 vasp.6.3.2 27Jun22 (build Jan 30 2023 11:23:05) complex                        
  
 executed on             LinuxIFC date 2023.03.29  11:46:35
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   4 cores,    4 groups


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


 INCAR:
   SYSTEM = Al Lattice Relaxation  HSE06-1/2x vdW-DF2, Parralel 2D minimization
   GGA = PE
   LHFCALC = .TRUE.
   HFSCREEN = 0.2
   AEXX = 0.5
   AGGAC = 0.0
   LUSE_VDW = .TRUE.
   ZAB_VDW = -1.8667
   LASPH = .TRUE.
   PREC = Accurate
   ALGO = Damped
   TIME = 0.2
   ENCUT = 400
   NELM = 100
   NELMIN = 2
   ICHARGE = 1
   ISTART = 1
   ISPIN = 2
   ISYM = 0
   ISMEAR = 1
   SIGMA = 0.2
   IBRION = -1
   NSW = 0
   EDIFFG = -0.005
   ADDGRID = .TRUE.
   EDIFF = 1.E-5
   LCHARGE = .TRUE.
   LWAVE = .TRUE.
   NPAR = 4
   DEFAULT = Nr_Cores
   OPTIMUM = sqrt(Nr_Cores) and int multpl of Nr_Cores
   KPAR = 1
   LPLANE = .TRUE.
   NSIM = 4

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

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

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


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.86   2 2.86   2 2.86
   2  0.333  0.333  0.106-   3 2.82   3 2.82   3 2.82   1 2.86   1 2.86   1 2.86
   3  0.667  0.667  0.210-   2 2.82   2 2.82   2 2.82   4 2.86   4 2.86   4 2.86
   4  0.000  0.000  0.316-   3 2.86   3 2.86   3 2.86
 

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


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

                                     Primitive cell                                     

  volume of cell :     155.5608

  direct lattice vectors                    reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000
     0.333333333  0.333333333  0.106053564
     0.666666667  0.666666667  0.209834331
     0.000000000  0.000000000  0.315887895

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4

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

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   24   24    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.014581716 -0.008418758  0.000000000     0.041666667  0.000000000  0.000000000
     0.000000000  0.016837515  0.000000000     0.000000000  0.041666667  0.000000000
     0.000000000  0.000000000  0.045455954     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.016837515  0.016837515  0.045455954

