -0.02291826  0.06875477       0.002
  -0.06875477  0.02291826  0.02291826       0.002
   0.02291826  0.02291826  0.06875477       0.002
   0.06875477  0.02291826 -0.02291826       0.002
   0.02291826 -0.06875477  0.02291826       0.002
   0.06875477  0.02291826  0.02291826       0.002
  -0.02291826  0.06875477  0.02291826       0.002
  -0.04583652  0.04583652  0.09167303       0.002
   0.09167303 -0.04583652  0.04583652       0.002
   0.04583652  0.09167303 -0.04583652       0.002
  -0.04583652 -0.04583652  0.09167303       0.002
   0.04583652  0.09167303  0.04583652       0.002
   0.04583652 -0.04583652  0.09167303       0.002
  -0.09167303  0.04583652  0.04583652       0.002
   0.04583652  0.04583652  0.09167303       0.002
   0.09167303  0.04583652 -0.04583652       0.002
   0.04583652 -0.09167303  0.04583652       0.002
   0.09167303  0.04583652  0.04583652       0.002
  -0.04583652  0.09167303  0.04583652       0.002
  -0.06875477  0.06875477  0.11459129       0.002
   0.11459129 -0.06875477  0.06875477       0.002
   0.06875477  0.11459129 -0.06875477       0.002
  -0.06875477 -0.06875477  0.11459129       0.002
   0.06875477  0.11459129  0.06875477       0.002
   0.06875477 -0.06875477  0.11459129       0.002
  -0.11459129  0.06875477  0.06875477       0.002
   0.06875477  0.06875477  0.11459129       0.002
   0.11459129  0.06875477 -0.06875477       0.002
   0.06875477 -0.11459129  0.06875477       0.002
   0.11459129  0.06875477  0.06875477       0.002
  -0.06875477  0.11459129  0.06875477       0.002
  -0.09167303  0.09167303  0.13750955       0.002
   0.13750955 -0.09167303  0.09167303       0.002
   0.09167303  0.13750955 -0.09167303       0.002
  -0.09167303 -0.09167303  0.13750955       0.002
   0.09167303  0.13750955  0.09167303       0.002
   0.09167303 -0.09167303  0.13750955       0.002
  -0.13750955  0.09167303  0.09167303       0.002
   0.09167303  0.09167303  0.13750955       0.002
   0.13750955  0.09167303 -0.09167303       0.002
   0.09167303 -0.13750955  0.09167303       0.002
   0.13750955  0.09167303  0.09167303       0.002
  -0.09167303  0.13750955  0.09167303       0.002
   0.13750955 -0.13750955 -0.09167303       0.002
  -0.09167303  0.13750955 -0.13750955       0.002
  -0.13750955 -0.09167303  0.13750955       0.002
  -0.11459129 -0.11459129  0.16042781       0.002
   0.11459129 -0.34377387  0.11459129       0.002
  -0.13750955  0.13750955 -0.09167303       0.002
  -0.16042781  0.11459129  0.11459129       0.002
   0.11459129  0.11459129 -0.34377387       0.002
  -0.09167303 -0.13750955  0.13750955       0.002
   0.11459129 -0.16042781  0.11459129       0.002
  -0.34377387  0.11459129  0.11459129       0.002
   0.13750955 -0.09167303 -0.13750955       0.002
   0.11459129 -0.11459129 -0.06875477       0.002
  -0.06875477  0.11459129 -0.11459129       0.002
  -0.11459129 -0.06875477  0.11459129       0.002
   0.11459129  0.11459129 -0.06875477       0.002
  -0.11459129 -0.06875477 -0.11459129       0.002
  -0.11459129  0.11459129 -0.06875477       0.002
   0.06875477 -0.11459129 -0.11459129       0.002
  -0.11459129 -0.11459129 -0.06875477       0.002
  -0.06875477 -0.11459129  0.11459129       0.002
  -0.11459129  0.06875477 -0.11459129       0.002
  -0.06875477 -0.11459129 -0.11459129       0.002
   0.11459129 -0.06875477 -0.11459129       0.002
   0.09167303 -0.09167303 -0.04583652       0.002
  -0.04583652  0.09167303 -0.09167303       0.002
  -0.09167303 -0.04583652  0.09167303       0.002
   0.09167303  0.09167303 -0.04583652       0.002
  -0.09167303 -0.04583652 -0.09167303       0.002
  -0.09167303  0.09167303 -0.04583652       0.002
   0.04583652 -0.09167303 -0.09167303       0.002
  -0.09167303 -0.09167303 -0.04583652       0.002
  -0.04583652 -0.09167303  0.09167303       0.002
  -0.09167303  0.04583652 -0.09167303       0.002
  -0.04583652 -0.09167303 -0.09167303       0.002
   0.09167303 -0.04583652 -0.09167303       0.002
   0.06875477 -0.06875477 -0.02291826       0.002
  -0.02291826  0.06875477 -0.06875477       0.002
  -0.06875477 -0.02291826  0.06875477       0.002
   0.06875477  0.06875477 -0.02291826       0.002
  -0.06875477 -0.02291826 -0.06875477       0.002
  -0.06875477  0.06875477 -0.02291826       0.002
   0.02291826 -0.06875477 -0.06875477       0.002
  -0.06875477 -0.06875477 -0.02291826       0.002
  -0.02291826 -0.06875477  0.06875477       0.002
  -0.06875477  0.02291826 -0.06875477       0.002
  -0.02291826 -0.06875477 -0.06875477       0.002
   0.06875477 -0.02291826 -0.06875477       0.002
   0.04583652 -0.04583652  0.00000000       0.002
   0.00000000  0.04583652 -0.04583652       0.002
  -0.04583652  0.00000000  0.04583652       0.002
   0.04583652  0.04583652  0.00000000       0.002
  -0.04583652  0.00000000 -0.04583652       0.002
   0.00000000 -0.04583652 -0.04583652       0.002
   0.00000000  0.00000000  0.09167303       0.002
   0.09167303  0.00000000  0.00000000       0.002
   0.00000000  0.09167303  0.00000000       0.002
  -0.02291826  0.02291826  0.11459129       0.002
   0.11459129 -0.02291826  0.02291826       0.002
   0.02291826  0.11459129 -0.02291826       0.002
  -0.02291826 -0.02291826  0.11459129       0.002
   0.02291826  0.11459129  0.02291826       0.002
   0.02291826 -0.02291826  0.11459129       0.002
  -0.11459129  0.02291826  0.02291826       0.002
   0.02291826  0.02291826  0.11459129       0.002
   0.11459129  0.02291826 -0.02291826       0.002
   0.02291826 -0.11459129  0.02291826       0.002
   0.11459129  0.02291826  0.02291826       0.002
  -0.02291826  0.11459129  0.02291826       0.002
  -0.04583652  0.04583652  0.13750955       0.002
   0.13750955 -0.04583652  0.04583652       0.002
   0.04583652  0.13750955 -0.04583652       0.002
  -0.04583652 -0.04583652  0.13750955       0.002
   0.04583652  0.13750955  0.04583652       0.002
   0.04583652 -0.04583652  0.13750955       0.002
  -0.13750955  0.04583652  0.04583652       0.002
   0.04583652  0.04583652  0.13750955       0.002
   0.13750955  0.04583652 -0.04583652       0.002
   0.04583652 -0.13750955  0.04583652       0.002
   0.13750955  0.04583652  0.04583652       0.002
  -0.04583652  0.13750955  0.04583652       0.002
  -0.06875477  0.06875477  0.16042781       0.002
   0.16042781 -0.06875477  0.06875477       0.002
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  -0.13750955 -0.09167303  0.22918258       0.002
   0.09167303 -0.27501910  0.13750955       0.002
   0.02291826 -0.11459129  0.16042781       0.002
  -0.16042781  0.11459129 -0.02291826       0.002
  -0.22918258  0.09167303  0.13750955       0.002
  -0.13750955  0.27501910 -0.09167303       0.002
   0.13750955  0.09167303 -0.27501910       0.002
   0.16042781  0.02291826 -0.11459129       0.002
   0.22918258 -0.13750955 -0.09167303       0.002
  -0.02291826 -0.16042781  0.11459129       0.002
   0.13750955 -0.22918258  0.09167303       0.002
  -0.09167303 -0.13750955  0.27501910       0.002
  -0.27501910  0.13750955  0.09167303       0.002
  -0.11459129  0.16042781  0.02291826       0.002
  -0.09167303  0.22918258 -0.13750955       0.002
   0.11459129 -0.02291826 -0.16042781       0.002
   0.09167303  0.13750955 -0.22918258       0.002
   0.27501910 -0.09167303 -0.13750955       0.002
  -0.16042781  0.02291826  0.11459129       0.002
   0.11459129 -0.16042781  0.02291826       0.002
   0.02291826  0.11459129 -0.16042781       0.002
   0.13750955 -0.09167303  0.00000000       0.002
   0.00000000  0.13750955 -0.09167303       0.002
  -0.09167303  0.00000000  0.13750955       0.002
   0.09167303  0.13750955 -0.00000000       0.002
  -0.13750955  0.00000000 -0.09167303       0.002
   0.00000000 -0.09167303  0.13750955       0.002
   0.00000000 -0.13750955 -0.09167303       0.002
   0.09167303 -0.00000000  0.13750955       0.002
   0.13750955  0.00000000 -0.09167303       0.002
  -0.00000000  0.09167303  0.13750955       0.002
   0.13750955  0.09167303 -0.00000000       0.002
  -0.09167303  0.13750955  0.00000000       0.002
   0.00000000  0.04583652  0.18334607       0.002
   0.18334607  0.00000000  0.04583652       0.002
   0.04583652  0.18334607  0.00000000       0.002
  -0.04583652  0.00000000  0.18334607       0.002
  -0.00000000  0.18334607  0.04583652       0.002
  -0.18334607  0.04583652  0.00000000       0.002
  -0.00000000 -0.04583652  0.18334607       0.002
  -0.18334607 -0.00000000  0.04583652       0.002
   0.04583652 -0.00000000  0.18334607       0.002
   0.00000000 -0.18334607  0.04583652       0.002
   0.04583652 -0.18334607 -0.00000000       0.002
   0.18334607  0.04583652 -0.00000000       0.002
   0.22918258 -0.18334607 -0.04583652       0.002
  -0.04583652  0.22918258 -0.18334607       0.002
  -0.18334607 -0.04583652  0.22918258       0.002
  -0.06875477 -0.02291826  0.20626432       0.002
   0.27501910 -0.04583652 -0.18334607       0.002
  -0.20626432  0.06875477 -0.02291826       0.002
   0.02291826 -0.06875477  0.20626432       0.002
  -0.20626432  0.02291826  0.06875477       0.002
   0.18334607  0.04583652 -0.27501910       0.002
  -0.18334607  0.27501910 -0.04583652       0.002
  -0.02291826 -0.20626432  0.06875477       0.002
   0.20626432 -0.06875477 -0.02291826       0.002
   0.20626432  0.02291826 -0.06875477       0.002
   0.06875477 -0.20626432  0.02291826       0.002
  -0.27501910  0.18334607  0.04583652       0.002
  -0.04583652 -0.18334607  0.27501910       0.002
   0.06875477 -0.02291826 -0.20626432       0.002
  -0.02291826  0.20626432 -0.06875477       0.002
  -0.06875477  0.20626432  0.02291826       0.002
   0.02291826  0.06875477 -0.20626432       0.002
   0.04583652 -0.27501910  0.18334607       0.002
  -0.22918258  0.04583652  0.18334607       0.002
   0.18334607 -0.22918258  0.04583652       0.002
   0.04583652  0.18334607 -0.22918258       0.002
   0.20626432 -0.16042781 -0.02291826       0.002
  -0.02291826  0.20626432 -0.16042781       0.002
  -0.16042781 -0.02291826  0.20626432       0.002
  -0.09167303 -0.04583652  0.22918258       0.002
   0.04583652 -0.27501910  0.09167303       0.002
   0.02291826 -0.16042781  0.20626432       0.002
  -0.20626432  0.16042781 -0.02291826       0.002
  -0.22918258  0.04583652  0.09167303       0.002
  -0.09167303  0.27501910 -0.04583652       0.002
   0.09167303  0.04583652 -0.27501910       0.002
   0.20626432  0.02291826 -0.16042781       0.002
   0.22918258 -0.09167303 -0.04583652       0.002
  -0.02291826 -0.20626432  0.16042781       0.002
   0.09167303 -0.22918258  0.04583652       0.002
  -0.04583652 -0.09167303  0.27501910       0.002
  -0.27501910  0.09167303  0.04583652       0.002
  -0.16042781  0.20626432  0.02291826       0.002
  -0.04583652  0.22918258 -0.09167303       0.002
   0.16042781 -0.02291826 -0.20626432       0.002
   0.04583652  0.09167303 -0.22918258       0.002
   0.27501910 -0.04583652 -0.09167303       0.002
  -0.20626432  0.02291826  0.16042781       0.002
   0.16042781 -0.20626432  0.02291826       0.002
   0.02291826  0.16042781 -0.20626432       0.002
   0.18334607 -0.13750955  0.00000000       0.002
   0.00000000  0.18334607 -0.13750955       0.002
  -0.13750955  0.00000000  0.18334607       0.002
  -0.11459129 -0.06875477  0.25210084       0.002
   0.06875477 -0.25210084  0.11459129       0.002
   0.00000000 -0.13750955  0.18334607       0.002
  -0.25210084  0.06875477  0.11459129       0.002
  -0.11459129  0.25210084 -0.06875477       0.002
   0.18334607  0.00000000 -0.13750955       0.002
   0.25210084 -0.11459129 -0.06875477       0.002
  -0.06875477 -0.11459129  0.25210084       0.002
  -0.13750955  0.18334607  0.00000000       0.002
   0.25210084 -0.20626432 -0.02291826       0.002
  -0.02291826  0.25210084 -0.20626432       0.002
  -0.20626432 -0.02291826  0.25210084       0.002
  -0.04583652 -0.00000000  0.22918258       0.002
   0.25210084 -0.02291826 -0.20626432       0.002
  -0.22918258  0.04583652  0.00000000       0.002
  -0.00000000 -0.04583652  0.22918258       0.002
  -0.22918258  0.00000000  0.04583652       0.002
  -0.20626432  0.25210084 -0.02291826       0.002
   0.00000000 -0.22918258  0.04583652       0.002
   0.04583652 -0.22918258  0.00000000       0.002
  -0.02291826 -0.20626432  0.25210084       0.002
   0.22918258 -0.18334607 -0.00000000       0.002
  -0.00000000  0.22918258 -0.18334607       0.002
  -0.18334607 -0.00000000  0.22918258       0.002
  -0.06875477 -0.02291826  0.25210084       0.002
   0.02291826 -0.25210084  0.06875477       0.002
   0.00000000 -0.18334607  0.22918258       0.002
  -0.25210084  0.02291826  0.06875477       0.002
  -0.06875477  0.25210084 -0.02291826       0.002
   0.22918258  0.00000000 -0.18334607       0.002
   0.25210084 -0.06875477 -0.02291826       0.002
  -0.02291826 -0.06875477  0.25210084       0.002
  -0.18334607  0.22918258  0.00000000       0.002
   0.25210084 -0.16042781 -0.06875477       0.002
  -0.06875477  0.25210084 -0.16042781       0.002
  -0.16042781 -0.06875477  0.25210084       0.002
  -0.09167303  0.00000000  0.18334607       0.002
   0.25210084 -0.06875477 -0.16042781       0.002
  -0.18334607  0.09167303  0.00000000       0.002
   0.00000000 -0.09167303  0.18334607       0.002
  -0.18334607  0.00000000  0.09167303       0.002
  -0.16042781  0.25210084 -0.06875477       0.002
   0.00000000 -0.18334607  0.09167303       0.002
   0.09167303 -0.18334607  0.00000000       0.002
  -0.06875477 -0.16042781  0.25210084       0.002
   0.22918258 -0.13750955 -0.04583652       0.002
  -0.04583652  0.22918258 -0.13750955       0.002
  -0.13750955 -0.04583652  0.22918258       0.002
  -0.11459129 -0.02291826  0.20626432       0.002
   0.27501910 -0.04583652 -0.13750955       0.002
  -0.20626432  0.11459129 -0.02291826       0.002
   0.02291826 -0.11459129  0.20626432       0.002
  -0.20626432  0.02291826  0.11459129       0.002
   0.13750955  0.04583652 -0.27501910       0.002
  -0.13750955  0.27501910 -0.04583652       0.002
  -0.02291826 -0.20626432  0.11459129       0.002
   0.20626432 -0.11459129 -0.02291826       0.002
   0.20626432  0.02291826 -0.11459129       0.002
   0.11459129 -0.20626432  0.02291826       0.002
  -0.27501910  0.13750955  0.04583652       0.002
  -0.04583652 -0.13750955  0.27501910       0.002
   0.11459129 -0.02291826 -0.20626432       0.002
  -0.02291826  0.20626432 -0.11459129       0.002
  -0.11459129  0.20626432  0.02291826       0.002
   0.02291826  0.11459129 -0.20626432       0.002
   0.04583652 -0.27501910  0.13750955       0.002
  -0.22918258  0.04583652  0.13750955       0.002
   0.13750955 -0.22918258  0.04583652       0.002
   0.04583652  0.13750955 -0.22918258       0.002
   0.25210084 -0.16042781 -0.02291826       0.002
  -0.02291826  0.25210084 -0.16042781       0.002
  -0.16042781 -0.02291826  0.25210084       0.002
  -0.09167303 -0.00000000  0.22918258       0.002
   0.25210084 -0.02291826 -0.16042781       0.002
  -0.22918258  0.09167303  0.00000000       0.002
  -0.00000000 -0.09167303  0.22918258       0.002
  -0.22918258  0.00000000  0.09167303       0.002
  -0.16042781  0.25210084 -0.02291826       0.002
   0.00000000 -0.22918258  0.09167303       0.002
   0.09167303 -0.22918258  0.00000000       0.002
  -0.02291826 -0.16042781  0.25210084       0.002
   0.22918258 -0.13750955  0.00000000       0.002
   0.00000000  0.22918258 -0.13750955       0.002
  -0.13750955  0.00000000  0.22918258       0.002
  -0.11459129 -0.02291826  0.25210084       0.002
   0.02291826 -0.25210084  0.11459129       0.002
   0.00000000 -0.13750955  0.22918258       0.002
  -0.25210084  0.02291826  0.11459129       0.002
  -0.11459129  0.25210084 -0.02291826       0.002
   0.22918258  0.00000000 -0.13750955       0.002
   0.25210084 -0.11459129 -0.02291826       0.002
  -0.02291826 -0.11459129  0.25210084       0.002
  -0.13750955  0.22918258  0.00000000       0.002
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.001
   0.09090909  0.00000000  0.00000000       0.002
   0.00000000  0.09090909  0.00000000       0.002
   0.00000000  0.00000000  0.09090909       0.002
   0.09090909  0.09090909  0.09090909       0.002
   0.18181818  0.00000000  0.00000000       0.002
   0.00000000  0.18181818  0.00000000       0.002
   0.00000000  0.00000000  0.18181818       0.002
   0.18181818  0.18181818  0.18181818       0.002
   0.27272727  0.00000000  0.00000000       0.002
   0.00000000  0.27272727  0.00000000       0.002
   0.00000000  0.00000000  0.27272727       0.002
   0.27272727  0.27272727  0.27272727       0.002
   0.36363636  0.00000000  0.00000000       0.002
   0.00000000  0.36363636  0.00000000       0.002
   0.00000000  0.00000000  0.36363636       0.002
   0.36363636  0.36363636  0.36363636       0.002
   0.45454545  0.00000000  0.00000000       0.002
   0.00000000  0.45454545  0.00000000       0.002
   0.00000000  0.00000000  0.45454545       0.002
   0.45454545  0.45454545  0.45454545       0.002
   0.09090909  0.09090909  0.00000000       0.002
   0.00000000  0.09090909  0.09090909       0.002
   0.09090909  0.00000000  0.09090909       0.002
   0.18181818  0.09090909  0.00000000       0.002
   0.00000000  0.18181818  0.09090909       0.002
   0.09090909  0.00000000  0.18181818       0.002
   0.09090909  0.09090909 -0.09090909       0.002
   0.18181818  0.09090909  0.18181818       0.002
   0.09090909  0.18181818  0.00000000       0.002
   0.09090909 -0.09090909 -0.09090909       0.002
   0.18181818  0.18181818  0.09090909       0.002
   0.00000000  0.09090909  0.18181818       0.002
  -0.09090909  0.09090909 -0.09090909       0.002
   0.09090909  0.18181818  0.18181818       0.002
   0.18181818  0.00000000  0.09090909       0.002
   0.27272727  0.09090909  0.00000000       0.002
   0.00000000  0.27272727  0.09090909       0.002
   0.09090909  0.00000000  0.27272727       0.002
   0.09090909  0.09090909 -0.18181818       0.002
   0.27272727  0.18181818  0.27272727       0.002
   0.09090909  0.27272727  0.00000000       0.002
   0.18181818 -0.09090909 -0.09090909       0.002
   0.27272727  0.27272727  0.18181818       0.002
   0.00000000  0.09090909  0.27272727       0.002
  -0.09090909  0.18181818 -0.09090909       0.002
   0.18181818  0.27272727  0.27272727       0.002
   0.27272727  0.00000000  0.09090909       0.002
   0.36363636  0.09090909  0.00000000       0.002
   0.00000000  0.36363636  0.09090909       0.002
   0.09090909  0.00000000  0.36363636       0.002
   0.09090909  0.09090909 -0.27272727       0.002
   0.36363636  0.27272727  0.36363636       0.002
   0.09090909  0.36363636  0.00000000       0.002
   0.27272727 -0.09090909 -0.09090909       0.002
   0.36363636  0.36363636  0.27272727       0.002
   0.00000000  0.09090909  0.36363636       0.002
  -0.09090909  0.27272727 -0.09090909       0.002
   0.27272727  0.36363636  0.36363636       0.002
   0.36363636  0.00000000  0.09090909       0.002
   0.45454545  0.09090909  0.00000000       0.002
   0.00000000  0.45454545  0.09090909       0.002
   0.09090909  0.00000000  0.45454545       0.002
   0.09090909  0.09090909 -0.36363636       0.002
   0.45454545  0.36363636  0.45454545       0.002
   0.09090909  0.45454545  0.00000000       0.002
   0.36363636 -0.09090909 -0.09090909       0.002
   0.45454545  0.45454545  0.36363636       0.002
   0.00000000  0.09090909  0.45454545       0.002
  -0.09090909  0.36363636 -0.09090909       0.002
   0.36363636  0.45454545  0.45454545       0.002
   0.45454545  0.00000000  0.09090909       0.002
  -0.45454545  0.09090909  0.00000000       0.002
   0.00000000 -0.45454545  0.09090909       0.002
   0.09090909  0.00000000 -0.45454545       0.002
   0.09090909  0.09090909 -0.45454545       0.002
  -0.45454545  0.45454545 -0.45454545       0.002
   0.09090909 -0.45454545  0.00000000       0.002
   0.45454545 -0.09090909 -0.09090909       0.002
  -0.45454545 -0.45454545  0.45454545       0.002
   0.00000000  0.09090909 -0.45454545       0.002
  -0.09090909  0.45454545 -0.09090909       0.002
   0.45454545 -0.45454545 -0.45454545       0.002
  -0.45454545  0.00000000  0.09090909       0.002
  -0.36363636  0.09090909  0.00000000       0.002
   0.00000000 -0.36363636  0.09090909       0.002
   0.09090909  0.00000000 -0.36363636       0.002
   0.09090909  0.09090909  0.45454545       0.002
  -0.36363636 -0.45454545 -0.36363636       0.002
   0.09090909 -0.36363636  0.00000000       0.002
  -0.45454545 -0.09090909 -0.09090909       0.002
  -0.36363636 -0.36363636 -0.45454545       0.002
   0.00000000  0.09090909 -0.36363636       0.002
  -0.09090909 -0.45454545 -0.09090909       0.002
  -0.45454545 -0.36363636 -0.36363636       0.002
  -0.36363636  0.00000000  0.09090909       0.002
  -0.27272727  0.09090909  0.00000000       0.002
   0.00000000 -0.27272727  0.09090909       0.002
   0.09090909  0.00000000 -0.27272727       0.002
   0.09090909  0.09090909  0.36363636       0.002
  -0.27272727 -0.36363636 -0.27272727       0.002
   0.09090909 -0.27272727  0.00000000       0.002
  -0.36363636 -0.09090909 -0.09090909       0.002
  -0.27272727 -0.27272727 -0.36363636       0.002
   0.00000000  0.09090909 -0.27272727       0.002
  -0.09090909 -0.36363636 -0.09090909       0.002
  -0.36363636 -0.27272727 -0.27272727       0.002
  -0.27272727  0.00000000  0.09090909       0.002
  -0.18181818  0.09090909  0.00000000       0.002
   0.00000000 -0.18181818  0.09090909       0.002
   0.09090909  0.00000000 -0.18181818       0.002
   0.09090909  0.09090909  0.27272727       0.002
  -0.18181818 -0.27272727 -0.18181818       0.002
   0.09090909 -0.18181818  0.00000000       0.002
  -0.27272727 -0.09090909 -0.09090909       0.002
  -0.18181818 -0.18181818 -0.27272727       0.002
   0.00000000  0.09090909 -0.18181818       0.002
  -0.09090909 -0.27272727 -0.09090909       0.002
  -0.27272727 -0.18181818 -0.18181818       0.002
  -0.18181818  0.00000000  0.09090909       0.002
  -0.09090909  0.09090909  0.00000000       0.002
   0.00000000 -0.09090909  0.09090909       0.002
   0.09090909  0.00000000 -0.09090909       0.002
   0.09090909  0.09090909  0.18181818       0.002
  -0.09090909 -0.18181818 -0.09090909       0.002
  -0.18181818 -0.09090909 -0.09090909       0.002
   0.18181818  0.18181818  0.00000000       0.002
   0.00000000  0.18181818  0.18181818       0.002
   0.18181818  0.00000000  0.18181818       0.002
   0.27272727  0.18181818  0.00000000       0.002
   0.00000000  0.27272727  0.18181818       0.002
   0.18181818  0.00000000  0.27272727       0.002
   0.18181818  0.18181818 -0.09090909       0.002
   0.27272727  0.09090909  0.27272727       0.002
   0.18181818  0.27272727  0.00000000       0.002
   0.09090909 -0.18181818 -0.18181818       0.002
   0.27272727  0.27272727  0.09090909       0.002