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

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    290 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.041667 -0.000000  0.000000      2.000000
  0.041667  0.041667  0.000000      2.000000
  0.000000  0.041667  0.000000      2.000000
  0.083333  0.000000  0.000000      2.000000
  0.083333  0.083333  0.000000      2.000000
  0.000000  0.083333  0.000000      2.000000
  0.125000  0.000000  0.000000      2.000000
  0.125000  0.125000  0.000000      2.000000
  0.000000  0.125000  0.000000      2.000000
  0.166667 -0.000000  0.000000      2.000000
  0.166667  0.166667  0.000000      2.000000
  0.000000  0.166667  0.000000      2.000000
  0.208333  0.000000  0.000000      2.000000
  0.208333  0.208333  0.000000      2.000000
  0.000000  0.208333  0.000000      2.000000
  0.250000  0.000000  0.000000      2.000000
  0.250000  0.250000  0.000000      2.000000
  0.000000  0.250000  0.000000      2.000000
  0.291667  0.000000  0.000000      2.000000
  0.291667  0.291667  0.000000      2.000000
  0.000000  0.291667  0.000000      2.000000
  0.333333  0.000000  0.000000      2.000000
  0.333333  0.333333  0.000000      2.000000
  0.000000  0.333333  0.000000      2.000000
  0.375000  0.000000  0.000000      2.000000
  0.375000  0.375000  0.000000      2.000000
  0.000000  0.375000  0.000000      2.000000
  0.416667  0.000000  0.000000      2.000000
  0.416667  0.416667  0.000000      2.000000
  0.000000  0.416667  0.000000      2.000000
  0.458333  0.000000  0.000000      2.000000
  0.458333  0.458333  0.000000      2.000000
  0.000000  0.458333  0.000000      2.000000
  0.500000  0.000000  0.000000      1.000000
  0.500000  0.500000  0.000000      1.000000
  0.000000  0.500000  0.000000      1.000000
  0.083333  0.041667  0.000000      2.000000
  0.041667  0.083333  0.000000      2.000000
 -0.041667  0.041667  0.000000      2.000000
  0.125000  0.041667  0.000000      2.000000
  0.083333  0.125000  0.000000      2.000000
 -0.041667  0.083333  0.000000      2.000000
  0.083333 -0.041667  0.000000      2.000000
 -0.041667 -0.125000  0.000000      2.000000
 -0.125000 -0.083333  0.000000      2.000000
  0.166667  0.041667  0.000000      2.000000
  0.125000  0.166667  0.000000      2.000000
 -0.041667  0.125000  0.000000      2.000000
  0.125000 -0.041667  0.000000      2.000000
 -0.041667 -0.166667  0.000000      2.000000
 -0.166667 -0.125000  0.000000      2.000000
  0.208333  0.041667  0.000000      2.000000
  0.166667  0.208333  0.000000      2.000000
 -0.041667  0.166667  0.000000      2.000000
  0.166667 -0.041667  0.000000      2.000000
 -0.041667 -0.208333  0.000000      2.000000
 -0.208333 -0.166667  0.000000      2.000000
  0.250000  0.041667  0.000000      2.000000
  0.208333  0.250000  0.000000      2.000000
 -0.041667  0.208333  0.000000      2.000000
  0.208333 -0.041667  0.000000      2.000000
 -0.041667 -0.250000  0.000000      2.000000
 -0.250000 -0.208333  0.000000      2.000000
  0.291667  0.041667  0.000000      2.000000
  0.250000  0.291667  0.000000      2.000000
 -0.041667  0.250000  0.000000      2.000000
  0.250000 -0.041667  0.000000      2.000000
 -0.041667 -0.291667  0.000000      2.000000
 -0.291667 -0.250000  0.000000      2.000000
  0.333333  0.041667  0.000000      2.000000
  0.291667  0.333333  0.000000      2.000000
 -0.041667  0.291667  0.000000      2.000000
  0.291667 -0.041667  0.000000      2.000000
 -0.041667 -0.333333  0.000000      2.000000
 -0.333333 -0.291667  0.000000      2.000000
  0.375000  0.041667  0.000000      2.000000
  0.333333  0.375000  0.000000      2.000000
 -0.041667  0.333333  0.000000      2.000000
  0.333333 -0.041667  0.000000      2.000000
 -0.041667 -0.375000  0.000000      2.000000
 -0.375000 -0.333333  0.000000      2.000000
  0.416667  0.041667  0.000000      2.000000
  0.375000  0.416667  0.000000      2.000000
 -0.041667  0.375000  0.000000      2.000000
  0.375000 -0.041667  0.000000      2.000000
 -0.041667 -0.416667  0.000000      2.000000
 -0.416667 -0.375000  0.000000      2.000000
  0.458333  0.041667  0.000000      2.000000
  0.416667  0.458333  0.000000      2.000000
 -0.041667  0.416667  0.000000      2.000000
  0.416667 -0.041667  0.000000      2.000000
 -0.041667 -0.458333  0.000000      2.000000
 -0.458333 -0.416667  0.000000      2.000000
  0.500000  0.041667  0.000000      2.000000
  0.458333  0.500000  0.000000      2.000000
 -0.041667  0.458333  0.000000      2.000000
  0.458333 -0.041667  0.000000      2.000000
 -0.041667  0.500000  0.000000      2.000000
  0.500000 -0.458333  0.000000      2.000000
  0.166667  0.083333  0.000000      2.000000
  0.083333  0.166667  0.000000      2.000000
 -0.083333  0.083333  0.000000      2.000000
  0.208333  0.083333  0.000000      2.000000
  0.125000  0.208333  0.000000      2.000000
 -0.083333  0.125000  0.000000      2.000000
  0.125000 -0.083333  0.000000      2.000000
 -0.083333 -0.208333  0.000000      2.000000
 -0.208333 -0.125000  0.000000      2.000000
  0.250000  0.083333  0.000000      2.000000
  0.166667  0.250000  0.000000      2.000000
 -0.083333  0.166667  0.000000      2.000000
  0.166667 -0.083333  0.000000      2.000000
 -0.083333 -0.250000  0.000000      2.000000
 -0.250000 -0.166667  0.000000      2.000000
  0.291667  0.083333  0.000000      2.000000
  0.208333  0.291667  0.000000      2.000000
 -0.083333  0.208333  0.000000      2.000000
  0.208333 -0.083333  0.000000      2.000000
 -0.083333 -0.291667  0.000000      2.000000
 -0.291667 -0.208333  0.000000      2.000000
  0.333333  0.083333  0.000000      2.000000
  0.250000  0.333333  0.000000      2.000000
 -0.083333  0.250000  0.000000      2.000000
  0.250000 -0.083333  0.000000      2.000000
 -0.083333 -0.333333  0.000000      2.000000
 -0.333333 -0.250000  0.000000      2.000000
  0.375000  0.083333  0.000000      2.000000
  0.291667  0.375000  0.000000      2.000000
 -0.083333  0.291667  0.000000      2.000000
  0.291667 -0.083333  0.000000      2.000000
 -0.083333 -0.375000  0.000000      2.000000
 -0.375000 -0.291667  0.000000      2.000000
  0.416667  0.083333  0.000000      2.000000
  0.333333  0.416667  0.000000      2.000000
 -0.083333  0.333333  0.000000      2.000000
  0.333333 -0.083333  0.000000      2.000000
 -0.083333 -0.416667  0.000000      2.000000
 -0.416667 -0.333333  0.000000      2.000000
  0.458333  0.083333  0.000000      2.000000
  0.375000  0.458333  0.000000      2.000000
 -0.083333  0.375000  0.000000      2.000000
  0.375000 -0.083333  0.000000      2.000000
 -0.083333 -0.458333  0.000000      2.000000
 -0.458333 -0.375000  0.000000      2.000000
  0.500000  0.083333  0.000000      2.000000
  0.416667  0.500000  0.000000      2.000000
 -0.083333  0.416667  0.000000      2.000000
  0.416667 -0.083333  0.000000      2.000000
 -0.083333  0.500000  0.000000      2.000000
  0.500000 -0.416667  0.000000      2.000000
 -0.458333  0.083333  0.000000      2.000000
  0.458333 -0.458333  0.000000      2.000000
 -0.083333  0.458333  0.000000      2.000000
  0.250000  0.125000  0.000000      2.000000
  0.125000  0.250000  0.000000      2.000000
 -0.125000  0.125000  0.000000      2.000000
  0.291667  0.125000  0.000000      2.000000
  0.166667  0.291667  0.000000      2.000000
 -0.125000  0.166667  0.000000      2.000000
  0.166667 -0.125000  0.000000      2.000000
 -0.125000 -0.291667  0.000000      2.000000
 -0.291667 -0.166667  0.000000      2.000000
  0.333333  0.125000  0.000000      2.000000
  0.208333  0.333333  0.000000      2.000000
 -0.125000  0.208333  0.000000      2.000000
  0.208333 -0.125000  0.000000      2.000000
 -0.125000 -0.333333  0.000000      2.000000
 -0.333333 -0.208333  0.000000      2.000000
  0.375000  0.125000  0.000000      2.000000
  0.250000  0.375000  0.000000      2.000000
 -0.125000  0.250000  0.000000      2.000000
  0.250000 -0.125000  0.000000      2.000000
 -0.125000 -0.375000  0.000000      2.000000
 -0.375000 -0.250000  0.000000      2.000000
  0.416667  0.125000  0.000000      2.000000
  0.291667  0.416667  0.000000      2.000000
 -0.125000  0.291667  0.000000      2.000000
  0.291667 -0.125000  0.000000      2.000000
 -0.125000 -0.416667  0.000000      2.000000
 -0.416667 -0.291667  0.000000      2.000000
  0.458333  0.125000  0.000000      2.000000
  0.333333  0.458333  0.000000      2.000000
 -0.125000  0.333333  0.000000      2.000000
  0.333333 -0.125000  0.000000      2.000000
 -0.125000 -0.458333  0.000000      2.000000
 -0.458333 -0.333333  0.000000      2.000000
  0.500000  0.125000  0.000000      2.000000
  0.375000  0.500000  0.000000      2.000000
 -0.125000  0.375000  0.000000      2.000000
  0.375000 -0.125000  0.000000      2.000000
 -0.125000  0.500000  0.000000      2.000000
  0.500000 -0.375000  0.000000      2.000000
 -0.458333  0.125000  0.000000      2.000000
  0.416667 -0.458333  0.000000      2.000000
 -0.125000  0.416667  0.000000      2.000000
  0.416667 -0.125000  0.000000      2.000000
 -0.125000  0.458333  0.000000      2.000000
  0.458333 -0.416667  0.000000      2.000000
  0.333333  0.166667  0.000000      2.000000
  0.166667  0.333333  0.000000      2.000000
 -0.166667  0.166667  0.000000      2.000000
  0.375000  0.166667  0.000000      2.000000
  0.208333  0.375000  0.000000      2.000000
 -0.166667  0.208333  0.000000      2.000000
  0.208333 -0.166667  0.000000      2.000000
 -0.166667 -0.375000  0.000000      2.000000
 -0.375000 -0.208333  0.000000      2.000000
  0.416667  0.166667  0.000000      2.000000
  0.250000  0.416667  0.000000      2.000000
 -0.166667  0.250000  0.000000      2.000000
  0.250000 -0.166667  0.000000      2.000000
 -0.166667 -0.416667  0.000000      2.000000
 -0.416667 -0.250000  0.000000      2.000000