   0.00000000  0.18181818  0.27272727       0.002
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   0.36363636 -0.09090909 -0.27272727       0.002
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   0.45454545  0.18181818 -0.27272727       0.002
   0.45454545  0.27272727 -0.27272727       0.002
  -0.27272727  0.27272727 -0.45454545       0.002
   0.18181818  0.45454545 -0.27272727       0.002
   0.27272727 -0.27272727 -0.45454545       0.002
   0.45454545 -0.27272727  0.27272727       0.002
  -0.27272727  0.18181818  0.45454545       0.002
  -0.27272727  0.45454545  0.27272727       0.002
   0.27272727  0.45454545 -0.27272727       0.002
   0.45454545 -0.27272727  0.18181818       0.002
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:     283
 k-point   2 :   0.0909 0.0000 0.0000  plane waves:     286
 k-point   3 :   0.0000 0.0909 0.0000  plane waves:     286
 k-point   4 :   0.0000 0.0000 0.0909  plane waves:     286
 k-point   5 :   0.0909 0.0909 0.0909  plane waves:     286
 k-point   6 :   0.1818 0.0000 0.0000  plane waves:     289
 k-point   7 :   0.0000 0.1818 0.0000  plane waves:     289
 k-point   8 :   0.0000 0.0000 0.1818  plane waves:     289
 k-point   9 :   0.1818 0.1818 0.1818  plane waves:     289
 k-point  10 :   0.2727 0.0000 0.0000  plane waves:     290
 k-point  11 :   0.0000 0.2727 0.0000  plane waves:     290
 k-point  12 :   0.0000 0.0000 0.2727  plane waves:     290
 k-point  13 :   0.2727 0.2727 0.2727  plane waves:     290
 k-point  14 :   0.3636 0.0000 0.0000  plane waves:     281
 k-point  15 :   0.0000 0.3636 0.0000  plane waves:     281
 k-point  16 :   0.0000 0.0000 0.3636  plane waves:     281
 k-point  17 :   0.3636 0.3636 0.3636  plane waves:     281
 k-point  18 :   0.4545 0.0000 0.0000  plane waves:     272
 k-point  19 :   0.0000 0.4545 0.0000  plane waves:     272
 k-point  20 :   0.0000 0.0000 0.4545  plane waves:     272
 k-point  21 :   0.4545 0.4545 0.4545  plane waves:     272
 k-point  22 :   0.0909 0.0909 0.0000  plane waves:     283
 k-point  23 :   0.0000 0.0909 0.0909  plane waves:     283
 k-point  24 :   0.0909 0.0000 0.0909  plane waves:     283
 k-point  25 :   0.1818 0.0909 0.0000  plane waves:     293
 k-point  26 :   0.0000 0.1818 0.0909  plane waves:     293
 k-point  27 :   0.0909 0.0000 0.1818  plane waves:     293
 k-point  28 :   0.0909 0.0909-0.0909  plane waves:     293
 k-point  29 :   0.1818 0.0909 0.1818  plane waves:     293
 k-point  30 :   0.0909 0.1818 0.0000  plane waves:     293
 k-point  31 :   0.0909-0.0909-0.0909  plane waves:     293
 k-point  32 :   0.1818 0.1818 0.0909  plane waves:     293
 k-point  33 :   0.0000 0.0909 0.1818  plane waves:     293
 k-point  34 :  -0.0909 0.0909-0.0909  plane waves:     293
 k-point  35 :   0.0909 0.1818 0.1818  plane waves:     293
 k-point  36 :   0.1818 0.0000 0.0909  plane waves:     293
 k-point  37 :   0.2727 0.0909 0.0000  plane waves:     293
 k-point  38 :   0.0000 0.2727 0.0909  plane waves:     293
 k-point  39 :   0.0909 0.0000 0.2727  plane waves:     293
 k-point  40 :   0.0909 0.0909-0.1818  plane waves:     293
 k-point  41 :   0.2727 0.1818 0.2727  plane waves:     293
 k-point  42 :   0.0909 0.2727 0.0000  plane waves:     293
 k-point  43 :   0.1818-0.0909-0.0909  plane waves:     293
 k-point  44 :   0.2727 0.2727 0.1818  plane waves:     293
 k-point  45 :   0.0000 0.0909 0.2727  plane waves:     293
 k-point  46 :  -0.0909 0.1818-0.0909  plane waves:     293
 k-point  47 :   0.1818 0.2727 0.2727  plane waves:     293
 k-point  48 :   0.2727 0.0000 0.0909  plane waves:     293
 k-point  49 :   0.3636 0.0909 0.0000  plane waves:     290
 k-point  50 :   0.0000 0.3636 0.0909  plane waves:     290
 k-point  51 :   0.0909 0.0000 0.3636  plane waves:     290
 k-point  52 :   0.0909 0.0909-0.2727  plane waves:     290
 k-point  53 :   0.3636 0.2727 0.3636  plane waves:     290
 k-point  54 :   0.0909 0.3636 0.0000  plane waves:     290
 k-point  55 :   0.2727-0.0909-0.0909  plane waves:     290
 k-point  56 :   0.3636 0.3636 0.2727  plane waves:     290
 k-point  57 :   0.0000 0.0909 0.3636  plane waves:     290
 k-point  58 :  -0.0909 0.2727-0.0909  plane waves:     290
 k-point  59 :   0.2727 0.3636 0.3636  plane waves:     290
 k-point  60 :   0.3636 0.0000 0.0909  plane waves:     290
 k-point  61 :   0.4545 0.0909 0.0000  plane waves:     281
 k-point  62 :   0.0000 0.4545 0.0909  plane waves:     281
 k-point  63 :   0.0909 0.0000 0.4545  plane waves:     281
 k-point  64 :   0.0909 0.0909-0.3636  plane waves:     281
 k-point  65 :   0.4545 0.3636 0.4545  plane waves:     281
 k-point  66 :   0.0909 0.4545 0.0000  plane waves:     281
 k-point  67 :   0.3636-0.0909-0.0909  plane waves:     281
 k-point  68 :   0.4545 0.4545 0.3636  plane waves:     281
 k-point  69 :   0.0000 0.0909 0.4545  plane waves:     281
 k-point  70 :  -0.0909 0.3636-0.0909  plane waves:     281
 k-point  71 :   0.3636 0.4545 0.4545  plane waves:     281
 k-point  72 :   0.4545 0.0000 0.0909  plane waves:     281
 k-point  73 :  -0.4545 0.0909 0.0000  plane waves:     283
 k-point  74 :   0.0000-0.4545 0.0909  plane waves:     283
 k-point  75 :   0.0909 0.0000-0.4545  plane waves:     283
 k-point  76 :   0.0909 0.0909-0.4545  plane waves:     283
 k-point  77 :  -0.4545 0.4545-0.4545  plane waves:     283
 k-point  78 :   0.0909-0.4545 0.0000  plane waves:     283
 k-point  79 :   0.4545-0.0909-0.0909  plane waves:     283
 k-point  80 :  -0.4545-0.4545 0.4545  plane waves:     283
 k-point  81 :   0.0000 0.0909-0.4545  plane waves:     283
 k-point  82 :  -0.0909 0.4545-0.0909  plane waves:     283
 k-point  83 :   0.4545-0.4545-0.4545  plane waves:     283
 k-point  84 :  -0.4545 0.0000 0.0909  plane waves:     283
 k-point  85 :  -0.3636 0.0909 0.0000  plane waves:     277
 k-point  86 :   0.0000-0.3636 0.0909  plane waves:     277
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 k-point 388 :   0.4545-0.0909-0.1818  plane waves:     281
 k-point 389 :  -0.1818 0.4545-0.0909  plane waves:     281
 k-point 390 :  -0.0909-0.1818 0.4545  plane waves:     281
 k-point 391 :   0.3636 0.2727 0.0909  plane waves:     287
 k-point 392 :   0.0909 0.3636 0.2727  plane waves:     287
 k-point 393 :   0.2727 0.0909 0.3636  plane waves:     287
 k-point 394 :   0.2727 0.1818-0.0909  plane waves:     287
 k-point 395 :   0.3636 0.0909 0.2727  plane waves:     287
 k-point 396 :   0.0909-0.2727-0.1818  plane waves:     287
 k-point 397 :   0.1818 0.2727-0.0909  plane waves:     287
 k-point 398 :   0.0909-0.1818-0.2727  plane waves:     287
 k-point 399 :   0.2727 0.3636 0.0909  plane waves:     287
 k-point 400 :  -0.1818 0.0909-0.2727  plane waves:     287
 k-point 401 :  -0.2727 0.0909-0.1818  plane waves:     287
 k-point 402 :   0.0909 0.2727 0.3636  plane waves:     287
 k-point 403 :   0.4545 0.2727 0.0909  plane waves:     277
 k-point 404 :   0.0909 0.4545 0.2727  plane waves:     277
 k-point 405 :   0.2727 0.0909 0.4545  plane waves:     277
 k-point 406 :   0.2727 0.1818-0.1818  plane waves:     277
 k-point 407 :   0.4545 0.1818 0.3636  plane waves:     277
 k-point 408 :   0.0909-0.3636-0.1818  plane waves:     277
 k-point 409 :   0.1818 0.3636-0.0909  plane waves:     277
 k-point 410 :   0.1818-0.1818-0.2727  plane waves:     277
 k-point 411 :  -0.3636-0.1818-0.4545  plane waves:     277
 k-point 412 :   0.3636 0.4545 0.1818  plane waves:     277
 k-point 413 :  -0.1818 0.0909-0.3636  plane waves:     277
 k-point 414 :  -0.1818 0.2727 0.1818  plane waves:     277
 k-point 415 :  -0.0909 0.1818 0.3636  plane waves:     277
 k-point 416 :  -0.2727 0.1818-0.1818  plane waves:     277
 k-point 417 :  -0.4545-0.3636-0.1818  plane waves:     277
 k-point 418 :   0.1818 0.3636 0.4545  plane waves:     277
 k-point 419 :  -0.3636-0.1818 0.0909  plane waves:     277
 k-point 420 :   0.1818-0.1818 0.2727  plane waves:     277
 k-point 421 :   0.3636-0.0909 0.1818  plane waves:     277
 k-point 422 :  -0.1818-0.2727 0.1818  plane waves:     277
 k-point 423 :  -0.1818-0.4545-0.3636  plane waves:     277
 k-point 424 :  -0.4545-0.0909-0.2727  plane waves:     277
 k-point 425 :  -0.2727-0.4545-0.0909  plane waves:     277
 k-point 426 :  -0.0909-0.2727-0.4545  plane waves:     277
 k-point 427 :  -0.4545 0.2727 0.0909  plane waves:     281
 k-point 428 :   0.0909-0.4545 0.2727  plane waves:     281
 k-point 429 :   0.2727 0.0909-0.4545  plane waves:     281
 k-point 430 :   0.2727 0.1818-0.2727  plane waves:     281
 k-point 431 :  -0.4545 0.2727 0.4545  plane waves:     281
 k-point 432 :   0.0909-0.4545-0.1818  plane waves:     281
 k-point 433 :   0.1818 0.4545-0.0909  plane waves:     281
 k-point 434 :   0.2727-0.1818-0.2727  plane waves:     281
 k-point 435 :  -0.4545-0.2727 0.4545  plane waves:     281
 k-point 436 :   0.4545-0.4545 0.2727  plane waves:     281
 k-point 437 :  -0.1818 0.0909-0.4545  plane waves:     281
 k-point 438 :  -0.2727 0.2727 0.1818  plane waves:     281
 k-point 439 :  -0.0909 0.1818 0.4545  plane waves:     281
 k-point 440 :  -0.2727 0.2727-0.1818  plane waves:     281
 k-point 441 :   0.4545-0.4545-0.2727  plane waves:     281
 k-point 442 :   0.2727 0.4545-0.4545  plane waves:     281
 k-point 443 :  -0.4545-0.1818 0.0909  plane waves:     281
 k-point 444 :   0.1818-0.2727 0.2727  plane waves:     281
 k-point 445 :   0.4545-0.0909 0.1818  plane waves:     281
 k-point 446 :  -0.1818-0.2727 0.2727  plane waves:     281
 k-point 447 :  -0.2727 0.4545-0.4545  plane waves:     281
 k-point 448 :   0.4545-0.0909-0.2727  plane waves:     281
 k-point 449 :  -0.2727 0.4545-0.0909  plane waves:     281
 k-point 450 :  -0.0909-0.2727 0.4545  plane waves:     281
 k-point 451 :  -0.3636 0.2727 0.0909  plane waves:     280
 k-point 452 :   0.0909-0.3636 0.2727  plane waves:     280
 k-point 453 :   0.2727 0.0909-0.3636  plane waves:     280
 k-point 454 :   0.2727 0.1818-0.3636  plane waves:     280
 k-point 455 :  -0.3636 0.3636-0.4545  plane waves:     280
 k-point 456 :   0.0909 0.4545-0.1818  plane waves:     280
 k-point 457 :   0.1818-0.4545-0.0909  plane waves:     280
 k-point 458 :   0.3636-0.1818-0.2727  plane waves:     280
 k-point 459 :   0.4545-0.3636 0.3636  plane waves:     280
 k-point 460 :  -0.4545-0.3636 0.3636  plane waves:     280
 k-point 461 :  -0.1818 0.0909 0.4545  plane waves:     280
 k-point 462 :  -0.3636 0.2727 0.1818  plane waves:     280
 k-point 463 :  -0.0909 0.1818-0.4545  plane waves:     280
 k-point 464 :  -0.2727 0.3636-0.1818  plane waves:     280
 k-point 465 :   0.3636 0.4545-0.3636  plane waves:     280
 k-point 466 :   0.3636-0.4545-0.3636  plane waves:     280
 k-point 467 :   0.4545-0.1818 0.0909  plane waves:     280
 k-point 468 :   0.1818-0.3636 0.2727  plane waves:     280
 k-point 469 :  -0.4545-0.0909 0.1818  plane waves:     280
 k-point 470 :  -0.1818-0.2727 0.3636  plane waves:     280
 k-point 471 :  -0.3636 0.3636 0.4545  plane waves:     280
 k-point 472 :   0.3636-0.0909-0.2727  plane waves:     280
 k-point 473 :  -0.2727 0.3636-0.0909  plane waves:     280
 k-point 474 :  -0.0909-0.2727 0.3636  plane waves:     280
 k-point 475 :  -0.2727 0.2727 0.0909  plane waves:     281
 k-point 476 :   0.0909-0.2727 0.2727  plane waves:     281
 k-point 477 :   0.2727 0.0909-0.2727  plane waves:     281
 k-point 478 :   0.2727 0.1818-0.4545  plane waves:     281
 k-point 479 :  -0.2727 0.4545-0.3636  plane waves:     281
 k-point 480 :   0.0909 0.3636-0.1818  plane waves:     281
 k-point 481 :   0.1818-0.3636-0.0909  plane waves:     281
 k-point 482 :   0.4545-0.1818-0.2727  plane waves:     281
 k-point 483 :   0.3636-0.4545 0.2727  plane waves:     281
 k-point 484 :  -0.3636-0.2727 0.4545  plane waves:     281
 k-point 485 :  -0.1818 0.0909 0.3636  plane waves:     281
 k-point 486 :  -0.4545 0.2727 0.1818  plane waves:     281
 k-point 487 :  -0.0909 0.1818-0.3636  plane waves:     281
 k-point 488 :  -0.2727 0.4545-0.1818  plane waves:     281
 k-point 489 :   0.2727 0.3636-0.4545  plane waves:     281
 k-point 490 :   0.4545-0.3636-0.2727  plane waves:     281
 k-point 491 :   0.3636-0.1818 0.0909  plane waves:     281
 k-point 492 :   0.1818-0.4545 0.2727  plane waves:     281
 k-point 493 :  -0.3636-0.0909 0.1818  plane waves:     281
 k-point 494 :  -0.1818-0.2727 0.4545  plane waves:     281
 k-point 495 :  -0.4545 0.2727 0.3636  plane waves:     281
 k-point 496 :   0.2727-0.0909-0.2727  plane waves:     281
 k-point 497 :  -0.2727 0.2727-0.0909  plane waves:     281
 k-point 498 :  -0.0909-0.2727 0.2727  plane waves:     281
 k-point 499 :  -0.1818 0.2727 0.0909  plane waves:     280
 k-point 500 :   0.0909-0.1818 0.2727  plane waves:     280
 k-point 501 :   0.2727 0.0909-0.1818  plane waves:     280
 k-point 502 :   0.2727 0.1818 0.4545  plane waves:     280
 k-point 503 :  -0.1818-0.4545-0.2727  plane waves:     280
 k-point 504 :   0.0909 0.2727-0.1818  plane waves:     280
 k-point 505 :  -0.4545-0.1818-0.2727  plane waves:     280
 k-point 506 :   0.2727 0.4545 0.1818  plane waves:     280
 k-point 507 :  -0.1818 0.0909 0.2727  plane waves:     280
 k-point 508 :   0.4545 0.2727 0.1818  plane waves:     280
 k-point 509 :   0.1818 0.2727 0.4545  plane waves:     280
 k-point 510 :   0.2727-0.1818 0.0909  plane waves:     280
 k-point 511 :   0.4545 0.3636 0.0909  plane waves:     289
 k-point 512 :   0.0909 0.4545 0.3636  plane waves:     289
 k-point 513 :   0.3636 0.0909 0.4545  plane waves:     289
 k-point 514 :   0.3636 0.2727-0.0909  plane waves:     289
 k-point 515 :   0.4545 0.0909 0.3636  plane waves:     289
 k-point 516 :   0.0909-0.3636-0.2727  plane waves:     289
 k-point 517 :   0.2727 0.3636-0.0909  plane waves:     289
 k-point 518 :   0.0909-0.2727-0.3636  plane waves:     289
 k-point 519 :   0.3636 0.4545 0.0909  plane waves:     289
 k-point 520 :  -0.2727 0.0909-0.3636  plane waves:     289
 k-point 521 :  -0.3636 0.0909-0.2727  plane waves:     289
 k-point 522 :   0.0909 0.3636 0.4545  plane waves:     289
 k-point 523 :  -0.4545 0.3636 0.0909  plane waves:     284
 k-point 524 :   0.0909-0.4545 0.3636  plane waves:     284
 k-point 525 :   0.3636 0.0909-0.4545  plane waves:     284
 k-point 526 :   0.3636 0.2727-0.1818  plane waves:     284
 k-point 527 :  -0.4545 0.1818 0.4545  plane waves:     284
 k-point 528 :   0.0909-0.4545-0.2727  plane waves:     284
 k-point 529 :   0.2727 0.4545-0.0909  plane waves:     284
 k-point 530 :   0.1818-0.2727-0.3636  plane waves:     284
 k-point 531 :  -0.4545-0.1818 0.4545  plane waves:     284
 k-point 532 :   0.4545-0.4545 0.1818  plane waves:     284
 k-point 533 :  -0.2727 0.0909-0.4545  plane waves:     284
 k-point 534 :  -0.1818 0.3636 0.2727  plane waves:     284
 k-point 535 :  -0.0909 0.2727 0.4545  plane waves:     284
 k-point 536 :  -0.3636 0.1818-0.2727  plane waves:     284
 k-point 537 :   0.4545-0.4545-0.1818  plane waves:     284
 k-point 538 :   0.1818 0.4545-0.4545  plane waves:     284
 k-point 539 :  -0.4545-0.2727 0.0909  plane waves:     284
 k-point 540 :   0.2727-0.1818 0.3636  plane waves:     284
 k-point 541 :   0.4545-0.0909 0.2727  plane waves:     284
 k-point 542 :  -0.2727-0.3636 0.1818  plane waves:     284
 k-point 543 :  -0.1818 0.4545-0.4545  plane waves:     284
 k-point 544 :   0.4545-0.0909-0.3636  plane waves:     284
 k-point 545 :  -0.3636 0.4545-0.0909  plane waves:     284
 k-point 546 :  -0.0909-0.3636 0.4545  plane waves:     284
 k-point 547 :  -0.3636 0.3636 0.0909  plane waves:     281
 k-point 548 :   0.0909-0.3636 0.3636  plane waves:     281
 k-point 549 :   0.3636 0.0909-0.3636  plane waves:     281
 k-point 550 :   0.3636 0.2727-0.2727  plane waves:     281
 k-point 551 :  -0.3636 0.2727-0.4545  plane waves:     281
 k-point 552 :   0.0909 0.4545-0.2727  plane waves:     281
 k-point 553 :   0.2727-0.4545-0.0909  plane waves:     281
 k-point 554 :   0.2727-0.2727-0.3636  plane waves:     281
 k-point 555 :   0.4545-0.2727 0.3636  plane waves:     281
 k-point 556 :  -0.4545-0.3636 0.2727  plane waves:     281
 k-point 557 :  -0.2727 0.0909 0.4545  plane waves:     281
 k-point 558 :  -0.2727 0.3636 0.2727  plane waves:     281
 k-point 559 :  -0.0909 0.2727-0.4545  plane waves:     281
 k-point 560 :  -0.3636 0.2727-0.2727  plane waves:     281
 k-point 561 :   0.3636 0.4545-0.2727  plane waves:     281
 k-point 562 :   0.2727-0.4545-0.3636  plane waves:     281
 k-point 563 :   0.4545-0.2727 0.0909  plane waves:     281
 k-point 564 :   0.2727-0.2727 0.3636  plane waves:     281
 k-point 565 :  -0.4545-0.0909 0.2727  plane waves:     281
 k-point 566 :  -0.2727-0.3636 0.2727  plane waves:     281
 k-point 567 :  -0.2727 0.3636 0.4545  plane waves:     281
 k-point 568 :   0.3636-0.0909-0.3636  plane waves:     281
 k-point 569 :  -0.3636 0.3636-0.0909  plane waves:     281
 k-point 570 :  -0.0909-0.3636 0.3636  plane waves:     281
 k-point 571 :  -0.2727 0.3636 0.0909  plane waves:     278
 k-point 572 :   0.0909-0.2727 0.3636  plane waves:     278
 k-point 573 :   0.3636 0.0909-0.2727  plane waves:     278
 k-point 574 :   0.3636 0.2727-0.3636  plane waves:     278
 k-point 575 :  -0.2727 0.3636-0.3636  plane waves:     278
 k-point 576 :   0.0909 0.3636-0.2727  plane waves:     278
 k-point 577 :   0.3636-0.2727-0.3636  plane waves:     278
 k-point 578 :   0.3636-0.3636 0.2727  plane waves:     278
 k-point 579 :  -0.2727 0.0909 0.3636  plane waves:     278
 k-point 580 :  -0.3636 0.3636 0.2727  plane waves:     278
 k-point 581 :   0.2727 0.3636-0.3636  plane waves:     278
 k-point 582 :   0.3636-0.2727 0.0909  plane waves:     278
 k-point 583 :  -0.4545 0.4545 0.0909  plane waves:     281
 k-point 584 :   0.0909-0.4545 0.4545  plane waves:     281
 k-point 585 :   0.4545 0.0909-0.4545  plane waves:     281
 k-point 586 :   0.4545 0.3636-0.0909  plane waves:     281
 k-point 587 :  -0.4545 0.0909 0.4545  plane waves:     281
 k-point 588 :   0.0909-0.4545-0.3636  plane waves:     281
 k-point 589 :   0.3636 0.4545-0.0909  plane waves:     281
 k-point 590 :   0.0909-0.3636-0.4545  plane waves:     281
 k-point 591 :   0.4545-0.4545 0.0909  plane waves:     281
 k-point 592 :  -0.3636 0.0909-0.4545  plane waves:     281
 k-point 593 :  -0.4545 0.0909-0.3636  plane waves:     281
 k-point 594 :   0.0909 0.4545-0.4545  plane waves:     281
 k-point 595 :  -0.3636 0.4545 0.0909  plane waves:     284
 k-point 596 :   0.0909-0.3636 0.4545  plane waves:     284
 k-point 597 :   0.4545 0.0909-0.3636  plane waves:     284
 k-point 598 :   0.4545 0.3636-0.1818  plane waves:     284
 k-point 599 :  -0.3636 0.1818-0.4545  plane waves:     284
 k-point 600 :   0.0909 0.4545-0.3636  plane waves:     284
 k-point 601 :   0.1818-0.3636-0.4545  plane waves:     284
 k-point 602 :   0.4545-0.1818 0.3636  plane waves:     284
 k-point 603 :  -0.3636 0.0909 0.4545  plane waves:     284
 k-point 604 :  -0.1818 0.4545 0.3636  plane waves:     284
 k-point 605 :   0.3636 0.4545-0.1818  plane waves:     284
 k-point 606 :   0.4545-0.3636 0.0909  plane waves:     284
 k-point 607 :  -0.4545 0.3636 0.1818  plane waves:     281
 k-point 608 :   0.1818-0.4545 0.3636  plane waves:     281
 k-point 609 :   0.3636 0.1818-0.4545  plane waves:     281
 k-point 610 :   0.3636 0.1818-0.1818  plane waves:     281
 k-point 611 :  -0.4545 0.1818 0.3636  plane waves:     281
 k-point 612 :   0.1818-0.3636-0.1818  plane waves:     281
 k-point 613 :   0.1818 0.3636-0.1818  plane waves:     281
 k-point 614 :   0.1818-0.1818-0.3636  plane waves:     281
 k-point 615 :   0.3636-0.4545 0.1818  plane waves:     281
 k-point 616 :  -0.1818 0.1818-0.3636  plane waves:     281
 k-point 617 :  -0.3636 0.1818-0.1818  plane waves:     281
 k-point 618 :   0.1818 0.3636-0.4545  plane waves:     281
 k-point 619 :  -0.3636 0.3636 0.1818  plane waves:     279
 k-point 620 :   0.1818-0.3636 0.3636  plane waves:     279
 k-point 621 :   0.3636 0.1818-0.3636  plane waves:     279
 k-point 622 :   0.3636 0.1818-0.2727  plane waves:     279
 k-point 623 :  -0.3636 0.2727 0.4545  plane waves:     279
 k-point 624 :   0.1818-0.4545-0.1818  plane waves:     279
 k-point 625 :   0.1818 0.4545-0.1818  plane waves:     279
 k-point 626 :   0.2727-0.1818-0.3636  plane waves:     279
 k-point 627 :  -0.4545-0.2727 0.3636  plane waves:     279
 k-point 628 :   0.4545-0.3636 0.2727  plane waves:     279
 k-point 629 :  -0.1818 0.1818-0.4545  plane waves:     279
 k-point 630 :  -0.2727 0.3636 0.1818  plane waves:     279
 k-point 631 :  -0.1818 0.1818 0.4545  plane waves:     279
 k-point 632 :  -0.3636 0.2727-0.1818  plane waves:     279
 k-point 633 :   0.3636-0.4545-0.2727  plane waves:     279
 k-point 634 :   0.2727 0.4545-0.3636  plane waves:     279
 k-point 635 :  -0.4545-0.1818 0.1818  plane waves:     279
 k-point 636 :   0.1818-0.2727 0.3636  plane waves:     279
 k-point 637 :   0.4545-0.1818 0.1818  plane waves:     279
 k-point 638 :  -0.1818-0.3636 0.2727  plane waves:     279
 k-point 639 :  -0.2727 0.3636-0.4545  plane waves:     279
 k-point 640 :   0.3636-0.1818-0.3636  plane waves:     279
 k-point 641 :  -0.3636 0.3636-0.1818  plane waves:     279
 k-point 642 :  -0.1818-0.3636 0.3636  plane waves:     279
 k-point 643 :  -0.3636 0.4545 0.1818  plane waves:     278
 k-point 644 :   0.1818-0.3636 0.4545  plane waves:     278
 k-point 645 :   0.4545 0.1818-0.3636  plane waves:     278
 k-point 646 :   0.4545 0.2727-0.1818  plane waves:     278
 k-point 647 :  -0.3636 0.1818 0.4545  plane waves:     278
 k-point 648 :   0.1818-0.4545-0.2727  plane waves:     278
 k-point 649 :   0.2727 0.4545-0.1818  plane waves:     278
 k-point 650 :   0.1818-0.2727-0.4545  plane waves:     278
 k-point 651 :   0.4545-0.3636 0.1818  plane waves:     278
 k-point 652 :  -0.2727 0.1818-0.4545  plane waves:     278
 k-point 653 :  -0.4545 0.1818-0.2727  plane waves:     278
 k-point 654 :   0.1818 0.4545-0.3636  plane waves:     278
 k-point 655 :  -0.2727 0.4545 0.1818  plane waves:     272
 k-point 656 :   0.1818-0.2727 0.4545  plane waves:     272
 k-point 657 :   0.4545 0.1818-0.2727  plane waves:     272
 k-point 658 :   0.4545 0.2727-0.2727  plane waves:     272
 k-point 659 :  -0.2727 0.2727-0.4545  plane waves:     272
 k-point 660 :   0.1818 0.4545-0.2727  plane waves:     272
 k-point 661 :   0.2727-0.2727-0.4545  plane waves:     272
 k-point 662 :   0.4545-0.2727 0.2727  plane waves:     272
 k-point 663 :  -0.2727 0.1818 0.4545  plane waves:     272
 k-point 664 :  -0.2727 0.4545 0.2727  plane waves:     272
 k-point 665 :   0.2727 0.4545-0.2727  plane waves:     272
 k-point 666 :   0.4545-0.2727 0.1818  plane waves:     272

 maximum and minimum number of plane-waves per node :        81       57

 maximum number of plane-waves:       295
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=    5
   IXMIN=   -5   IYMIN=   -5   IZMIN=   -5


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


 FFT grid for exact exchange (Hartree Fock) 
  NGX = 14; NGY = 14; NGZ = 14

 
 Radii for the augmentation spheres in the non-local exchange
 for species   1 augmentation radius   1.301 (default was   1.041)
       energy cutoff for augmentation   1600.0

 real space projection operators:
  total allocation   :        112.57 KBytes
  max/ min on nodes  :         34.59         22.22

 Maximum index for augmentation-charges in exchange          467
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0    47429. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       3922. kBytes
   fftplans  :        219. kBytes
   grid      :        424. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:         68. kBytes
   wavefun   :      12786. kBytes
 
     INWAV:  cpu time      0.4476: real time      0.4488
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ =  9
  (NGX  = 36   NGY  = 36   NGZ  = 36)
  gives a total of    729 points

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


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


 Maximum index for augmentation-charges         1285 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.709
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time      0.0013: real time      0.0013


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


vdW kernel read from vdw_kernel.bindat
  0.0000  0.2424  0.5071  0.7962  1.1119  1.4567  1.8333  2.2446  2.6937  3.1842
  3.7199  4.3049  4.9438  5.6415  6.4036  7.2358  8.1446  9.1372 10.2212 11.4050
 12.6979 14.1099 15.6519 17.3360 19.1751 21.1837 23.3773 25.7729 28.3892 31.2465
 34.3669 37.7748 41.4965 45.5611 50.0000
 
    POTLOK:  cpu time      0.4297: real time      0.4311
    SETDIJ:  cpu time      0.7666: real time      0.7680
    TRIAL :  cpu time   1584.0256: real time   1590.4047
    CORREC:  cpu time      0.0099: real time      0.0100
    CHARGE:  cpu time      0.2262: real time      0.2269
    --------------------------------------------
      LOOP:  cpu time   1585.4630: real time   1591.8708