  0.458333  0.166667  0.000000      2.000000
  0.291667  0.458333  0.000000      2.000000
 -0.166667  0.291667  0.000000      2.000000
  0.291667 -0.166667  0.000000      2.000000
 -0.166667 -0.458333  0.000000      2.000000
 -0.458333 -0.291667  0.000000      2.000000
  0.500000  0.166667  0.000000      2.000000
  0.333333  0.500000  0.000000      2.000000
 -0.166667  0.333333  0.000000      2.000000
  0.333333 -0.166667  0.000000      2.000000
 -0.166667  0.500000  0.000000      2.000000
  0.500000 -0.333333  0.000000      2.000000
 -0.458333  0.166667  0.000000      2.000000
  0.375000 -0.458333  0.000000      2.000000
 -0.166667  0.375000  0.000000      2.000000
  0.375000 -0.166667  0.000000      2.000000
 -0.166667  0.458333  0.000000      2.000000
  0.458333 -0.375000  0.000000      2.000000
 -0.416667  0.166667  0.000000      2.000000
  0.416667 -0.416667  0.000000      2.000000
 -0.166667  0.416667  0.000000      2.000000
  0.416667  0.208333  0.000000      2.000000
  0.208333  0.416667  0.000000      2.000000
 -0.208333  0.208333  0.000000      2.000000
  0.458333  0.208333  0.000000      2.000000
  0.250000  0.458333  0.000000      2.000000
 -0.208333  0.250000  0.000000      2.000000
  0.250000 -0.208333  0.000000      2.000000
 -0.208333 -0.458333  0.000000      2.000000
 -0.458333 -0.250000  0.000000      2.000000
  0.500000  0.208333  0.000000      2.000000
  0.291667  0.500000  0.000000      2.000000
 -0.208333  0.291667  0.000000      2.000000
  0.291667 -0.208333  0.000000      2.000000
 -0.208333  0.500000  0.000000      2.000000
  0.500000 -0.291667  0.000000      2.000000
 -0.458333  0.208333  0.000000      2.000000
  0.333333 -0.458333  0.000000      2.000000
 -0.208333  0.333333  0.000000      2.000000
  0.333333 -0.208333  0.000000      2.000000
 -0.208333  0.458333  0.000000      2.000000
  0.458333 -0.333333  0.000000      2.000000
 -0.416667  0.208333  0.000000      2.000000
  0.375000 -0.416667  0.000000      2.000000
 -0.208333  0.375000  0.000000      2.000000
  0.375000 -0.208333  0.000000      2.000000
 -0.208333  0.416667  0.000000      2.000000
  0.416667 -0.375000  0.000000      2.000000
  0.500000  0.250000  0.000000      2.000000
  0.250000  0.500000  0.000000      2.000000
 -0.250000  0.250000  0.000000      2.000000
 -0.458333  0.250000  0.000000      2.000000
  0.291667 -0.458333  0.000000      2.000000
 -0.250000  0.291667  0.000000      2.000000
  0.291667 -0.250000  0.000000      2.000000
 -0.250000  0.458333  0.000000      2.000000
  0.458333 -0.291667  0.000000      2.000000
 -0.416667  0.250000  0.000000      2.000000
  0.333333 -0.416667  0.000000      2.000000
 -0.250000  0.333333  0.000000      2.000000
  0.333333 -0.250000  0.000000      2.000000
 -0.250000  0.416667  0.000000      2.000000
  0.416667 -0.333333  0.000000      2.000000
 -0.375000  0.250000  0.000000      2.000000
  0.375000 -0.375000  0.000000      2.000000
 -0.250000  0.375000  0.000000      2.000000
 -0.416667  0.291667  0.000000      2.000000
  0.291667 -0.416667  0.000000      2.000000
 -0.291667  0.291667  0.000000      2.000000
 -0.375000  0.291667  0.000000      2.000000
  0.333333 -0.375000  0.000000      2.000000
 -0.291667  0.333333  0.000000      2.000000
  0.333333 -0.291667  0.000000      2.000000
 -0.291667  0.375000  0.000000      2.000000
  0.375000 -0.333333  0.000000      2.000000
 -0.333333  0.333333  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.014582 -0.008419  0.000000      2.000000
  0.014582  0.008419  0.000000      2.000000
  0.000000  0.016838  0.000000      2.000000
  0.029163 -0.016838  0.000000      2.000000
  0.029163  0.016838  0.000000      2.000000
  0.000000  0.033675  0.000000      2.000000
  0.043745 -0.025256  0.000000      2.000000
  0.043745  0.025256  0.000000      2.000000
  0.000000  0.050513  0.000000      2.000000
  0.058327 -0.033675  0.000000      2.000000
  0.058327  0.033675  0.000000      2.000000
  0.000000  0.067350  0.000000      2.000000
  0.072909 -0.042094  0.000000      2.000000
  0.072909  0.042094  0.000000      2.000000
  0.000000  0.084188  0.000000      2.000000
  0.087490 -0.050513  0.000000      2.000000
  0.087490  0.050513  0.000000      2.000000
  0.000000  0.101025  0.000000      2.000000
  0.102072 -0.058931  0.000000      2.000000
  0.102072  0.058931  0.000000      2.000000
  0.000000  0.117863  0.000000      2.000000
  0.116654 -0.067350  0.000000      2.000000
  0.116654  0.067350  0.000000      2.000000
  0.000000  0.134700  0.000000      2.000000
  0.131235 -0.075769  0.000000      2.000000
  0.131235  0.075769  0.000000      2.000000
  0.000000  0.151538  0.000000      2.000000
  0.145817 -0.084188  0.000000      2.000000
  0.145817  0.084188  0.000000      2.000000
  0.000000  0.168375  0.000000      2.000000
  0.160399 -0.092606  0.000000      2.000000
  0.160399  0.092606  0.000000      2.000000