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2734032E+01  (-0.2832389E-01)
 number of electron       3.0000000 magnetization       0.0000048
 augmentation part       -0.0391799 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.11614926
  -exchange      EXHF   =         7.01156308
  -V(xc)+E(xc)   XCENC  =       -16.60538489
  PAW double counting   =       101.38505892      -81.20775033
  entropy T*S    EENTRO =        -0.00156394
  eigenvalues    EBANDS =         8.07400776
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.73403158 eV

  energy without entropy =       -2.73246764  energy(sigma->0) =       -2.73351027
  exchange ACFDT corr.  =        -0.00127882  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0659
    SETDIJ:  cpu time      0.7622: real time      0.7635
    TRIAL :  cpu time   1553.4830: real time   1559.7444
    CORREC:  cpu time      0.0096: real time      0.0097
    CHARGE:  cpu time      0.2271: real time      0.2279
    --------------------------------------------
      LOOP:  cpu time   1554.5479: real time   1560.8117

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2669313E-01  (-0.3762209E-01)
 number of electron       3.0000000 magnetization       0.0000048
 augmentation part       -0.0339753 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.11912983
  -exchange      EXHF   =         7.01369052
  -V(xc)+E(xc)   XCENC  =       -16.60075241
  PAW double counting   =       149.39892509     -129.21887138
  entropy T*S    EENTRO =        -0.00176983
  eigenvalues    EBANDS =         8.04092825
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.76072471 eV

  energy without entropy =       -2.75895489  energy(sigma->0) =       -2.76013477
  exchange ACFDT corr.  =        -0.00145988  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0658
    SETDIJ:  cpu time      0.7625: real time      0.7638
    TRIAL :  cpu time   1552.5339: real time   1558.9235
    CORREC:  cpu time      0.0096: real time      0.0096
    CHARGE:  cpu time      0.2269: real time      0.2277
    --------------------------------------------
      LOOP:  cpu time   1553.5987: real time   1559.9907

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3434688E-01  (-0.3545139E-01)
 number of electron       3.0000000 magnetization       0.0000047
 augmentation part       -0.0283674 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.12354558
  -exchange      EXHF   =         7.01654522
  -V(xc)+E(xc)   XCENC  =       -16.59452601
  PAW double counting   =       288.70163615     -268.51797388
  entropy T*S    EENTRO =        -0.00199138
  eigenvalues    EBANDS =         7.99851335
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.79507159 eV

  energy without entropy =       -2.79308021  energy(sigma->0) =       -2.79440780
  exchange ACFDT corr.  =        -0.00154055  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0659
    SETDIJ:  cpu time      0.7620: real time      0.7633
    TRIAL :  cpu time   1558.0271: real time   1564.4496
    CORREC:  cpu time      0.0097: real time      0.0098
    CHARGE:  cpu time      0.2259: real time      0.2268
    --------------------------------------------
      LOOP:  cpu time   1559.0907: real time   1565.5156

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3199020E-01  (-0.2978718E-01)
 number of electron       3.0000000 magnetization       0.0000047
 augmentation part       -0.0230187 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.12813496
  -exchange      EXHF   =         7.01914854
  -V(xc)+E(xc)   XCENC  =       -16.58883116
  PAW double counting   =       609.05978527     -588.87302169
  entropy T*S    EENTRO =        -0.00219344
  eigenvalues    EBANDS =         7.95993460
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.82706179 eV

  energy without entropy =       -2.82486836  energy(sigma->0) =       -2.82633065
  exchange ACFDT corr.  =        -0.00162824  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0659: real time      0.0662
    SETDIJ:  cpu time      0.7621: real time      0.7634
    TRIAL :  cpu time   1560.7123: real time   1567.1145
    CORREC:  cpu time      0.0094: real time      0.0094
    CHARGE:  cpu time      0.2261: real time      0.2270
    --------------------------------------------
      LOOP:  cpu time   1561.7760: real time   1568.1808

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2691190E-01  (-0.2424666E-01)
 number of electron       3.0000000 magnetization       0.0000046
 augmentation part       -0.0182071 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13195653
  -exchange      EXHF   =         7.02094770
  -V(xc)+E(xc)   XCENC  =       -16.58484254
  PAW double counting   =      1220.71380050    -1200.52529375
  entropy T*S    EENTRO =        -0.00235907
  eigenvalues    EBANDS =         7.92951537
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.85397370 eV

  energy without entropy =       -2.85161462  energy(sigma->0) =       -2.85318734
  exchange ACFDT corr.  =        -0.00170802  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0654: real time      0.0657
    SETDIJ:  cpu time      0.7614: real time      0.7628
    TRIAL :  cpu time   1554.5406: real time   1560.9304
    CORREC:  cpu time      0.0083: real time      0.0083
    CHARGE:  cpu time      0.2254: real time      0.2262
    --------------------------------------------
      LOOP:  cpu time   1555.6014: real time   1561.9937

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2193752E-01  (-0.1924445E-01)
 number of electron       3.0000000 magnetization       0.0000045
 augmentation part       -0.0139830 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13457740
  -exchange      EXHF   =         7.02178530
  -V(xc)+E(xc)   XCENC  =       -16.58280970
  PAW double counting   =      2218.57901742    -2198.39019474
  entropy T*S    EENTRO =        -0.00248486
  eigenvalues    EBANDS =         7.90717800
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.87591121 eV

  energy without entropy =       -2.87342635  energy(sigma->0) =       -2.87508293
  exchange ACFDT corr.  =        -0.00177198  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0658: real time      0.0661
    SETDIJ:  cpu time      0.7614: real time      0.7628
    TRIAL :  cpu time   1554.9201: real time   1561.3419
    CORREC:  cpu time      0.0092: real time      0.0092
    CHARGE:  cpu time      0.2260: real time      0.2269
    --------------------------------------------
      LOOP:  cpu time   1555.9829: real time   1562.4072

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1727387E-01  (-0.1448903E-01)
 number of electron       3.0000000 magnetization       0.0000044
 augmentation part       -0.0103013 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13606450
  -exchange      EXHF   =         7.02181763
  -V(xc)+E(xc)   XCENC  =       -16.58233909
  PAW double counting   =      3659.09078831    -3638.90287975
  entropy T*S    EENTRO =        -0.00257467
  eigenvalues    EBANDS =         7.89192819
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.89318508 eV

  energy without entropy =       -2.89061041  energy(sigma->0) =       -2.89232685
  exchange ACFDT corr.  =        -0.00181783  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0658: real time      0.0661
    SETDIJ:  cpu time      0.7637: real time      0.7651
    TRIAL :  cpu time   1562.9959: real time   1569.4440
    CORREC:  cpu time      0.0094: real time      0.0094
    CHARGE:  cpu time      0.2261: real time      0.2269
    --------------------------------------------
      LOOP:  cpu time   1564.0612: real time   1570.5117

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1280731E-01  (-0.1013922E-01)
 number of electron       3.0000000 magnetization       0.0000043
 augmentation part       -0.0071193 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13677110
  -exchange      EXHF   =         7.02137954
  -V(xc)+E(xc)   XCENC  =       -16.58273414
  PAW double counting   =      5553.97681207    -5533.79045058
  entropy T*S    EENTRO =        -0.00263517
  eigenvalues    EBANDS =         7.88229751
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.90599239 eV

  energy without entropy =       -2.90335721  energy(sigma->0) =       -2.90511400
  exchange ACFDT corr.  =        -0.00184667  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0655: real time      0.0657
    SETDIJ:  cpu time      0.7639: real time      0.7652
    TRIAL :  cpu time   1561.3942: real time   1567.8275
    CORREC:  cpu time      0.0097: real time      0.0097
    CHARGE:  cpu time      0.2249: real time      0.2257
    --------------------------------------------
      LOOP:  cpu time   1562.4583: real time   1568.8941

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8801692E-02  (-0.6522168E-02)
 number of electron       3.0000000 magnetization       0.0000042
 augmentation part       -0.0044467 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13708992
  -exchange      EXHF   =         7.02082458
  -V(xc)+E(xc)   XCENC  =       -16.58332223
  PAW double counting   =      7854.10380501    -7833.91901637
  entropy T*S    EENTRO =        -0.00267332
  eigenvalues    EBANDS =         7.87659104
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.91479408 eV

  energy without entropy =       -2.91212076  energy(sigma->0) =       -2.91390297
  exchange ACFDT corr.  =        -0.00186127  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0659
    SETDIJ:  cpu time      0.7630: real time      0.7643
    TRIAL :  cpu time   1551.1518: real time   1557.5511
    CORREC:  cpu time      0.0096: real time      0.0096
    CHARGE:  cpu time      0.2267: real time      0.2275
    --------------------------------------------
      LOOP:  cpu time   1552.2170: real time   1558.6187

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5554436E-02  (-0.3818104E-02)
 number of electron       3.0000000 magnetization       0.0000040
 augmentation part       -0.0023179 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13729463
  -exchange      EXHF   =         7.02039015
  -V(xc)+E(xc)   XCENC  =       -16.58371525
  PAW double counting   =     10409.75594940   -10389.57244784
  entropy T*S    EENTRO =        -0.00269525
  eigenvalues    EBANDS =         7.87339399
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92034851 eV

  energy without entropy =       -2.91765326  energy(sigma->0) =       -2.91945010
  exchange ACFDT corr.  =        -0.00186494  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0658
    SETDIJ:  cpu time      0.7607: real time      0.7620
    TRIAL :  cpu time   1551.2432: real time   1557.6385
    CORREC:  cpu time      0.0095: real time      0.0096
    CHARGE:  cpu time      0.2262: real time      0.2270
    --------------------------------------------
      LOOP:  cpu time   1552.3055: real time   1558.7032

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3179419E-02  (-0.2004317E-02)
 number of electron       3.0000000 magnetization       0.0000039
 augmentation part       -0.0007371 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13749902
  -exchange      EXHF   =         7.02014568
  -V(xc)+E(xc)   XCENC  =       -16.58386288
  PAW double counting   =     12972.74121017   -12952.55851763
  entropy T*S    EENTRO =        -0.00270596
  eigenvalues    EBANDS =         7.87164201
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92352793 eV

  energy without entropy =       -2.92082198  energy(sigma->0) =       -2.92262595
  exchange ACFDT corr.  =        -0.00186095  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0655: real time      0.0658
    SETDIJ:  cpu time      0.7617: real time      0.7630
    TRIAL :  cpu time   1557.9242: real time   1564.3391
    CORREC:  cpu time      0.0094: real time      0.0094
    CHARGE:  cpu time      0.2256: real time      0.2265
    --------------------------------------------
      LOOP:  cpu time   1558.9866: real time   1565.4040

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1624186E-02  (-0.9329193E-03)
 number of electron       3.0000000 magnetization       0.0000038
 augmentation part        0.0003479 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13770343
  -exchange      EXHF   =         7.02004353
  -V(xc)+E(xc)   XCENC  =       -16.58389154
  PAW double counting   =     15270.56543964   -15250.38335682
  entropy T*S    EENTRO =        -0.00270926
  eigenvalues    EBANDS =         7.87097348
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92515212 eV

  energy without entropy =       -2.92244286  energy(sigma->0) =       -2.92424903
  exchange ACFDT corr.  =        -0.00185210  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0655: real time      0.0657
    SETDIJ:  cpu time      0.7653: real time      0.7667
    TRIAL :  cpu time   1545.3384: real time   1551.7064
    CORREC:  cpu time      0.0093: real time      0.0094
    CHARGE:  cpu time      0.2259: real time      0.2268
    --------------------------------------------
      LOOP:  cpu time   1546.4048: real time   1552.7752

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7316084E-03  (-0.3843459E-03)
 number of electron       3.0000000 magnetization       0.0000036
 augmentation part        0.0010330 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13787316
  -exchange      EXHF   =         7.02001020
  -V(xc)+E(xc)   XCENC  =       -16.58392685
  PAW double counting   =     17106.57215705   -17086.39049769
  entropy T*S    EENTRO =        -0.00270796
  eigenvalues    EBANDS =         7.87090699
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92588373 eV

  energy without entropy =       -2.92317576  energy(sigma->0) =       -2.92498107
  exchange ACFDT corr.  =        -0.00184067  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0659
    SETDIJ:  cpu time      0.7628: real time      0.7642
    TRIAL :  cpu time   1557.7577: real time   1564.1848
    CORREC:  cpu time      0.0093: real time      0.0093
    CHARGE:  cpu time      0.2249: real time      0.2258
    --------------------------------------------
      LOOP:  cpu time   1558.8207: real time   1565.2502

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2897707E-03  (-0.1431530E-03)
 number of electron       3.0000000 magnetization       0.0000035
 augmentation part        0.0014279 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13799239
  -exchange      EXHF   =         7.02000332
  -V(xc)+E(xc)   XCENC  =       -16.58400970
  PAW double counting   =     18414.58238128   -18394.40110756
  entropy T*S    EENTRO =        -0.00270408
  eigenvalues    EBANDS =         7.87121052
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92617350 eV

  energy without entropy =       -2.92346942  energy(sigma->0) =       -2.92527214
  exchange ACFDT corr.  =        -0.00182831  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0657: real time      0.0659
    SETDIJ:  cpu time      0.7624: real time      0.7637
    TRIAL :  cpu time   1565.4528: real time   1571.8965
    CORREC:  cpu time      0.0092: real time      0.0092
    CHARGE:  cpu time      0.2253: real time      0.2261
    --------------------------------------------
      LOOP:  cpu time   1566.5156: real time   1572.9618

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1036762E-03  (-0.5206231E-04)
 number of electron       3.0000000 magnetization       0.0000034
 augmentation part        0.0016296 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13807665
  -exchange      EXHF   =         7.02001667
  -V(xc)+E(xc)   XCENC  =       -16.58411334
  PAW double counting   =     19244.66403312   -19224.48314106
  entropy T*S    EENTRO =        -0.00269895
  eigenvalues    EBANDS =         7.87165917
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92627718 eV

  energy without entropy =       -2.92357823  energy(sigma->0) =       -2.92537753
  exchange ACFDT corr.  =        -0.00181614  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0653: real time      0.0656
    SETDIJ:  cpu time      0.7646: real time      0.7660
    TRIAL :  cpu time   1547.5819: real time   1554.0046
    CORREC:  cpu time      0.0094: real time      0.0094
    CHARGE:  cpu time      0.2248: real time      0.2257
    --------------------------------------------
      LOOP:  cpu time   1548.6463: real time   1555.0714

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3771621E-04  (-0.2319625E-04)
 number of electron       3.0000000 magnetization       0.0000033
 augmentation part        0.0017150 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13814910
  -exchange      EXHF   =         7.02005287
  -V(xc)+E(xc)   XCENC  =       -16.58420211
  PAW double counting   =     19706.30833040   -19686.12757106
  entropy T*S    EENTRO =        -0.00269342
  eigenvalues    EBANDS =         7.87187407
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92631489 eV

  energy without entropy =       -2.92362147  energy(sigma->0) =       -2.92541709
  exchange ACFDT corr.  =        -0.00180483  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0657: real time      0.0659
    SETDIJ:  cpu time      0.7646: real time      0.7660
    TRIAL :  cpu time   1570.3789: real time   1576.9101
    CORREC:  cpu time      0.0091: real time      0.0091
    CHARGE:  cpu time      0.2258: real time      0.2266
    --------------------------------------------
      LOOP:  cpu time   1571.4443: real time   1577.9780

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1783108E-04  (-0.1384920E-04)
 number of electron       3.0000000 magnetization       0.0000032
 augmentation part        0.0017358 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13822159
  -exchange      EXHF   =         7.02010622
  -V(xc)+E(xc)   XCENC  =       -16.58426120
  PAW double counting   =     19923.48293895   -19903.30230842
  entropy T*S    EENTRO =        -0.00268799
  eigenvalues    EBANDS =         7.87205775
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92633272 eV

  energy without entropy =       -2.92364473  energy(sigma->0) =       -2.92543672
  exchange ACFDT corr.  =        -0.00179471  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0656: real time      0.0658
    SETDIJ:  cpu time      0.7636: real time      0.7649
    TRIAL :  cpu time   1565.4250: real time   1571.9308
    CORREC:  cpu time      0.0090: real time      0.0090
    CHARGE:  cpu time      0.2253: real time      0.2261
    --------------------------------------------
      LOOP:  cpu time   1566.4887: real time   1572.9969

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1163927E-04  (-0.9778962E-05)
 number of electron       3.0000000 magnetization       0.0000030
 augmentation part        0.0017243 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13829410
  -exchange      EXHF   =         7.02016689
  -V(xc)+E(xc)   XCENC  =       -16.58429544
  PAW double counting   =     19995.78299544   -19975.60241277
  entropy T*S    EENTRO =        -0.00268294
  eigenvalues    EBANDS =         7.87213463
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92634436 eV

  energy without entropy =       -2.92366142  energy(sigma->0) =       -2.92545005
  exchange ACFDT corr.  =        -0.00178586  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.0655: real time      0.0658
    SETDIJ:  cpu time      0.7639: real time      0.7652
    TRIAL :  cpu time   1559.0620: real time   1565.5928
    CORREC:  cpu time      0.0092: real time      0.0092
    EDDIAG:  cpu time   1572.3701: real time   1578.9145
    CHARGE:  cpu time      0.2246: real time      0.2254
    --------------------------------------------
      LOOP:  cpu time   3132.4957: real time   3145.5732

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8696000E-05  (-0.7111266E-05)
 number of electron       3.0000000 magnetization       0.0000029
 augmentation part        0.0016990 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.21526246
  Ewald energy   TEWEN  =       -74.89781627
  -Hartree energ DENC   =        -0.13836255
  -exchange      EXHF   =         7.02028066
  -V(xc)+E(xc)   XCENC  =       -16.58431501
  PAW double counting   =     19992.16129981   -19971.98073942
  entropy T*S    EENTRO =        -0.00267837
  eigenvalues    EBANDS =         7.87217163
  atomic energy  EATOM  =        53.83912772
  ---------------------------------------------------
  free energy    TOTEN  =        -2.92635306 eV

  energy without entropy =       -2.92367468  energy(sigma->0) =       -2.92546027
  exchange ACFDT corr.  =        -0.00177825  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   1.7182


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -64.2964
 
 
 
 E-fermi :   8.6298     XC(G=0):  -6.6766     alpha+bet :-15.7313

 Fermi energy:         8.6298494173

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.2333      1.00000
      2      23.7536      0.00000
      3      23.7536      0.00000
      4      23.7536      0.00000
      5      25.6105      0.00000
      6      25.6105      0.00000
      7      25.6105      0.00000
      8      27.4978      0.00000

 k-point     2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     3 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     4 :       0.0000    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     5 :       0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     6 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5719      0.00000
      8      29.0559      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5719      0.00000
      8      29.0559      0.00000

 k-point     8 :       0.0000    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5719      0.00000
      8      29.0559      0.00000

 k-point     9 :       0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5719      0.00000
      8      29.0559      0.00000

 k-point    10 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5410      0.00000
      6      25.7702      0.00000
      7      25.7702      0.00000
      8      29.9470      0.00000

 k-point    11 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5410      0.00000
      6      25.7702      0.00000
      7      25.7702      0.00000
      8      29.9470      0.00000

 k-point    12 :       0.0000    0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5410      0.00000
      6      25.7702      0.00000
      7      25.7702      0.00000
      8      29.9470      0.00000

 k-point    13 :       0.2727    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5410      0.00000
      6      25.7702      0.00000
      7      25.7702      0.00000
      8      29.9470      0.00000

 k-point    14 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.6167      1.00000
      2       7.9130      1.00000
      3      21.7696      0.00000
      4      21.7696      0.00000
      5      24.1652      0.00000
      6      24.1652      0.00000
      7      25.5925      0.00000
      8      28.3713      0.00000

 k-point    15 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.6167      1.00000
      2       7.9130      1.00000
      3      21.7696      0.00000
      4      21.7696      0.00000
      5      24.1652      0.00000
      6      24.1652      0.00000
      7      25.5925      0.00000
      8      28.3713      0.00000

 k-point    16 :       0.0000    0.0000    0.3636
  band No.  band energies     occupation 
      1      -1.6167      1.00000
      2       7.9130      1.00000
      3      21.7696      0.00000
      4      21.7696      0.00000
      5      24.1652      0.00000
      6      24.1652      0.00000
      7      25.5925      0.00000
      8      28.3713      0.00000

 k-point    17 :       0.3636    0.3636    0.3636
  band No.  band energies     occupation 
      1      -1.6167      1.00000
      2       7.9130      1.00000
      3      21.7696      0.00000
      4      21.7696      0.00000
      5      24.1652      0.00000
      6      24.1652      0.00000
      7      25.5925      0.00000
      8      28.3713      0.00000

 k-point    18 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.9892      1.00000
      2       4.2067      1.00000
      3      22.1435      0.00000
      4      22.1435      0.00000
      5      22.9522      0.00000
      6      22.9522      0.00000
      7      25.9838      0.00000
      8      27.1713      0.00000

 k-point    19 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.9892      1.00000
      2       4.2067      1.00000
      3      22.1435      0.00000
      4      22.1435      0.00000
      5      22.9522      0.00000
      6      22.9522      0.00000
      7      25.9838      0.00000
      8      27.1713      0.00000

 k-point    20 :       0.0000    0.0000    0.4545
  band No.  band energies     occupation 
      1       0.9892      1.00000
      2       4.2067      1.00000
      3      22.1435      0.00000
      4      22.1435      0.00000
      5      22.9522      0.00000
      6      22.9522      0.00000
      7      25.9838      0.00000
      8      27.1713      0.00000

 k-point    21 :       0.4545    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.9892      1.00000
      2       4.2067      1.00000
      3      22.1435      0.00000
      4      22.1435      0.00000
      5      22.9522      0.00000
      6      22.9522      0.00000
      7      25.9838      0.00000
      8      27.1713      0.00000

 k-point    22 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.8488      1.00000
      2      21.6731      0.00000
      3      21.6731      0.00000
      4      21.8180      0.00000
      5      24.8580      0.00000
      6      27.9373      0.00000
      7      28.1496      0.00000
      8      28.1496      0.00000

 k-point    23 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.8488      1.00000
      2      21.6731      0.00000
      3      21.6731      0.00000
      4      21.8180      0.00000
      5      24.8580      0.00000
      6      27.9373      0.00000
      7      28.1496      0.00000
      8      28.1496      0.00000

 k-point    24 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.8488      1.00000
      2      21.6731      0.00000
      3      21.6731      0.00000
      4      21.8180      0.00000
      5      24.8580      0.00000
      6      27.9373      0.00000
      7      28.1496      0.00000
      8      28.1496      0.00000

 k-point    25 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    26 :       0.0000    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    27 :       0.0909    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    28 :       0.0909    0.0909   -0.0909
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    29 :       0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    30 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    31 :       0.0909   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    32 :       0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    33 :       0.0000    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    34 :      -0.0909    0.0909   -0.0909
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    35 :       0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    36 :       0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1761      1.00000
      2      17.7419      0.00000
      3      20.6240      0.00000
      4      22.0482      0.00000
      5      25.2932      0.00000
      6      25.6067      0.00000
      7      28.4318      0.00000
      8      29.7455      0.00000

 k-point    37 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    38 :       0.0000    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    39 :       0.0909    0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    40 :       0.0909    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    41 :       0.2727    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    42 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    43 :       0.1818   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    44 :       0.2727    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    45 :       0.0000    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    46 :      -0.0909    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    47 :       0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    48 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.9265      1.00000
      2      13.5565     -0.00000
      3      19.9886      0.00000
      4      21.6739      0.00000
      5      23.2515      0.00000
      6      27.4770      0.00000
      7      28.3069      0.00000
      8      28.5594      0.00000

 k-point    49 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2382      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    50 :       0.0000    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2382      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    51 :       0.0909    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2382      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    52 :       0.0909    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2381      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    53 :       0.3636    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2381      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    54 :       0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2382      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    55 :       0.2727   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2381      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    56 :       0.3636    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2381      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    57 :       0.0000    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2382      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    58 :      -0.0909    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2381      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    59 :       0.2727    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2381      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    60 :       0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -2.0982      1.00000
      2       9.4678     -0.00000
      3      19.7839      0.00000
      4      21.2382      0.00000
      5      21.7251      0.00000
      6      26.9208      0.00000
      7      28.0767      0.00000
      8      29.7615      0.00000

 k-point    61 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    62 :       0.0000    0.4545    0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    63 :       0.0909    0.0000    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    64 :       0.0909    0.0909   -0.3636
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    65 :       0.4545    0.3636    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    66 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    67 :       0.3636   -0.0909   -0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    68 :       0.4545    0.4545    0.3636
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    69 :       0.0000    0.0909    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    70 :      -0.0909    0.3636   -0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    71 :       0.3636    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    72 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    73 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    74 :       0.0000   -0.4545    0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    75 :       0.0909    0.0000   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    76 :       0.0909    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    77 :      -0.4545    0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    78 :       0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    79 :       0.4545   -0.0909   -0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    80 :      -0.4545   -0.4545    0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    81 :       0.0000    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    82 :      -0.0909    0.4545   -0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    83 :       0.4545   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    84 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5733      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    85 :      -0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    86 :       0.0000   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    87 :       0.0909    0.0000   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    88 :       0.0909    0.0909    0.4545
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    89 :      -0.3636   -0.4545   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    90 :       0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    91 :      -0.4545   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    92 :      -0.3636   -0.3636   -0.4545
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    93 :       0.0000    0.0909   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    94 :      -0.0909   -0.4545   -0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    95 :      -0.4545   -0.3636   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    96 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1678      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    97 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point    98 :       0.0000   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point    99 :       0.0909    0.0000   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   100 :       0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   101 :      -0.2727   -0.3636   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   102 :       0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   103 :      -0.3636   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   104 :      -0.2727   -0.2727   -0.3636
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   105 :       0.0000    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   106 :      -0.0909   -0.3636   -0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   107 :      -0.3636   -0.2727   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   108 :      -0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3458      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   109 :      -0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   110 :       0.0000   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   111 :       0.0909    0.0000   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   112 :       0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   113 :      -0.1818   -0.2727   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   114 :       0.0909   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   115 :      -0.2727   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   116 :      -0.1818   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   117 :       0.0000    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   118 :      -0.0909   -0.2727   -0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   119 :      -0.2727   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   120 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   121 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9014      0.00000
      7      27.6982      0.00000
      8      28.3032      0.00000

 k-point   122 :       0.0000   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9014      0.00000
      7      27.6982      0.00000
      8      28.3032      0.00000

 k-point   123 :       0.0909    0.0000   -0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9014      0.00000
      7      27.6982      0.00000
      8      28.3032      0.00000

 k-point   124 :       0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9014      0.00000
      7      27.6982      0.00000
      8      28.3032      0.00000

 k-point   125 :      -0.0909   -0.1818   -0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9014      0.00000
      7      27.6982      0.00000
      8      28.3032      0.00000

 k-point   126 :      -0.1818   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9014      0.00000
      7      27.6982      0.00000
      8      28.3032      0.00000

 k-point   127 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.6953      1.00000
      2      19.2900      0.00000
      3      19.3888      0.00000
      4      19.3888      0.00000
      5      22.6684      0.00000
      6      23.3394      0.00000
      7      31.6916      0.00000
      8      31.6916      0.00000

 k-point   128 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.6953      1.00000
      2      19.2900      0.00000
      3      19.3888      0.00000
      4      19.3888      0.00000
      5      22.6684      0.00000
      6      23.3394      0.00000
      7      31.6916      0.00000
      8      31.6916      0.00000

 k-point   129 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.6953      1.00000
      2      19.2900      0.00000
      3      19.3888      0.00000
      4      19.3888      0.00000
      5      22.6684      0.00000
      6      23.3394      0.00000
      7      31.6916      0.00000
      8      31.6916      0.00000

 k-point   130 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   131 :       0.0000    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   132 :       0.1818    0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   133 :       0.1818    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   134 :       0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   135 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   136 :       0.0909   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   137 :       0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   138 :       0.0000    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   139 :      -0.1818    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   140 :       0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   141 :       0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8553      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   142 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   143 :       0.0000    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   144 :       0.1818    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   145 :       0.1818    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   146 :       0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   147 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   148 :       0.1818   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   149 :       0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   150 :       0.0000    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   151 :      -0.1818    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   152 :       0.1818    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   153 :       0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3503      0.00000

 k-point   154 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   155 :       0.0000    0.4545    0.1818
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   156 :       0.1818    0.0000    0.4545
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   157 :       0.1818    0.1818   -0.2727
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   158 :       0.4545    0.2727    0.4545
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   159 :       0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   160 :       0.2727   -0.1818   -0.1818
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   161 :       0.4545    0.4545    0.2727
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   162 :       0.0000    0.1818    0.4545
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   163 :      -0.1818    0.2727   -0.1818
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   164 :       0.2727    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   165 :       0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1       0.2159      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1491      0.00000

 k-point   166 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   167 :       0.0000   -0.4545    0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   168 :       0.1818    0.0000   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   169 :       0.1818    0.1818   -0.3636
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   170 :      -0.4545    0.3636   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   171 :       0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   172 :       0.3636   -0.1818   -0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   173 :      -0.4545   -0.4545    0.3636
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   174 :       0.0000    0.1818   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   175 :      -0.1818    0.3636   -0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   176 :       0.3636   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   177 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8369      0.00000

 k-point   178 :      -0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   179 :       0.0000   -0.3636    0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   180 :       0.1818    0.0000   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   181 :       0.1818    0.1818   -0.4545
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   182 :      -0.3636    0.4545   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   183 :       0.1818   -0.3636    0.0000
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
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      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   184 :       0.4545   -0.1818   -0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
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      5      21.8931      0.00000
      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   185 :      -0.3636   -0.3636    0.4545
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
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      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   186 :       0.0000    0.1818   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
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      5      21.8931      0.00000
      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   187 :      -0.1818    0.4545   -0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   188 :       0.4545   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   189 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   190 :      -0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
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 k-point   191 :       0.0000   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
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 k-point   192 :       0.1818    0.0000   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
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 k-point   193 :       0.1818    0.1818    0.4545
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
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      6      26.6913      0.00000
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 k-point   194 :      -0.2727   -0.4545   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
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 k-point   195 :       0.1818   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
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      6      26.6913      0.00000
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 k-point   196 :      -0.4545   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
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 k-point   197 :      -0.2727   -0.2727   -0.4545
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
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 k-point   198 :       0.0000    0.1818   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
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 k-point   199 :      -0.1818   -0.4545   -0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
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 k-point   200 :      -0.4545   -0.2727   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
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 k-point   201 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
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 k-point   202 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
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 k-point   203 :       0.0000   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
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 k-point   204 :       0.1818    0.0000   -0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
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 k-point   205 :       0.1818    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   206 :      -0.1818   -0.3636   -0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   207 :      -0.3636   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   208 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.7718      1.00000
      2      17.2647      0.00000
      3      17.5305      0.00000
      4      17.6178      0.00000
      5      17.6178      0.00000
      6      21.7812      0.00000
      7      34.0103      0.00000
      8      35.0597      0.00000

 k-point   209 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.7718      1.00000
      2      17.2647      0.00000
      3      17.5305      0.00000
      4      17.6178      0.00000
      5      17.6178      0.00000
      6      21.7812      0.00000
      7      34.0103      0.00000
      8      35.0597      0.00000

 k-point   210 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.7718      1.00000
      2      17.2647      0.00000
      3      17.5305      0.00000
      4      17.6178      0.00000
      5      17.6178      0.00000
      6      21.7812      0.00000
      7      34.0103      0.00000
      8      35.0597      0.00000

 k-point   211 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   212 :       0.0000    0.3636    0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   213 :       0.2727    0.0000    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   214 :       0.2727    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   215 :       0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   216 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   217 :       0.0909   -0.2727   -0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   218 :       0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   219 :       0.0000    0.2727    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   220 :      -0.2727    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   221 :       0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   222 :       0.3636    0.0000    0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
      8      35.6046      0.00000

 k-point   223 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   224 :       0.0000    0.4545    0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   225 :       0.2727    0.0000    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   226 :       0.2727    0.2727   -0.1818
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   227 :       0.4545    0.1818    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   228 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   229 :       0.1818   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   230 :       0.4545    0.4545    0.1818
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   231 :       0.0000    0.2727    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   232 :      -0.2727    0.1818   -0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   233 :       0.1818    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   234 :       0.4545    0.0000    0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3280     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   235 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   236 :       0.0000   -0.4545    0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   237 :       0.2727    0.0000   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   238 :       0.2727    0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   239 :      -0.4545    0.2727   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   240 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   241 :       0.2727   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   242 :      -0.4545   -0.4545    0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   243 :       0.0000    0.2727   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   244 :      -0.2727    0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   245 :       0.2727   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   246 :      -0.4545    0.0000    0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   247 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   248 :       0.0000   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   249 :       0.2727    0.0000   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   250 :       0.2727    0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   251 :      -0.3636    0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   252 :       0.2727   -0.3636    0.0000
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
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      6      30.1367      0.00000
      7      31.5299      0.00000
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 k-point   253 :       0.3636   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
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 k-point   254 :      -0.3636   -0.3636    0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   255 :       0.0000    0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   256 :      -0.2727    0.3636   -0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   257 :       0.3636   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   258 :      -0.3636    0.0000    0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   259 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   260 :       0.0000   -0.2727    0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   261 :       0.2727    0.0000   -0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   262 :       0.2727    0.2727   -0.4545
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   263 :      -0.2727    0.4545   -0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   264 :       0.4545   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   265 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -0.0821      1.00000
      2      12.5956     -0.00000
      3      15.8757      0.00000
      4      16.4191      0.00000
      5      16.4191      0.00000
      6      20.6175      0.00000
      7      35.8855      0.00000
      8      37.6580      0.00000

 k-point   266 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -0.0821      1.00000
      2      12.5956     -0.00000
      3      15.8757      0.00000
      4      16.4191      0.00000
      5      16.4191      0.00000
      6      20.6175      0.00000
      7      35.8855      0.00000
      8      37.6580      0.00000

 k-point   267 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -0.0821      1.00000
      2      12.5956     -0.00000
      3      15.8757      0.00000
      4      16.4191      0.00000
      5      16.4191      0.00000
      6      20.6175      0.00000
      7      35.8855      0.00000
      8      37.6580      0.00000

 k-point   268 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   269 :       0.0000    0.4545    0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   270 :       0.3636    0.0000    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   271 :       0.3636    0.3636   -0.0909
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   272 :       0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   273 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   274 :       0.0909   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   275 :       0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   276 :       0.0000    0.3636    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   277 :      -0.3636    0.0909   -0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   278 :       0.0909    0.4545    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   279 :       0.4545    0.0000    0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8250     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   280 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   281 :       0.0000   -0.4545    0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   282 :       0.3636    0.0000   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   283 :       0.3636    0.3636   -0.1818
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30702
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   284 :      -0.4545    0.1818   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   285 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   286 :       0.1818   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30702
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   287 :      -0.4545   -0.4545    0.1818
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   288 :       0.0000    0.3636   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   289 :      -0.3636    0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30702
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   290 :       0.1818   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   291 :      -0.4545    0.0000    0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30703
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   292 :      -0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73217
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   293 :       0.0000   -0.3636    0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73217
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   294 :       0.3636    0.0000   -0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73217
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   295 :       0.3636    0.3636   -0.2727
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73217
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   296 :      -0.3636    0.2727   -0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73217
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   297 :       0.2727   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73218
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   298 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1       3.2556      1.00000
      2       8.0672      1.00025
      3      15.1727      0.00000
      4      15.8159      0.00000
      5      15.8159      0.00000
      6      20.0027      0.00000
      7      37.6776      0.00000
      8      39.3704      0.00000

 k-point   299 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1       3.2556      1.00000
      2       8.0672      1.00025
      3      15.1727      0.00000
      4      15.8159      0.00000
      5      15.8159      0.00000
      6      20.0027      0.00000
      7      37.6776      0.00000
      8      39.3704      0.00000

 k-point   300 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1       3.2556      1.00000
      2       8.0672      1.00025
      3      15.1727      0.00000
      4      15.8159      0.00000
      5      15.8159      0.00000
      6      20.0027      0.00000
      7      37.6776      0.00000
      8      39.3704      0.00000

 k-point   301 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3723      0.00000

 k-point   302 :       0.0000   -0.4545    0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3722      0.00000

 k-point   303 :       0.4545    0.0000   -0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3723      0.00000

 k-point   304 :       0.4545    0.4545   -0.0909
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3723      0.00000

 k-point   305 :      -0.4545    0.0909   -0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3723      0.00000

 k-point   306 :       0.0909   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3722      0.00000

 k-point   307 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   308 :       0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   309 :       0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   310 :       0.1818    0.0909   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0051      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   311 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   312 :       0.0909   -0.1818   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0051      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   313 :       0.0909    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0051      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   314 :       0.0909   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0051      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   315 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   316 :      -0.0909    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0051      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   317 :      -0.1818    0.0909   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0051      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   318 :       0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7221      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   319 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   320 :       0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   321 :       0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   322 :       0.1818    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   323 :       0.3636    0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   324 :       0.0909   -0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   325 :       0.0909    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   326 :       0.1818   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   327 :      -0.2727   -0.1818   -0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   328 :       0.2727    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   329 :      -0.0909    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   330 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   331 :      -0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   332 :      -0.1818    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   333 :      -0.3636   -0.2727   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   334 :       0.1818    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   335 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   336 :       0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   337 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   338 :      -0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   339 :      -0.1818   -0.3636   -0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   340 :      -0.3636   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   341 :      -0.1818   -0.3636   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   342 :      -0.0909   -0.1818   -0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8628      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   343 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   344 :       0.0909    0.4545    0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   345 :       0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   346 :       0.1818    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7809      0.00000

 k-point   347 :       0.4545    0.2727    0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   348 :       0.0909   -0.3636   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   349 :       0.0909    0.3636   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   350 :       0.2727   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7809      0.00000

 k-point   351 :      -0.3636   -0.2727   -0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   352 :       0.3636    0.4545    0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   353 :      -0.0909    0.0909   -0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   354 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7809      0.00000

 k-point   355 :      -0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   356 :      -0.1818    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7809      0.00000