  0.000000  0.185213  0.000000      2.000000
  0.174981 -0.101025  0.000000      1.000000
  0.174981  0.101025  0.000000      1.000000
  0.000000  0.202050  0.000000      1.000000
  0.029163 -0.000000  0.000000      2.000000
  0.014582  0.025256  0.000000      2.000000
 -0.014582  0.025256  0.000000      2.000000
  0.043745 -0.008419  0.000000      2.000000
  0.029163  0.033675  0.000000      2.000000
 -0.014582  0.042094  0.000000      2.000000
  0.029163 -0.033675  0.000000      2.000000
 -0.014582 -0.042094  0.000000      2.000000
 -0.043745 -0.008419  0.000000      2.000000
  0.058327 -0.016838  0.000000      2.000000
  0.043745  0.042094  0.000000      2.000000
 -0.014582  0.058931  0.000000      2.000000
  0.043745 -0.042094  0.000000      2.000000
 -0.014582 -0.058931  0.000000      2.000000
 -0.058327 -0.016838  0.000000      2.000000
  0.072909 -0.025256  0.000000      2.000000
  0.058327  0.050513  0.000000      2.000000
 -0.014582  0.075769  0.000000      2.000000
  0.058327 -0.050513  0.000000      2.000000
 -0.014582 -0.075769  0.000000      2.000000
 -0.072909 -0.025256  0.000000      2.000000
  0.087490 -0.033675  0.000000      2.000000
  0.072909  0.058931  0.000000      2.000000
 -0.014582  0.092606  0.000000      2.000000
  0.072909 -0.058931  0.000000      2.000000
 -0.014582 -0.092606  0.000000      2.000000
 -0.087490 -0.033675  0.000000      2.000000
  0.102072 -0.042094  0.000000      2.000000
  0.087490  0.067350  0.000000      2.000000
 -0.014582  0.109444  0.000000      2.000000
  0.087490 -0.067350  0.000000      2.000000
 -0.014582 -0.109444  0.000000      2.000000
 -0.102072 -0.042094  0.000000      2.000000
  0.116654 -0.050513  0.000000      2.000000
  0.102072  0.075769  0.000000      2.000000
 -0.014582  0.126281  0.000000      2.000000
  0.102072 -0.075769  0.000000      2.000000
 -0.014582 -0.126281  0.000000      2.000000
 -0.116654 -0.050513  0.000000      2.000000
  0.131235 -0.058931  0.000000      2.000000
  0.116654  0.084188  0.000000      2.000000
 -0.014582  0.143119  0.000000      2.000000
  0.116654 -0.084188  0.000000      2.000000
 -0.014582 -0.143119  0.000000      2.000000
 -0.131235 -0.058931  0.000000      2.000000
  0.145817 -0.067350  0.000000      2.000000
  0.131235  0.092606  0.000000      2.000000
 -0.014582  0.159956  0.000000      2.000000
  0.131235 -0.092606  0.000000      2.000000
 -0.014582 -0.159956  0.000000      2.000000
 -0.145817 -0.067350  0.000000      2.000000
  0.160399 -0.075769  0.000000      2.000000
  0.145817  0.101025  0.000000      2.000000
 -0.014582  0.176794  0.000000      2.000000
  0.145817 -0.101025  0.000000      2.000000
 -0.014582 -0.176794  0.000000      2.000000
 -0.160399 -0.075769  0.000000      2.000000
  0.174981 -0.084188  0.000000      2.000000
  0.160399  0.109444  0.000000      2.000000
 -0.014582  0.193631  0.000000      2.000000
  0.160399 -0.109444  0.000000      2.000000
 -0.014582  0.210469  0.000000      2.000000
  0.174981 -0.286238  0.000000      2.000000
  0.058327  0.000000  0.000000      2.000000
  0.029163  0.050513  0.000000      2.000000
 -0.029163  0.050513  0.000000      2.000000
  0.072909 -0.008419  0.000000      2.000000
  0.043745  0.058931  0.000000      2.000000
 -0.029163  0.067350  0.000000      2.000000
  0.043745 -0.058931  0.000000      2.000000
 -0.029163 -0.067350  0.000000      2.000000
 -0.072909 -0.008419  0.000000      2.000000
  0.087490 -0.016838  0.000000      2.000000
  0.058327  0.067350  0.000000      2.000000
 -0.029163  0.084188  0.000000      2.000000
  0.058327 -0.067350  0.000000      2.000000
 -0.029163 -0.084188  0.000000      2.000000
 -0.087490 -0.016838  0.000000      2.000000
  0.102072 -0.025256  0.000000      2.000000
  0.072909  0.075769  0.000000      2.000000
 -0.029163  0.101025  0.000000      2.000000
  0.072909 -0.075769  0.000000      2.000000
 -0.029163 -0.101025  0.000000      2.000000
 -0.102072 -0.025256  0.000000      2.000000
  0.116654 -0.033675  0.000000      2.000000
  0.087490  0.084188  0.000000      2.000000
 -0.029163  0.117863  0.000000      2.000000
  0.087490 -0.084188  0.000000      2.000000
 -0.029163 -0.117863  0.000000      2.000000
 -0.116654 -0.033675  0.000000      2.000000
  0.131235 -0.042094  0.000000      2.000000
  0.102072  0.092606  0.000000      2.000000
 -0.029163  0.134700  0.000000      2.000000
  0.102072 -0.092606  0.000000      2.000000
 -0.029163 -0.134700  0.000000      2.000000
 -0.131235 -0.042094  0.000000      2.000000
  0.145817 -0.050513  0.000000      2.000000
  0.116654  0.101025  0.000000      2.000000
 -0.029163  0.151538  0.000000      2.000000
  0.116654 -0.101025  0.000000      2.000000
 -0.029163 -0.151538  0.000000      2.000000
 -0.145817 -0.050513  0.000000      2.000000
  0.160399 -0.058931  0.000000      2.000000
  0.131235  0.109444  0.000000      2.000000
 -0.029163  0.168375  0.000000      2.000000
  0.131235 -0.109444  0.000000      2.000000
 -0.029163 -0.168375  0.000000      2.000000
 -0.160399 -0.058931  0.000000      2.000000
  0.174981 -0.067350  0.000000      2.000000
  0.145817  0.117863  0.000000      2.000000
 -0.029163  0.185213  0.000000      2.000000
  0.145817 -0.117863  0.000000      2.000000
 -0.029163  0.218888  0.000000      2.000000
  0.174981 -0.269400  0.000000      2.000000
 -0.160399  0.126281  0.000000      2.000000
  0.160399 -0.277819  0.000000      2.000000
 -0.029163  0.202050  0.000000      2.000000
  0.087490  0.000000  0.000000      2.000000
  0.043745  0.075769  0.000000      2.000000
 -0.043745  0.075769  0.000000      2.000000
  0.102072 -0.008419  0.000000      2.000000
  0.058327  0.084188  0.000000      2.000000
 -0.043745  0.092606  0.000000      2.000000
  0.058327 -0.084188  0.000000      2.000000
 -0.043745 -0.092606  0.000000      2.000000
 -0.102072 -0.008419  0.000000      2.000000
  0.116654 -0.016838  0.000000      2.000000
  0.072909  0.092606  0.000000      2.000000
 -0.043745  0.109444  0.000000      2.000000
  0.072909 -0.092606  0.000000      2.000000
 -0.043745 -0.109444  0.000000      2.000000
 -0.116654 -0.016838  0.000000      2.000000
  0.131235 -0.025256  0.000000      2.000000
  0.087490  0.101025  0.000000      2.000000
 -0.043745  0.126281  0.000000      2.000000
  0.087490 -0.101025  0.000000      2.000000
 -0.043745 -0.126281  0.000000      2.000000
 -0.131235 -0.025256  0.000000      2.000000
  0.145817 -0.033675  0.000000      2.000000
  0.102072  0.109444  0.000000      2.000000
 -0.043745  0.143119  0.000000      2.000000
  0.102072 -0.109444  0.000000      2.000000
 -0.043745 -0.143119  0.000000      2.000000
 -0.145817 -0.033675  0.000000      2.000000
  0.160399 -0.042094  0.000000      2.000000
  0.116654  0.117863  0.000000      2.000000
 -0.043745  0.159956  0.000000      2.000000
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 -0.043745 -0.159956  0.000000      2.000000
 -0.160399 -0.042094  0.000000      2.000000
  0.174981 -0.050513  0.000000      2.000000
  0.131235  0.126281  0.000000      2.000000
 -0.043745  0.176794  0.000000      2.000000
  0.131235 -0.126281  0.000000      2.000000
 -0.043745  0.227306  0.000000      2.000000
  0.174981 -0.252563  0.000000      2.000000
 -0.160399  0.143119  0.000000      2.000000
  0.145817 -0.269400  0.000000      2.000000
 -0.043745  0.193631  0.000000      2.000000
  0.145817 -0.134700  0.000000      2.000000
 -0.043745  0.210469  0.000000      2.000000
  0.160399 -0.260981  0.000000      2.000000
  0.116654 -0.000000  0.000000      2.000000
  0.058327  0.101025  0.000000      2.000000
 -0.058327  0.101025  0.000000      2.000000
  0.131235 -0.008419  0.000000      2.000000
  0.072909  0.109444  0.000000      2.000000
 -0.058327  0.117863  0.000000      2.000000
  0.072909 -0.109444  0.000000      2.000000
 -0.058327 -0.117863  0.000000      2.000000
 -0.131235 -0.008419  0.000000      2.000000
  0.145817 -0.016838  0.000000      2.000000
  0.087490  0.117863  0.000000      2.000000
 -0.058327  0.134700  0.000000      2.000000
  0.087490 -0.117863  0.000000      2.000000
 -0.058327 -0.134700  0.000000      2.000000
 -0.145817 -0.016838  0.000000      2.000000
  0.160399 -0.025256  0.000000      2.000000
  0.102072  0.126281  0.000000      2.000000
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 -0.058327 -0.151538  0.000000      2.000000
 -0.160399 -0.025256  0.000000      2.000000
  0.174981 -0.033675  0.000000      2.000000
  0.116654  0.134700  0.000000      2.000000
 -0.058327  0.168375  0.000000      2.000000
  0.116654 -0.134700  0.000000      2.000000
 -0.058327  0.235725  0.000000      2.000000
  0.174981 -0.235725  0.000000      2.000000
 -0.160399  0.159956  0.000000      2.000000
  0.131235 -0.260981  0.000000      2.000000
 -0.058327  0.185213  0.000000      2.000000
  0.131235 -0.143119  0.000000      2.000000
 -0.058327  0.218888  0.000000      2.000000
  0.160399 -0.244144  0.000000      2.000000
 -0.145817  0.151538  0.000000      2.000000
  0.145817 -0.252563  0.000000      2.000000
 -0.058327  0.202050  0.000000      2.000000
  0.145817  0.000000  0.000000      2.000000
  0.072909  0.126281  0.000000      2.000000
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  0.160399 -0.008419  0.000000      2.000000
  0.087490  0.134700  0.000000      2.000000
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  0.087490 -0.134700  0.000000      2.000000
 -0.072909 -0.143119  0.000000      2.000000
 -0.160399 -0.008419  0.000000      2.000000
  0.174981 -0.016838  0.000000      2.000000
  0.102072  0.143119  0.000000      2.000000
 -0.072909  0.159956  0.000000      2.000000
  0.102072 -0.143119  0.000000      2.000000
 -0.072909  0.244144  0.000000      2.000000
  0.174981 -0.218888  0.000000      2.000000