 k-point   357 :      -0.4545   -0.3636   -0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   358 :       0.2727    0.3636    0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   359 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   360 :       0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7809      0.00000

 k-point   361 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   362 :      -0.0909   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7809      0.00000

 k-point   363 :      -0.2727   -0.4545   -0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   364 :      -0.4545   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   365 :      -0.1818   -0.4545   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   366 :      -0.0909   -0.1818   -0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55451
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   367 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   368 :       0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   369 :       0.1818    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   370 :       0.1818    0.0909   -0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   371 :      -0.4545    0.3636    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   372 :       0.0909   -0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   373 :       0.0909    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   374 :       0.3636   -0.0909   -0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   375 :      -0.4545   -0.3636    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   376 :       0.4545   -0.4545    0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   377 :      -0.0909    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   378 :      -0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   379 :      -0.0909    0.0909    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   380 :      -0.1818    0.3636   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   381 :       0.4545   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   382 :       0.3636    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   383 :      -0.4545   -0.0909    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   384 :       0.0909   -0.3636    0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   385 :       0.4545   -0.0909    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   386 :      -0.0909   -0.1818    0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   387 :      -0.3636    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   388 :       0.4545   -0.0909   -0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   389 :      -0.1818    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   390 :      -0.0909   -0.1818    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8632      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   391 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   392 :       0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   393 :       0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   394 :       0.2727    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   395 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   396 :       0.0909   -0.2727   -0.1818
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   397 :       0.1818    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   398 :       0.0909   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   399 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   400 :      -0.1818    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   401 :      -0.2727    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   402 :       0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   403 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   404 :       0.0909    0.4545    0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   405 :       0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   406 :       0.2727    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   407 :       0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   408 :       0.0909   -0.3636   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   409 :       0.1818    0.3636   -0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   410 :       0.1818   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   411 :      -0.3636   -0.1818   -0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   412 :       0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   413 :      -0.1818    0.0909   -0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   414 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   415 :      -0.0909    0.1818    0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   416 :      -0.2727    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   417 :      -0.4545   -0.3636   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   418 :       0.1818    0.3636    0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   419 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   420 :       0.1818   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   421 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   422 :      -0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   423 :      -0.1818   -0.4545   -0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   424 :      -0.4545   -0.0909   -0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   425 :      -0.2727   -0.4545   -0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   426 :      -0.0909   -0.2727   -0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   427 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   428 :       0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   429 :       0.2727    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   430 :       0.2727    0.1818   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   431 :      -0.4545    0.2727    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   432 :       0.0909   -0.4545   -0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   433 :       0.1818    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   434 :       0.2727   -0.1818   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   435 :      -0.4545   -0.2727    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   436 :       0.4545   -0.4545    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   437 :      -0.1818    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   438 :      -0.2727    0.2727    0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   439 :      -0.0909    0.1818    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   440 :      -0.2727    0.2727   -0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   441 :       0.4545   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   442 :       0.2727    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   443 :      -0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   444 :       0.1818   -0.2727    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   445 :       0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   446 :      -0.1818   -0.2727    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   447 :      -0.2727    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   448 :       0.4545   -0.0909   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   449 :      -0.2727    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   450 :      -0.0909   -0.2727    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   451 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   452 :       0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   453 :       0.2727    0.0909   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   454 :       0.2727    0.1818   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   455 :      -0.3636    0.3636   -0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   456 :       0.0909    0.4545   -0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   457 :       0.1818   -0.4545   -0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   458 :       0.3636   -0.1818   -0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   459 :       0.4545   -0.3636    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   460 :      -0.4545   -0.3636    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   461 :      -0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   462 :      -0.3636    0.2727    0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   463 :      -0.0909    0.1818   -0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   464 :      -0.2727    0.3636   -0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   465 :       0.3636    0.4545   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   466 :       0.3636   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   467 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   468 :       0.1818   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   469 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   470 :      -0.1818   -0.2727    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   471 :      -0.3636    0.3636    0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   472 :       0.3636   -0.0909   -0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   473 :      -0.2727    0.3636   -0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   474 :      -0.0909   -0.2727    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   475 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   476 :       0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   477 :       0.2727    0.0909   -0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   478 :       0.2727    0.1818   -0.4545
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   479 :      -0.2727    0.4545   -0.3636
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   480 :       0.0909    0.3636   -0.1818
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   481 :       0.1818   -0.3636   -0.0909
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   482 :       0.4545   -0.1818   -0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   483 :       0.3636   -0.4545    0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   484 :      -0.3636   -0.2727    0.4545
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   485 :      -0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   486 :      -0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   487 :      -0.0909    0.1818   -0.3636
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   488 :      -0.2727    0.4545   -0.1818
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   489 :       0.2727    0.3636   -0.4545
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   490 :       0.4545   -0.3636   -0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   491 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   492 :       0.1818   -0.4545    0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   493 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   494 :      -0.1818   -0.2727    0.4545
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   495 :      -0.4545    0.2727    0.3636
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   496 :       0.2727   -0.0909   -0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   497 :      -0.2727    0.2727   -0.0909
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   498 :      -0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1       0.9940      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2158      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   499 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   500 :       0.0909   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   501 :       0.2727    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   502 :       0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   503 :      -0.1818   -0.4545   -0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   504 :       0.0909    0.2727   -0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   505 :      -0.4545   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   506 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   507 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   508 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   509 :       0.1818    0.2727    0.4545
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   510 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   511 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   512 :       0.0909    0.4545    0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   513 :       0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   514 :       0.3636    0.2727   -0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   515 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   516 :       0.0909   -0.3636   -0.2727
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   517 :       0.2727    0.3636   -0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   518 :       0.0909   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   519 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   520 :      -0.2727    0.0909   -0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   521 :      -0.3636    0.0909   -0.2727
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   522 :       0.0909    0.3636    0.4545
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   523 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   524 :       0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   525 :       0.3636    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   526 :       0.3636    0.2727   -0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   527 :      -0.4545    0.1818    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   528 :       0.0909   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   529 :       0.2727    0.4545   -0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   530 :       0.1818   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   531 :      -0.4545   -0.1818    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   532 :       0.4545   -0.4545    0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   533 :      -0.2727    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   534 :      -0.1818    0.3636    0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   535 :      -0.0909    0.2727    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   536 :      -0.3636    0.1818   -0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   537 :       0.4545   -0.4545   -0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   538 :       0.1818    0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   539 :      -0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   540 :       0.2727   -0.1818    0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   541 :       0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   542 :      -0.2727   -0.3636    0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   543 :      -0.1818    0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   544 :       0.4545   -0.0909   -0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   545 :      -0.3636    0.4545   -0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   546 :      -0.0909   -0.3636    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   547 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   548 :       0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   549 :       0.3636    0.0909   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   550 :       0.3636    0.2727   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   551 :      -0.3636    0.2727   -0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   552 :       0.0909    0.4545   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   553 :       0.2727   -0.4545   -0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   554 :       0.2727   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   555 :       0.4545   -0.2727    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   556 :      -0.4545   -0.3636    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   557 :      -0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   558 :      -0.2727    0.3636    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   559 :      -0.0909    0.2727   -0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   560 :      -0.3636    0.2727   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   561 :       0.3636    0.4545   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   562 :       0.2727   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   563 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   564 :       0.2727   -0.2727    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   565 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   566 :      -0.2727   -0.3636    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   567 :      -0.2727    0.3636    0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   568 :       0.3636   -0.0909   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   569 :      -0.3636    0.3636   -0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   570 :      -0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   571 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   572 :       0.0909   -0.2727    0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   573 :       0.3636    0.0909   -0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   574 :       0.3636    0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   575 :      -0.2727    0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   576 :       0.0909    0.3636   -0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   577 :       0.3636   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   578 :       0.3636   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   579 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   580 :      -0.3636    0.3636    0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   581 :       0.2727    0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   582 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9921     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   583 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   584 :       0.0909   -0.4545    0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   585 :       0.4545    0.0909   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   586 :       0.4545    0.3636   -0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   587 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   588 :       0.0909   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   589 :       0.3636    0.4545   -0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   590 :       0.0909   -0.3636   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   591 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   592 :      -0.3636    0.0909   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   593 :      -0.4545    0.0909   -0.3636
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   594 :       0.0909    0.4545   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   595 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   596 :       0.0909   -0.3636    0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   597 :       0.4545    0.0909   -0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   598 :       0.4545    0.3636   -0.1818
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   599 :      -0.3636    0.1818   -0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   600 :       0.0909    0.4545   -0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   601 :       0.1818   -0.3636   -0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   602 :       0.4545   -0.1818    0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   603 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   604 :      -0.1818    0.4545    0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   605 :       0.3636    0.4545   -0.1818
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   606 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6520      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   607 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   608 :       0.1818   -0.4545    0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   609 :       0.3636    0.1818   -0.4545
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   610 :       0.3636    0.1818   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   611 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   612 :       0.1818   -0.3636   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   613 :       0.1818    0.3636   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   614 :       0.1818   -0.1818   -0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   615 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   616 :      -0.1818    0.1818   -0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   617 :      -0.3636    0.1818   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   618 :       0.1818    0.3636   -0.4545
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9575      0.00000
      8      35.8135      0.00000

 k-point   619 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   620 :       0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   621 :       0.3636    0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   622 :       0.3636    0.1818   -0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   623 :      -0.3636    0.2727    0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   624 :       0.1818   -0.4545   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   625 :       0.1818    0.4545   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   626 :       0.2727   -0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   627 :      -0.4545   -0.2727    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   628 :       0.4545   -0.3636    0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   629 :      -0.1818    0.1818   -0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   630 :      -0.2727    0.3636    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   631 :      -0.1818    0.1818    0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   632 :      -0.3636    0.2727   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   633 :       0.3636   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   634 :       0.2727    0.4545   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   635 :      -0.4545   -0.1818    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   636 :       0.1818   -0.2727    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   637 :       0.4545   -0.1818    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   638 :      -0.1818   -0.3636    0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   639 :      -0.2727    0.3636   -0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   640 :       0.3636   -0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   641 :      -0.3636    0.3636   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   642 :      -0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   643 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   644 :       0.1818   -0.3636    0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   645 :       0.4545    0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   646 :       0.4545    0.2727   -0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   647 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   648 :       0.1818   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   649 :       0.2727    0.4545   -0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   650 :       0.1818   -0.2727   -0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   651 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   652 :      -0.2727    0.1818   -0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   653 :      -0.4545    0.1818   -0.2727
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   654 :       0.1818    0.4545   -0.3636
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   655 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   656 :       0.1818   -0.2727    0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   657 :       0.4545    0.1818   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   658 :       0.4545    0.2727   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   659 :      -0.2727    0.2727   -0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   660 :       0.1818    0.4545   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   661 :       0.2727   -0.2727   -0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   662 :       0.4545   -0.2727    0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   663 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   664 :      -0.2727    0.4545    0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   665 :       0.2727    0.4545   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   666 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000
 Fermi energy:         8.6298494173

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.2333      1.00000
      2      23.7536      0.00000
      3      23.7536      0.00000
      4      23.7536      0.00000
      5      25.6105      0.00000
      6      25.6105      0.00000
      7      25.6105      0.00000
      8      27.4978      0.00000

 k-point     2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     3 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     4 :       0.0000    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     5 :       0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9449      1.00000
      2      20.4493      0.00000
      3      23.0805      0.00000
      4      23.0805      0.00000
      5      26.1300      0.00000
      6      26.6669      0.00000
      7      26.6669      0.00000
      8      30.0771      0.00000

 k-point     6 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5720      0.00000
      8      29.0559      0.00000

 k-point     7 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5720      0.00000
      8      29.0559      0.00000

 k-point     8 :       0.0000    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5720      0.00000
      8      29.0559      0.00000

 k-point     9 :       0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0801      1.00000
      2      16.1830      0.00000
      3      22.2738      0.00000
      4      22.2738      0.00000
      5      25.8002      0.00000
      6      27.5718      0.00000
      7      27.5720      0.00000
      8      29.0559      0.00000

 k-point    10 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5411      0.00000
      6      25.7703      0.00000
      7      25.7703      0.00000
      8      29.9470      0.00000

 k-point    11 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5411      0.00000
      6      25.7703      0.00000
      7      25.7703      0.00000
      8      29.9470      0.00000

 k-point    12 :       0.0000    0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5411      0.00000
      6      25.7703      0.00000
      7      25.7703      0.00000
      8      29.9470      0.00000

 k-point    13 :       0.2727    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6384      1.00000
      2      11.9642     -0.00000
      3      21.8170      0.00000
      4      21.8170      0.00000
      5      25.5410      0.00000
      6      25.7703      0.00000
      7      25.7703      0.00000
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 k-point    14 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
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 k-point    15 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    16 :       0.0000    0.0000    0.3636
  band No.  band energies     occupation 
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 k-point    17 :       0.3636    0.3636    0.3636
  band No.  band energies     occupation 
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 k-point    18 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.9892      1.00000
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 k-point    19 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
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 k-point    20 :       0.0000    0.0000    0.4545
  band No.  band energies     occupation 
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 k-point    21 :       0.4545    0.4545    0.4545
  band No.  band energies     occupation 
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 k-point    22 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.8488      1.00000
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 k-point    23 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.8488      1.00000
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 k-point    24 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.8488      1.00000
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 k-point    25 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.1761      1.00000
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 k-point    26 :       0.0000    0.1818    0.0909
  band No.  band energies     occupation 
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 k-point    27 :       0.0909    0.0000    0.1818
  band No.  band energies     occupation 
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 k-point    28 :       0.0909    0.0909   -0.0909
  band No.  band energies     occupation 
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 k-point    29 :       0.1818    0.0909    0.1818
  band No.  band energies     occupation 
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 k-point    30 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
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 k-point    31 :       0.0909   -0.0909   -0.0909
  band No.  band energies     occupation 
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 k-point    32 :       0.1818    0.1818    0.0909
  band No.  band energies     occupation 
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 k-point    33 :       0.0000    0.0909    0.1818
  band No.  band energies     occupation 
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 k-point    34 :      -0.0909    0.0909   -0.0909
  band No.  band energies     occupation 
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 k-point    35 :       0.0909    0.1818    0.1818
  band No.  band energies     occupation 
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 k-point    36 :       0.1818    0.0000    0.0909
  band No.  band energies     occupation 
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 k-point    37 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
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 k-point    38 :       0.0000    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    39 :       0.0909    0.0000    0.2727
  band No.  band energies     occupation 
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 k-point    40 :       0.0909    0.0909   -0.1818
  band No.  band energies     occupation 
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 k-point    41 :       0.2727    0.1818    0.2727
  band No.  band energies     occupation 
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 k-point    42 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
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 k-point    43 :       0.1818   -0.0909   -0.0909
  band No.  band energies     occupation 
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 k-point    44 :       0.2727    0.2727    0.1818
  band No.  band energies     occupation 
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 k-point    45 :       0.0000    0.0909    0.2727
  band No.  band energies     occupation 
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 k-point    46 :      -0.0909    0.1818   -0.0909
  band No.  band energies     occupation 
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 k-point    47 :       0.1818    0.2727    0.2727
  band No.  band energies     occupation 
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 k-point    48 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
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 k-point    49 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
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 k-point    50 :       0.0000    0.3636    0.0909
  band No.  band energies     occupation 
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 k-point    51 :       0.0909    0.0000    0.3636
  band No.  band energies     occupation 
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 k-point    52 :       0.0909    0.0909   -0.2727
  band No.  band energies     occupation 
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 k-point    53 :       0.3636    0.2727    0.3636
  band No.  band energies     occupation 
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 k-point    54 :       0.0909    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    55 :       0.2727   -0.0909   -0.0909
  band No.  band energies     occupation 
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 k-point    56 :       0.3636    0.3636    0.2727
  band No.  band energies     occupation 
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 k-point    57 :       0.0000    0.0909    0.3636
  band No.  band energies     occupation 
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 k-point    58 :      -0.0909    0.2727   -0.0909
  band No.  band energies     occupation 
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      3      19.7839      0.00000
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 k-point    59 :       0.2727    0.3636    0.3636
  band No.  band energies     occupation 
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      3      19.7839      0.00000
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 k-point    60 :       0.3636    0.0000    0.0909
  band No.  band energies     occupation 
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 k-point    61 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
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 k-point    62 :       0.0000    0.4545    0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
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 k-point    63 :       0.0909    0.0000    0.4545
  band No.  band energies     occupation 
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 k-point    64 :       0.0909    0.0909   -0.3636
  band No.  band energies     occupation 
      1       0.3137      1.00000
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      3      19.9366      0.00000
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 k-point    65 :       0.4545    0.3636    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
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 k-point    66 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.3137      1.00000
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      3      19.9366      0.00000
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 k-point    67 :       0.3636   -0.0909   -0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
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 k-point    68 :       0.4545    0.4545    0.3636
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
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 k-point    69 :       0.0000    0.0909    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
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 k-point    70 :      -0.0909    0.3636   -0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
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 k-point    71 :       0.3636    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.3137      1.00000
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      3      19.9366      0.00000
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 k-point    72 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1       0.3137      1.00000
      2       5.6422      1.00000
      3      19.9366      0.00000
      4      20.0169      0.00000
      5      21.8772      0.00000
      6      25.6061      0.00000
      7      28.4219      0.00000
      8      28.8619      0.00000

 k-point    73 :      -0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    74 :       0.0000   -0.4545    0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    75 :       0.0909    0.0000   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    76 :       0.0909    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    77 :      -0.4545    0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    78 :       0.0909   -0.4545    0.0000
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    79 :       0.4545   -0.0909   -0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    80 :      -0.4545   -0.4545    0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    81 :       0.0000    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    82 :      -0.0909    0.4545   -0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    83 :       0.4545   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    84 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1       2.2296      1.00000
      2       3.3529      1.00000
      3      18.9564      0.00000
      4      20.6862      0.00000
      5      22.5734      0.00000
      6      24.6826      0.00000
      7      27.8868      0.00000
      8      29.1312      0.00000

 k-point    85 :      -0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    86 :       0.0000   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    87 :       0.0909    0.0000   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    88 :       0.0909    0.0909    0.4545
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    89 :      -0.3636   -0.4545   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    90 :       0.0909   -0.3636    0.0000
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    91 :      -0.4545   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    92 :      -0.3636   -0.3636   -0.4545
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    93 :       0.0000    0.0909   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    94 :      -0.0909   -0.4545   -0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    95 :      -0.4545   -0.3636   -0.3636
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    96 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -0.5547      1.00000
      2       6.8708      1.00000
      3      18.4194      0.00000
      4      21.7850      0.00000
      5      23.7032      0.00000
      6      24.1679      0.00000
      7      27.2801      0.00000
      8      30.1840      0.00000

 k-point    97 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point    98 :       0.0000   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point    99 :       0.0909    0.0000   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   100 :       0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   101 :      -0.2727   -0.3636   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   102 :       0.0909   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   103 :      -0.3636   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   104 :      -0.2727   -0.2727   -0.3636
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   105 :       0.0000    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   106 :      -0.0909   -0.3636   -0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   107 :      -0.3636   -0.2727   -0.2727
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   108 :      -0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -2.7721      1.00000
      2      10.7998     -0.00000
      3      18.3459      0.00000
      4      23.2927      0.00000
      5      24.0640      0.00000
      6      25.2248      0.00000
      7      27.0502      0.00000
      8      30.4648      0.00000