 -0.160399  0.176794  0.000000      2.000000
  0.116654 -0.252563  0.000000      2.000000
 -0.072909  0.176794  0.000000      2.000000
  0.116654 -0.151538  0.000000      2.000000
 -0.072909  0.227306  0.000000      2.000000
  0.160399 -0.227306  0.000000      2.000000
 -0.145817  0.168375  0.000000      2.000000
  0.131235 -0.244144  0.000000      2.000000
 -0.072909  0.193631  0.000000      2.000000
  0.131235 -0.159956  0.000000      2.000000
 -0.072909  0.210469  0.000000      2.000000
  0.145817 -0.235725  0.000000      2.000000
  0.174981  0.000000  0.000000      2.000000
  0.087490  0.151538  0.000000      2.000000
 -0.087490  0.151538  0.000000      2.000000
 -0.160399  0.193631  0.000000      2.000000
  0.102072 -0.244144  0.000000      2.000000
 -0.087490  0.168375  0.000000      2.000000
  0.102072 -0.159956  0.000000      2.000000
 -0.087490  0.235725  0.000000      2.000000
  0.160399 -0.210469  0.000000      2.000000
 -0.145817  0.185213  0.000000      2.000000
  0.116654 -0.235725  0.000000      2.000000
 -0.087490  0.185213  0.000000      2.000000
  0.116654 -0.168375  0.000000      2.000000
 -0.087490  0.218888  0.000000      2.000000
  0.145817 -0.218888  0.000000      2.000000
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  0.131235 -0.227306  0.000000      2.000000
 -0.087490  0.202050  0.000000      2.000000
 -0.145817  0.202050  0.000000      2.000000
  0.102072 -0.227306  0.000000      2.000000
 -0.102072  0.176794  0.000000      2.000000
 -0.131235  0.193631  0.000000      2.000000
  0.116654 -0.218888  0.000000      2.000000
 -0.102072  0.193631  0.000000      2.000000
  0.116654 -0.185213  0.000000      2.000000
 -0.102072  0.210469  0.000000      2.000000
  0.131235 -0.210469  0.000000      2.000000
 -0.116654  0.202050  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    576 k-points in 1st BZ
 the following    576 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00173611   1 t-inv F
  0.041667 -0.000000  0.000000    0.00173611   2 t-inv F
  0.041667  0.041667  0.000000    0.00173611   3 t-inv F
  0.000000  0.041667  0.000000    0.00173611   4 t-inv F
  0.083333  0.000000  0.000000    0.00173611   5 t-inv F
  0.083333  0.083333  0.000000    0.00173611   6 t-inv F
  0.000000  0.083333  0.000000    0.00173611   7 t-inv F
  0.125000  0.000000  0.000000    0.00173611   8 t-inv F
  0.125000  0.125000  0.000000    0.00173611   9 t-inv F
  0.000000  0.125000  0.000000    0.00173611  10 t-inv F
  0.166667 -0.000000  0.000000    0.00173611  11 t-inv F
  0.166667  0.166667  0.000000    0.00173611  12 t-inv F
  0.000000  0.166667  0.000000    0.00173611  13 t-inv F
  0.208333  0.000000  0.000000    0.00173611  14 t-inv F
  0.208333  0.208333  0.000000    0.00173611  15 t-inv F
  0.000000  0.208333  0.000000    0.00173611  16 t-inv F
  0.250000  0.000000  0.000000    0.00173611  17 t-inv F
  0.250000  0.250000  0.000000    0.00173611  18 t-inv F
  0.000000  0.250000  0.000000    0.00173611  19 t-inv F
  0.291667  0.000000  0.000000    0.00173611  20 t-inv F
  0.291667  0.291667  0.000000    0.00173611  21 t-inv F
  0.000000  0.291667  0.000000    0.00173611  22 t-inv F
  0.333333  0.000000  0.000000    0.00173611  23 t-inv F
  0.333333  0.333333  0.000000    0.00173611  24 t-inv F
  0.000000  0.333333  0.000000    0.00173611  25 t-inv F
  0.375000  0.000000  0.000000    0.00173611  26 t-inv F
  0.375000  0.375000  0.000000    0.00173611  27 t-inv F
  0.000000  0.375000  0.000000    0.00173611  28 t-inv F
  0.416667  0.000000  0.000000    0.00173611  29 t-inv F
  0.416667  0.416667  0.000000    0.00173611  30 t-inv F
  0.000000  0.416667  0.000000    0.00173611  31 t-inv F
  0.458333  0.000000  0.000000    0.00173611  32 t-inv F
  0.458333  0.458333  0.000000    0.00173611  33 t-inv F
  0.000000  0.458333  0.000000    0.00173611  34 t-inv F
  0.500000  0.000000  0.000000    0.00173611  35 t-inv F
  0.500000  0.500000  0.000000    0.00173611  36 t-inv F
  0.000000  0.500000  0.000000    0.00173611  37 t-inv F
  0.083333  0.041667  0.000000    0.00173611  38 t-inv F
  0.041667  0.083333  0.000000    0.00173611  39 t-inv F
 -0.041667  0.041667  0.000000    0.00173611  40 t-inv F
  0.125000  0.041667  0.000000    0.00173611  41 t-inv F
  0.083333  0.125000  0.000000    0.00173611  42 t-inv F
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    290   k-points in BZ     NKDIM =    576   number of bands    NBANDS=     12
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  57600
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX= 115473
   dimension x,y,z NGX =    20 NGY =   20 NGZ =  144
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=  288
   support grid    NGXF=    80 NGYF=   80 NGZF=  576
   ions per type =               4
   NGX,Y,Z   is equivalent  to a cutoff of  11.64, 11.64, 10.88 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  23.27, 23.27, 21.76 a.u.