 k-point   109 :      -0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   110 :       0.0000   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   111 :       0.0909    0.0000   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   112 :       0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   113 :      -0.1818   -0.2727   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   114 :       0.0909   -0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   115 :      -0.2727   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   116 :      -0.1818   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   117 :       0.0000    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   118 :      -0.0909   -0.2727   -0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   119 :      -0.2727   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   120 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      14.9058      0.00000
      3      18.7597      0.00000
      4      24.2859      0.00000
      5      25.1949      0.00000
      6      26.9169      0.00000
      7      27.2569      0.00000
      8      27.9032      0.00000

 k-point   121 :      -0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9015      0.00000
      7      27.6982      0.00000
      8      28.3038      0.00000

 k-point   122 :       0.0000   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9015      0.00000
      7      27.6982      0.00000
      8      28.3038      0.00000

 k-point   123 :       0.0909    0.0000   -0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9015      0.00000
      7      27.6982      0.00000
      8      28.3038      0.00000

 k-point   124 :       0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9015      0.00000
      7      27.6982      0.00000
      8      28.3038      0.00000

 k-point   125 :      -0.0909   -0.1818   -0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9015      0.00000
      7      27.6982      0.00000
      8      28.3038      0.00000

 k-point   126 :      -0.1818   -0.0909   -0.0909
  band No.  band energies     occupation 
      1      -5.4644      1.00000
      2      18.6955      0.00000
      3      19.9890      0.00000
      4      24.3980      0.00000
      5      26.0111      0.00000
      6      26.9015      0.00000
      7      27.6982      0.00000
      8      28.3038      0.00000

 k-point   127 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.6953      1.00000
      2      19.2900      0.00000
      3      19.3888      0.00000
      4      19.3888      0.00000
      5      22.6684      0.00000
      6      23.3394      0.00000
      7      31.6916      0.00000
      8      31.6916      0.00000

 k-point   128 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.6953      1.00000
      2      19.2900      0.00000
      3      19.3888      0.00000
      4      19.3888      0.00000
      5      22.6684      0.00000
      6      23.3394      0.00000
      7      31.6916      0.00000
      8      31.6916      0.00000

 k-point   129 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.6953      1.00000
      2      19.2900      0.00000
      3      19.3888      0.00000
      4      19.3888      0.00000
      5      22.6684      0.00000
      6      23.3394      0.00000
      7      31.6916      0.00000
      8      31.6916      0.00000

 k-point   130 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   131 :       0.0000    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   132 :       0.1818    0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   133 :       0.1818    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   134 :       0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   135 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   136 :       0.0909   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   137 :       0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   138 :       0.0000    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   139 :      -0.1818    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   140 :       0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   141 :       0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6376      1.00000
      2      15.4854      0.00000
      3      18.5849      0.00000
      4      19.8951      0.00000
      5      20.4137      0.00000
      6      23.8554      0.00000
      7      31.5318      0.00000
      8      32.3081      0.00000

 k-point   142 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   143 :       0.0000    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   144 :       0.1818    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   145 :       0.1818    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   146 :       0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   147 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   148 :       0.1818   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   149 :       0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   150 :       0.0000    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   151 :      -0.1818    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   152 :       0.1818    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   153 :       0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -2.0014      1.00000
      2      11.4758     -0.00000
      3      18.1514      0.00000
      4      18.2222      0.00000
      5      20.0799      0.00000
      6      26.1776      0.00000
      7      30.0043      0.00000
      8      32.3504      0.00000

 k-point   154 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   155 :       0.0000    0.4545    0.1818
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   156 :       0.1818    0.0000    0.4545
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   157 :       0.1818    0.1818   -0.2727
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   158 :       0.4545    0.2727    0.4545
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   159 :       0.1818    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   160 :       0.2727   -0.1818   -0.1818
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
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      8      32.1496      0.00000

 k-point   161 :       0.4545    0.4545    0.2727
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   162 :       0.0000    0.1818    0.4545
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
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      8      32.1496      0.00000

 k-point   163 :      -0.1818    0.2727   -0.1818
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   164 :       0.2727    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   165 :       0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1       0.2160      1.00000
      2       7.6148      1.00000
      3      16.5175      0.00000
      4      18.3066      0.00000
      5      20.2502      0.00000
      6      28.6339      0.00000
      7      28.9867      0.00000
      8      32.1496      0.00000

 k-point   166 :      -0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   167 :       0.0000   -0.4545    0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   168 :       0.1818    0.0000   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   169 :       0.1818    0.1818   -0.3636
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   170 :      -0.4545    0.3636   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   171 :       0.1818   -0.4545    0.0000
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   172 :       0.3636   -0.1818   -0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   173 :      -0.4545   -0.4545    0.3636
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   174 :       0.0000    0.1818   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   175 :      -0.1818    0.3636   -0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   176 :       0.3636   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   177 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1       2.9863      1.00000
      2       4.1320      1.00000
      3      15.3201      0.00000
      4      18.8366      0.00000
      5      20.8492      0.00000
      6      27.6069      0.00000
      7      30.3398      0.00000
      8      32.8401      0.00000

 k-point   178 :      -0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   179 :       0.0000   -0.3636    0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   180 :       0.1818    0.0000   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   181 :       0.1818    0.1818   -0.4545
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   182 :      -0.3636    0.4545   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   183 :       0.1818   -0.3636    0.0000
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   184 :       0.4545   -0.1818   -0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   185 :      -0.3636   -0.3636    0.4545
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   186 :       0.0000    0.1818   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   187 :      -0.1818    0.4545   -0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   188 :       0.4545   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
      7      29.8051      0.00000
      8      33.1041      0.00000

 k-point   189 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1       1.0907      1.00000
      2       6.3601      1.00000
      3      14.6075      0.00000
      4      19.8055      0.00000
      5      21.8931      0.00000
      6      26.9649      0.00000
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      8      33.1041      0.00000

 k-point   190 :      -0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   191 :       0.0000   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   192 :       0.1818    0.0000   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   193 :       0.1818    0.1818    0.4545
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   194 :      -0.2727   -0.4545   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   195 :       0.1818   -0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   196 :      -0.4545   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   197 :      -0.2727   -0.2727   -0.4545
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   198 :       0.0000    0.1818   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   199 :      -0.1818   -0.4545   -0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   200 :      -0.4545   -0.2727   -0.2727
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   201 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -1.3250      1.00000
      2      10.0487     -0.00000
      3      14.4546      0.00000
      4      21.2015      0.00000
      5      23.3558      0.00000
      6      26.6913      0.00000
      7      29.2947      0.00000
      8      29.9817      0.00000

 k-point   202 :      -0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   203 :       0.0000   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   204 :       0.1818    0.0000   -0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   205 :       0.1818    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   206 :      -0.1818   -0.3636   -0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   207 :      -0.3636   -0.1818   -0.1818
  band No.  band energies     occupation 
      1      -3.1565      1.00000
      2      13.4176     -0.00000
      3      15.3767      0.00000
      4      23.0037      0.00000
      5      25.1696      0.00000
      6      26.3114      0.00000
      7      27.7131      0.00000
      8      28.5865      0.00000

 k-point   208 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.7718      1.00000
      2      17.2647      0.00000
      3      17.5305      0.00000
      4      17.6178      0.00000
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      6      21.7812      0.00000
      7      34.0103      0.00000
      8      35.0597      0.00000

 k-point   209 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.7718      1.00000
      2      17.2647      0.00000
      3      17.5305      0.00000
      4      17.6178      0.00000
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      6      21.7812      0.00000
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      8      35.0597      0.00000

 k-point   210 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.7718      1.00000
      2      17.2647      0.00000
      3      17.5305      0.00000
      4      17.6178      0.00000
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      6      21.7812      0.00000
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 k-point   211 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
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      6      22.5333      0.00000
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      8      35.6046      0.00000

 k-point   212 :       0.0000    0.3636    0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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      6      22.5333      0.00000
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 k-point   213 :       0.2727    0.0000    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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 k-point   214 :       0.2727    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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 k-point   215 :       0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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 k-point   216 :       0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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 k-point   217 :       0.0909   -0.2727   -0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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 k-point   218 :       0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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 k-point   219 :       0.0000    0.2727    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
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      6      22.5333      0.00000
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 k-point   220 :      -0.2727    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
      7      33.2801      0.00000
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 k-point   221 :       0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
      5      18.4915      0.00000
      6      22.5333      0.00000
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 k-point   222 :       0.3636    0.0000    0.2727
  band No.  band energies     occupation 
      1      -1.3285      1.00000
      2      13.7952     -0.00000
      3      15.2266      0.00000
      4      17.0971      0.00000
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      6      22.5333      0.00000
      7      33.2801      0.00000
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 k-point   223 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
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      6      25.1571      0.00000
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 k-point   224 :       0.0000    0.4545    0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
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      6      25.1571      0.00000
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 k-point   225 :       0.2727    0.0000    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
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 k-point   226 :       0.2727    0.2727   -0.1818
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
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      6      25.1571      0.00000
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 k-point   227 :       0.4545    0.1818    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
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      6      25.1571      0.00000
      7      31.9721      0.00000
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 k-point   228 :       0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
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 k-point   229 :       0.1818   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
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      6      25.1571      0.00000
      7      31.9721      0.00000
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 k-point   230 :       0.4545    0.4545    0.1818
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
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 k-point   231 :       0.0000    0.2727    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
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 k-point   232 :      -0.2727    0.1818   -0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
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 k-point   233 :       0.1818    0.4545    0.4545
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
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 k-point   234 :       0.4545    0.0000    0.2727
  band No.  band energies     occupation 
      1       0.6919      1.00000
      2      10.0385     -0.00000
      3      13.3281     -0.00000
      4      17.0284      0.00000
      5      18.7972      0.00000
      6      25.1571      0.00000
      7      31.9721      0.00000
      8      34.9319      0.00000

 k-point   235 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   236 :       0.0000   -0.4545    0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   237 :       0.2727    0.0000   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   238 :       0.2727    0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   239 :      -0.4545    0.2727   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   240 :       0.2727   -0.4545    0.0000
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   241 :       0.2727   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   242 :      -0.4545   -0.4545    0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   243 :       0.0000    0.2727   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   244 :      -0.2727    0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   245 :       0.2727   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   246 :      -0.4545    0.0000    0.2727
  band No.  band energies     occupation 
      1       3.2653      1.00000
      2       6.4906      1.00000
      3      11.9032     -0.00000
      4      17.4126      0.00000
      5      19.3154      0.00000
      6      28.3879      0.00000
      7      30.8838      0.00000
      8      33.8634      0.00000

 k-point   247 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   248 :       0.0000   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   249 :       0.2727    0.0000   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   250 :       0.2727    0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   251 :      -0.3636    0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   252 :       0.2727   -0.3636    0.0000
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   253 :       0.3636   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   254 :      -0.3636   -0.3636    0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   255 :       0.0000    0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   256 :      -0.2727    0.3636   -0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   257 :       0.3636   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   258 :      -0.3636    0.0000    0.2727
  band No.  band energies     occupation 
      1       3.3141      1.00000
      2       6.3271      1.00000
      3      11.0584     -0.00000
      4      18.2436      0.00000
      5      20.2539      0.00000
      6      30.1367      0.00000
      7      31.5299      0.00000
      8      32.8989      0.00000

 k-point   259 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   260 :       0.0000   -0.2727    0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   261 :       0.2727    0.0000   -0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   262 :       0.2727    0.2727   -0.4545
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   263 :      -0.2727    0.4545   -0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   264 :       0.4545   -0.2727   -0.2727
  band No.  band energies     occupation 
      1       0.7071      1.00000
      2       9.1170     -0.00150
      3      11.4108     -0.00000
      4      19.5112      0.00000
      5      21.6214      0.00000
      6      29.4388      0.00000
      7      30.1822      0.00000
      8      31.2869      0.00000

 k-point   265 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -0.0821      1.00000
      2      12.5956     -0.00000
      3      15.8757      0.00000
      4      16.4191      0.00000
      5      16.4191      0.00000
      6      20.6175      0.00000
      7      35.8855      0.00000
      8      37.6580      0.00000

 k-point   266 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -0.0821      1.00000
      2      12.5956     -0.00000
      3      15.8757      0.00000
      4      16.4191      0.00000
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      6      20.6175      0.00000
      7      35.8855      0.00000
      8      37.6580      0.00000

 k-point   267 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -0.0821      1.00000
      2      12.5956     -0.00000
      3      15.8757      0.00000
      4      16.4191      0.00000
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      6      20.6175      0.00000
      7      35.8855      0.00000
      8      37.6580      0.00000

 k-point   268 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   269 :       0.0000    0.4545    0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   270 :       0.3636    0.0000    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   271 :       0.3636    0.3636   -0.0909
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   272 :       0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   273 :       0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   274 :       0.0909   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   275 :       0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   276 :       0.0000    0.3636    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   277 :      -0.3636    0.0909   -0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   278 :       0.0909    0.4545    0.4545
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   279 :       0.4545    0.0000    0.3636
  band No.  band energies     occupation 
      1       1.7266      1.00000
      2      10.4144     -0.00000
      3      12.8251     -0.00000
      4      16.1954      0.00000
      5      17.5096      0.00000
      6      21.6778      0.00000
      7      35.4088      0.00000
      8      37.7384      0.00000

 k-point   280 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   281 :       0.0000   -0.4545    0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   282 :       0.3636    0.0000   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   283 :       0.3636    0.3636   -0.1818
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30697
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   284 :      -0.4545    0.1818   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   285 :       0.3636   -0.4545    0.0000
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   286 :       0.1818   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30697
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   287 :      -0.4545   -0.4545    0.1818
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   288 :       0.0000    0.3636   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6201      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   289 :      -0.3636    0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30697
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   290 :       0.1818   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   291 :      -0.4545    0.0000    0.3636
  band No.  band energies     occupation 
      1       4.0203      1.00000
      2       8.6809      0.30698
      3       9.5165     -0.00000
      4      16.4281      0.00000
      5      18.1410      0.00000
      6      24.6202      0.00000
      7      34.3890      0.00000
      8      36.6029      0.00000

 k-point   292 :      -0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73213
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   293 :       0.0000   -0.3636    0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73213
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   294 :       0.3636    0.0000   -0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73213
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   295 :       0.3636    0.3636   -0.2727
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73213
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   296 :      -0.3636    0.2727   -0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73213
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   297 :       0.2727   -0.3636   -0.3636
  band No.  band energies     occupation 
      1       6.0573      1.00000
      2       6.1252      1.00000
      3       8.5721      0.73213
      4      17.1139      0.00000
      5      18.9948      0.00000
      6      28.1602      0.00000
      7      33.5673      0.00000
      8      33.6491      0.00000

 k-point   298 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1       3.2556      1.00000
      2       8.0673      1.00025
      3      15.1727      0.00000
      4      15.8159      0.00000
      5      15.8159      0.00000
      6      20.0027      0.00000
      7      37.6776      0.00000
      8      39.3704      0.00000

 k-point   299 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1       3.2556      1.00000
      2       8.0673      1.00025
      3      15.1727      0.00000
      4      15.8159      0.00000
      5      15.8159      0.00000
      6      20.0027      0.00000
      7      37.6776      0.00000
      8      39.3704      0.00000

 k-point   300 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1       3.2556      1.00000
      2       8.0673      1.00025
      3      15.1727      0.00000
      4      15.8159      0.00000
      5      15.8159      0.00000
      6      20.0027      0.00000
      7      37.6776      0.00000
      8      39.3704      0.00000

 k-point   301 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3740      0.00000

 k-point   302 :       0.0000   -0.4545    0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3723      0.00000

 k-point   303 :       0.4545    0.0000   -0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3722      0.00000

 k-point   304 :       0.4545    0.4545   -0.0909
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3722      0.00000

 k-point   305 :      -0.4545    0.0909   -0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3722      0.00000

 k-point   306 :       0.0909   -0.4545   -0.4545
  band No.  band energies     occupation 
      1       4.6282      1.00000
      2       6.9223      1.00000
      3      12.4748     -0.00000
      4      15.8939      0.00000
      5      17.1798      0.00000
      6      21.3835      0.00000
      7      37.2007      0.00000
      8      38.3724      0.00000

 k-point   307 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   308 :       0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   309 :       0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   310 :       0.1818    0.0909   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   311 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   312 :       0.0909   -0.1818   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   313 :       0.0909    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   314 :       0.0909   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   315 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   316 :      -0.0909    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   317 :      -0.1818    0.0909   -0.0909
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   318 :       0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.3108      1.00000
      2      16.1178      0.00000
      3      17.7222      0.00000
      4      22.9943      0.00000
      5      23.0052      0.00000
      6      25.2187      0.00000
      7      29.3887      0.00000
      8      29.9477      0.00000

 k-point   319 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   320 :       0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   321 :       0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   322 :       0.1818    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   323 :       0.3636    0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   324 :       0.0909   -0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   325 :       0.0909    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   326 :       0.1818   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   327 :      -0.2727   -0.1818   -0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   328 :       0.2727    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   329 :      -0.0909    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   330 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   331 :      -0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   332 :      -0.1818    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   333 :      -0.3636   -0.2727   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   334 :       0.1818    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   335 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   336 :       0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   337 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   338 :      -0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   339 :      -0.1818   -0.3636   -0.2727
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   340 :      -0.3636   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   341 :      -0.1818   -0.3636   -0.0909
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   342 :      -0.0909   -0.1818   -0.3636
  band No.  band energies     occupation 
      1      -2.8678      1.00000
      2      12.5321     -0.00000
      3      16.6469      0.00000
      4      20.8629      0.00000
      5      23.3212      0.00000
      6      26.8379      0.00000
      7      27.7635      0.00000
      8      30.3247      0.00000

 k-point   343 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   344 :       0.0909    0.4545    0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   345 :       0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
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 k-point   346 :       0.1818    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   347 :       0.4545    0.2727    0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   348 :       0.0909   -0.3636   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
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 k-point   349 :       0.0909    0.3636   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   350 :       0.2727   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   351 :      -0.3636   -0.2727   -0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   352 :       0.3636    0.4545    0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   353 :      -0.0909    0.0909   -0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   354 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   355 :      -0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   356 :      -0.1818    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   357 :      -0.4545   -0.3636   -0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   358 :       0.2727    0.3636    0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   359 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   360 :       0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   361 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   362 :      -0.0909   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   363 :      -0.2727   -0.4545   -0.3636
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   364 :      -0.4545   -0.0909   -0.1818
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   365 :      -0.1818   -0.4545   -0.0909
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   366 :      -0.0909   -0.1818   -0.4545
  band No.  band energies     occupation 
      1      -0.8438      1.00000
      2       8.6143      0.55447
      3      16.4981      0.00000
      4      19.1297      0.00000
      5      23.4175      0.00000
      6      25.9432      0.00000
      7      29.5821      0.00000
      8      30.7810      0.00000

 k-point   367 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   368 :       0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   369 :       0.1818    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   370 :       0.1818    0.0909   -0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   371 :      -0.4545    0.3636    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   372 :       0.0909   -0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   373 :       0.0909    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   374 :       0.3636   -0.0909   -0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   375 :      -0.4545   -0.3636    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   376 :       0.4545   -0.4545    0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   377 :      -0.0909    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   378 :      -0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   379 :      -0.0909    0.0909    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   380 :      -0.1818    0.3636   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   381 :       0.4545   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   382 :       0.3636    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   383 :      -0.4545   -0.0909    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   384 :       0.0909   -0.3636    0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   385 :       0.4545   -0.0909    0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   386 :      -0.0909   -0.1818    0.3636
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   387 :      -0.3636    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   388 :       0.4545   -0.0909   -0.1818
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   389 :      -0.1818    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   390 :      -0.0909   -0.1818    0.4545
  band No.  band energies     occupation 
      1       1.7610      1.00000
      2       4.9660      1.00000
      3      16.8325      0.00000
      4      17.8633      0.00000
      5      23.8235      0.00000
      6      24.7464      0.00000
      7      30.6401      0.00000
      8      31.8006      0.00000

 k-point   391 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   392 :       0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   393 :       0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   394 :       0.2727    0.1818   -0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   395 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   396 :       0.0909   -0.2727   -0.1818
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   397 :       0.1818    0.2727   -0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   398 :       0.0909   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   399 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   400 :      -0.1818    0.0909   -0.2727
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   401 :      -0.2727    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   402 :       0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.3865      1.00000
      2      14.1098      0.00000
      3      15.8413      0.00000
      4      17.9472      0.00000
      5      21.2512      0.00000
      6      23.8215      0.00000
      7      30.7891      0.00000
      8      34.0136      0.00000

 k-point   403 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   404 :       0.0909    0.4545    0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   405 :       0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   406 :       0.2727    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   407 :       0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   408 :       0.0909   -0.3636   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   409 :       0.1818    0.3636   -0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   410 :       0.1818   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   411 :      -0.3636   -0.1818   -0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   412 :       0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   413 :      -0.1818    0.0909   -0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   414 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   415 :      -0.0909    0.1818    0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   416 :      -0.2727    0.1818   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   417 :      -0.4545   -0.3636   -0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   418 :       0.1818    0.3636    0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   419 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   420 :       0.1818   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   421 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   422 :      -0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   423 :      -0.1818   -0.4545   -0.3636
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   424 :      -0.4545   -0.0909   -0.2727
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   425 :      -0.2727   -0.4545   -0.0909
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   426 :      -0.0909   -0.2727   -0.4545
  band No.  band energies     occupation 
      1      -0.5555      1.00000
      2      10.7661     -0.00000
      3      14.9494      0.00000
      4      16.0469      0.00000
      5      21.9222      0.00000
      6      25.8069      0.00000
      7      29.2957      0.00000
      8      34.5022      0.00000

 k-point   427 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   428 :       0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   429 :       0.2727    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   430 :       0.2727    0.1818   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   431 :      -0.4545    0.2727    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   432 :       0.0909   -0.4545   -0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   433 :       0.1818    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   434 :       0.2727   -0.1818   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   435 :      -0.4545   -0.2727    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   436 :       0.4545   -0.4545    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   437 :      -0.1818    0.0909   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   438 :      -0.2727    0.2727    0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   439 :      -0.0909    0.1818    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   440 :      -0.2727    0.2727   -0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   441 :       0.4545   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   442 :       0.2727    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   443 :      -0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   444 :       0.1818   -0.2727    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   445 :       0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   446 :      -0.1818   -0.2727    0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   447 :      -0.2727    0.4545   -0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   448 :       0.4545   -0.0909   -0.2727
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   449 :      -0.2727    0.4545   -0.0909
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   450 :      -0.0909   -0.2727    0.4545
  band No.  band energies     occupation 
      1       1.8522      1.00000
      2       7.1222      1.00000
      3      14.2378      0.00000
      4      15.3870      0.00000
      5      22.3469      0.00000
      6      27.7538      0.00000
      7      29.0708      0.00000
      8      34.1965      0.00000

 k-point   451 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   452 :       0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   453 :       0.2727    0.0909   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   454 :       0.2727    0.1818   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   455 :      -0.3636    0.3636   -0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   456 :       0.0909    0.4545   -0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   457 :       0.1818   -0.4545   -0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   458 :       0.3636   -0.1818   -0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   459 :       0.4545   -0.3636    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   460 :      -0.4545   -0.3636    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   461 :      -0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   462 :      -0.3636    0.2727    0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   463 :      -0.0909    0.1818   -0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   464 :      -0.2727    0.3636   -0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   465 :       0.3636    0.4545   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   466 :       0.3636   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   467 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   468 :       0.1818   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   469 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   470 :      -0.1818   -0.2727    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   471 :      -0.3636    0.3636    0.4545
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   472 :       0.3636   -0.0909   -0.2727
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   473 :      -0.2727    0.3636   -0.0909
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   474 :      -0.0909   -0.2727    0.3636
  band No.  band energies     occupation 
      1       3.7619      1.00000
      2       4.8614      1.00000
      3      13.2507     -0.00000
      4      16.0243      0.00000
      5      23.0892      0.00000
      6      26.9301      0.00000
      7      31.9998      0.00000
      8      32.6183      0.00000

 k-point   475 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   476 :       0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   477 :       0.2727    0.0909   -0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   478 :       0.2727    0.1818   -0.4545
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   479 :      -0.2727    0.4545   -0.3636
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   480 :       0.0909    0.3636   -0.1818
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   481 :       0.1818   -0.3636   -0.0909
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   482 :       0.4545   -0.1818   -0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   483 :       0.3636   -0.4545    0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   484 :      -0.3636   -0.2727    0.4545
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   485 :      -0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   486 :      -0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   487 :      -0.0909    0.1818   -0.3636
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   488 :      -0.2727    0.4545   -0.1818
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   489 :       0.2727    0.3636   -0.4545
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   490 :       0.4545   -0.3636   -0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   491 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   492 :       0.1818   -0.4545    0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   493 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   494 :      -0.1818   -0.2727    0.4545
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   495 :      -0.4545    0.2727    0.3636
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   496 :       0.2727   -0.0909   -0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   497 :      -0.2727    0.2727   -0.0909
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   498 :      -0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1       0.9941      1.00000
      2       8.2077      1.00581
      3      12.7753     -0.00000
      4      17.2006      0.00000
      5      24.2159      0.00000
      6      26.3168      0.00000
      7      29.7361      0.00000
      8      33.0063      0.00000

 k-point   499 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   500 :       0.0909   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   501 :       0.2727    0.0909   -0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   502 :       0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   503 :      -0.1818   -0.4545   -0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   504 :       0.0909    0.2727   -0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   505 :      -0.4545   -0.1818   -0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   506 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   507 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   508 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   509 :       0.1818    0.2727    0.4545
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   510 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -1.2285      1.00000
      2      11.3082     -0.00000
      3      13.4271     -0.00000
      4      18.8303      0.00000
      5      25.4847      0.00000
      6      25.6631      0.00000
      7      27.4739      0.00000
      8      32.1822      0.00000

 k-point   511 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   512 :       0.0909    0.4545    0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   513 :       0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   514 :       0.3636    0.2727   -0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   515 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   516 :       0.0909   -0.3636   -0.2727
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   517 :       0.2727    0.3636   -0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   518 :       0.0909   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   519 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   520 :      -0.2727    0.0909   -0.3636
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   521 :      -0.3636    0.0909   -0.2727
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   522 :       0.0909    0.3636    0.4545
  band No.  band energies     occupation 
      1       0.3054      1.00000
      2      12.7390     -0.00000
      3      12.8773     -0.00000
      4      14.7418      0.00000
      5      20.0292      0.00000
      6      22.7580      0.00000
      7      32.7241      0.00000
      8      37.3984      0.00000

 k-point   523 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   524 :       0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   525 :       0.3636    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   526 :       0.3636    0.2727   -0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   527 :      -0.4545    0.1818    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   528 :       0.0909   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   529 :       0.2727    0.4545   -0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   530 :       0.1818   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   531 :      -0.4545   -0.1818    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   532 :       0.4545   -0.4545    0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   533 :      -0.2727    0.0909   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   534 :      -0.1818    0.3636    0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   535 :      -0.0909    0.2727    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   536 :      -0.3636    0.1818   -0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   537 :       0.4545   -0.4545   -0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   538 :       0.1818    0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   539 :      -0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   540 :       0.2727   -0.1818    0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   541 :       0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   542 :      -0.2727   -0.3636    0.1818
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   543 :      -0.1818    0.4545   -0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   544 :       0.4545   -0.0909   -0.3636
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   545 :      -0.3636    0.4545   -0.0909
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   546 :      -0.0909   -0.3636    0.4545
  band No.  band energies     occupation 
      1       2.5004      1.00000
      2       9.6575     -0.00000
      3      11.1854     -0.00000
      4      14.1751      0.00000
      5      21.0257      0.00000
      6      25.0487      0.00000
      7      31.4779      0.00000
      8      36.3536      0.00000

 k-point   547 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   548 :       0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   549 :       0.3636    0.0909   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   550 :       0.3636    0.2727   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   551 :      -0.3636    0.2727   -0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   552 :       0.0909    0.4545   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   553 :       0.2727   -0.4545   -0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   554 :       0.2727   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   555 :       0.4545   -0.2727    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   556 :      -0.4545   -0.3636    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   557 :      -0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   558 :      -0.2727    0.3636    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   559 :      -0.0909    0.2727   -0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   560 :      -0.3636    0.2727   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   561 :       0.3636    0.4545   -0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   562 :       0.2727   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   563 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   564 :       0.2727   -0.2727    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   565 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   566 :      -0.2727   -0.3636    0.2727
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   567 :      -0.2727    0.3636    0.4545
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   568 :       0.3636   -0.0909   -0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   569 :      -0.3636    0.3636   -0.0909
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   570 :      -0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1       5.1483      1.00000
      2       6.3754      1.00000
      3       9.9824     -0.00000
      4      14.6560      0.00000
      5      21.7657      0.00000
      6      28.3100      0.00000
      7      30.4490      0.00000
      8      33.4480      0.00000

 k-point   571 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   572 :       0.0909   -0.2727    0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   573 :       0.3636    0.0909   -0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   574 :       0.3636    0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   575 :      -0.2727    0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   576 :       0.0909    0.3636   -0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   577 :       0.3636   -0.2727   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   578 :       0.3636   -0.3636    0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   579 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   580 :      -0.3636    0.3636    0.2727
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   581 :       0.2727    0.3636   -0.3636
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   582 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1       3.4064      1.00000
      2       7.6306      1.00000
      3       9.9922     -0.00000
      4      15.6914      0.00000
      5      22.8135      0.00000
      6      29.1074      0.00000
      7      30.2678      0.00000
      8      32.3057      0.00000

 k-point   583 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   584 :       0.0909   -0.4545    0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   585 :       0.4545    0.0909   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   586 :       0.4545    0.3636   -0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   587 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   588 :       0.0909   -0.4545   -0.3636
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   589 :       0.3636    0.4545   -0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   590 :       0.0909   -0.3636   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   591 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   592 :      -0.3636    0.0909   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   593 :      -0.4545    0.0909   -0.3636
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   594 :       0.0909    0.4545   -0.4545
  band No.  band energies     occupation 
      1       3.6393      1.00000
      2       8.4392      1.02067
      3      12.0482     -0.00000
      4      14.0433     -0.00000
      5      19.4105      0.00000
      6      22.1934      0.00000
      7      35.0597      0.00000
      8      37.3438      0.00000

 k-point   595 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   596 :       0.0909   -0.3636    0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   597 :       0.4545    0.0909   -0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   598 :       0.4545    0.3636   -0.1818
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   599 :      -0.3636    0.1818   -0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   600 :       0.0909    0.4545   -0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   601 :       0.1818   -0.3636   -0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   602 :       0.4545   -0.1818    0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   603 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   604 :      -0.1818    0.4545    0.3636
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   605 :       0.3636    0.4545   -0.1818
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   606 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1       5.3776      1.00000
      2       7.6521      1.00000
      3       9.4110     -0.00000
      4      13.8281     -0.00000
      5      20.7214      0.00000
      6      24.7844      0.00000
      7      33.7135      0.00000
      8      34.4819      0.00000

 k-point   607 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   608 :       0.1818   -0.4545    0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   609 :       0.3636    0.1818   -0.4545
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   610 :       0.3636    0.1818   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   611 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   612 :       0.1818   -0.3636   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   613 :       0.1818    0.3636   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   614 :       0.1818   -0.1818   -0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
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      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   615 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   616 :      -0.1818    0.1818   -0.3636
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
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      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   617 :      -0.3636    0.1818   -0.1818
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
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      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   618 :       0.1818    0.3636   -0.4545
  band No.  band energies     occupation 
      1       1.4687      1.00000
      2       9.8690     -0.00000
      3      11.9980     -0.00000
      4      14.1485      0.00000
      5      24.3585      0.00000
      6      26.2702      0.00000
      7      27.9576      0.00000
      8      35.8135      0.00000

 k-point   619 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   620 :       0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   621 :       0.3636    0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   622 :       0.3636    0.1818   -0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   623 :      -0.3636    0.2727    0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   624 :       0.1818   -0.4545   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   625 :       0.1818    0.4545   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
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 k-point   626 :       0.2727   -0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   627 :      -0.4545   -0.2727    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   628 :       0.4545   -0.3636    0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   629 :      -0.1818    0.1818   -0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   630 :      -0.2727    0.3636    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   631 :      -0.1818    0.1818    0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   632 :      -0.3636    0.2727   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   633 :       0.3636   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   634 :       0.2727    0.4545   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   635 :      -0.4545   -0.1818    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   636 :       0.1818   -0.2727    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   637 :       0.4545   -0.1818    0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   638 :      -0.1818   -0.3636    0.2727
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   639 :      -0.2727    0.3636   -0.4545
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   640 :       0.3636   -0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   641 :      -0.3636    0.3636   -0.1818
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   642 :      -0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1       4.0430      1.00000
      2       7.0916      1.00000
      3      11.5834     -0.00000
      4      12.8367     -0.00000
      5      25.4600      0.00000
      6      26.4627      0.00000
      7      29.1338      0.00000
      8      32.8073      0.00000

 k-point   643 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   644 :       0.1818   -0.3636    0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   645 :       0.4545    0.1818   -0.3636
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   646 :       0.4545    0.2727   -0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   647 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   648 :       0.1818   -0.4545   -0.2727
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   649 :       0.2727    0.4545   -0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   650 :       0.1818   -0.2727   -0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   651 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   652 :      -0.2727    0.1818   -0.4545
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   653 :      -0.4545    0.1818   -0.2727
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   654 :       0.1818    0.4545   -0.3636
  band No.  band energies     occupation 
      1       4.7884      1.00000
      2       9.1472     -0.00077
      3       9.4548     -0.00000
      4      11.6196     -0.00000
      5      23.7697      0.00000
      6      25.8952      0.00000
      7      30.2310      0.00000
      8      33.4494      0.00000

 k-point   655 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   656 :       0.1818   -0.2727    0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   657 :       0.4545    0.1818   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   658 :       0.4545    0.2727   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   659 :      -0.2727    0.2727   -0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   660 :       0.1818    0.4545   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   661 :       0.2727   -0.2727   -0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   662 :       0.4545   -0.2727    0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   663 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   664 :      -0.2727    0.4545    0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   665 :       0.2727    0.4545   -0.2727
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000

 k-point   666 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1       6.6790      1.00000
      2       6.8892      1.00000
      3       9.1802     -0.00038
      4      11.5901     -0.00000
      5      25.2183      0.00000
      6      28.4797      0.00000
      7      28.5784      0.00000
      8      30.8395      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  7.882  13.446  -0.000   0.000   0.000  -0.000   0.000   0.000
 13.446  22.933  -0.000   0.000   0.000  -0.000   0.000   0.000
 -0.000  -0.000   1.891   0.000   0.000   5.459   0.000   0.000
  0.000   0.000   0.000   1.891   0.000   0.000   5.459   0.000
  0.000   0.000   0.000   0.000   1.891   0.000   0.000   5.459
 -0.000  -0.000   5.459   0.000   0.000  15.645   0.000   0.000
  0.000   0.000   0.000   5.459   0.000   0.000  15.645   0.000
  0.000   0.000   0.000   0.000   5.459   0.000   0.000  15.645
 pseudopotential strength for first ion, spin component:           2
  7.882  13.446  -0.000   0.000   0.000  -0.000   0.000   0.000
 13.446  22.933  -0.000   0.000   0.000  -0.000   0.000   0.000
 -0.000  -0.000   1.891   0.000   0.000   5.459   0.000   0.000
  0.000   0.000   0.000   1.891   0.000   0.000   5.459   0.000
  0.000   0.000   0.000   0.000   1.891   0.000   0.000   5.459
 -0.000  -0.000   5.459   0.000   0.000  15.645   0.000   0.000
  0.000   0.000   0.000   5.459   0.000   0.000  15.645   0.000
  0.000   0.000   0.000   0.000   5.459   0.000   0.000  15.645
 total augmentation occupancy for first ion, spin component:           1
111.643 -59.734  -0.000   0.000   0.000   0.000  -0.000  -0.000
-59.734  31.961   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   2.341  -0.000  -0.000  -0.366   0.000   0.000
  0.000  -0.000  -0.000   2.341  -0.000   0.000  -0.366   0.000
  0.000  -0.000  -0.000  -0.000   2.341   0.000   0.000  -0.366
  0.000  -0.000  -0.366   0.000   0.000   0.057  -0.000  -0.000
 -0.000   0.000   0.000  -0.366   0.000  -0.000   0.057  -0.000
 -0.000   0.000   0.000   0.000  -0.366  -0.000  -0.000   0.057
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


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


    FORLOC:  cpu time      0.0001: real time      0.0001
    FORHF :  cpu time    819.7745: real time    823.0121
    FORNL :  cpu time      0.0391: real time      0.0393
    FORCOR:  cpu time      0.8295: real time      0.8311
    OFIELD:  cpu time      0.0000: real time      0.0000

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :       15.60
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  1.983333333  1.983333333    -0.252100840  0.252100840  0.252100840
     1.983333333  0.000000000  1.983333333     0.252100840 -0.252100840  0.252100840
     1.983333333  1.983333333  0.000000000     0.252100840  0.252100840 -0.252100840

  length of vectors
     2.804856899  2.804856899  2.804856899     0.436651464  0.436651464  0.436651464


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.294E-06 0.793E-07 -.772E-07   -.810E-17 0.174E-15 -.620E-16   0.640E-06 -.955E-07 0.145E-06
 -----------------------------------------------------------------------------------------------
   0.988E-05 -.217E-04 0.441E-04   -.810E-17 0.174E-15 -.620E-16   0.640E-06 -.955E-07 0.145E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000011     -0.000022      0.000044
 -----------------------------------------------------------------------------------
    total drift:                                0.000011     -0.000022      0.000044


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -2.92635306 eV

  energy  without entropy=       -2.92367468  energy(sigma->0) =       -2.92546027
 


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


    POTLOK:  cpu time      0.8298: real time      0.8314


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


 writing wavefunctions
     LOOP+:  cpu time  32028.9605: real time  32160.9123
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0    47739. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       3922. kBytes
   fftplans  :        219. kBytes
   grid      :        424. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        152. kBytes
   wavefun   :      12786. kBytes
   fock_wrk  :        226. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    32034.193
                            User time (sec):    31924.951
                          System time (sec):      109.242
                         Elapsed time (sec):    32166.493
  
                   Maximum memory used (kb):      266268.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       206653
                          Major page faults:            1
                 Voluntary context switches:          688