 SYSTEM =  Al Lattice Relaxation  HSE06-1/2x vdW-DF
 POSCAR =  Al                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   4.66  4.66 35.88*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = -.5E-02   stopping-criterion for IOM
   NSW    =      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=  -0.187E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      12.0000    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 =  0.21E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      38.89       262.44
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.696897  1.316944  6.607878  0.485665
  Thomas-Fermi vector in A             =   1.780074
 
 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 :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.01458172 -0.00841876  0.00000000       0.003
   0.01458172  0.00841876  0.00000000       0.003
   0.00000000  0.01683752  0.00000000       0.003
   0.02916343 -0.01683752  0.00000000       0.003
   0.02916343  0.01683752  0.00000000       0.003
   0.00000000  0.03367503  0.00000000       0.003
   0.04374515 -0.02525627  0.00000000       0.003
   0.04374515  0.02525627  0.00000000       0.003
   0.00000000  0.05051255  0.00000000       0.003
   0.05832686 -0.03367503  0.00000000       0.003
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   0.00000000  0.06735006  0.00000000       0.003
   0.07290858 -0.04209379  0.00000000       0.003
   0.07290858  0.04209379  0.00000000       0.003
   0.00000000  0.08418758  0.00000000       0.003
   0.08749030 -0.05051255  0.00000000       0.003
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   0.00000000  0.10102509  0.00000000       0.003
   0.10207201 -0.05893130  0.00000000       0.003
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   0.00000000  0.11786261  0.00000000       0.003
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   0.00000000  0.13470012  0.00000000       0.003
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   0.02916343  0.03367503  0.00000000       0.003
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   0.11665373 -0.25256273  0.00000000       0.003
  -0.07290858  0.17679391  0.00000000       0.003
   0.11665373 -0.15153764  0.00000000       0.003
  -0.07290858  0.22730646  0.00000000       0.003
   0.16039888 -0.22730646  0.00000000       0.003
  -0.14581716  0.16837515  0.00000000       0.003
   0.13123544 -0.24414397  0.00000000       0.003
  -0.07290858  0.19363143  0.00000000       0.003
   0.13123544 -0.15995639  0.00000000       0.003
  -0.07290858  0.21046894  0.00000000       0.003
   0.14581716 -0.23572521  0.00000000       0.003
   0.17498059  0.00000000  0.00000000       0.003
   0.08749030  0.15153764  0.00000000       0.003
  -0.08749030  0.15153764  0.00000000       0.003
  -0.16039888  0.19363143  0.00000000       0.003
   0.10207201 -0.24414397  0.00000000       0.003
  -0.08749030  0.16837515  0.00000000       0.003
   0.10207201 -0.15995639  0.00000000       0.003
  -0.08749030  0.23572521  0.00000000       0.003
   0.16039888 -0.21046894  0.00000000       0.003
  -0.14581716  0.18521267  0.00000000       0.003
   0.11665373 -0.23572521  0.00000000       0.003
  -0.08749030  0.18521267  0.00000000       0.003
   0.11665373 -0.16837515  0.00000000       0.003
  -0.08749030  0.21888770  0.00000000       0.003
   0.14581716 -0.21888770  0.00000000       0.003
  -0.13123544  0.17679391  0.00000000       0.003
   0.13123544 -0.22730646  0.00000000       0.003
  -0.08749030  0.20205018  0.00000000       0.003
  -0.14581716  0.20205018  0.00000000       0.003
   0.10207201 -0.22730646  0.00000000       0.003
  -0.10207201  0.17679391  0.00000000       0.003
  -0.13123544  0.19363143  0.00000000       0.003
   0.11665373 -0.21888770  0.00000000       0.003
  -0.10207201  0.19363143  0.00000000       0.003
   0.11665373 -0.18521267  0.00000000       0.003
  -0.10207201  0.21046894  0.00000000       0.003
   0.13123544 -0.21046894  0.00000000       0.003
  -0.11665373  0.20205018  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.002
   0.04166667 -0.00000000  0.00000000       0.003
   0.04166667  0.04166667  0.00000000       0.003
   0.00000000  0.04166667  0.00000000       0.003
   0.08333333  0.00000000  0.00000000       0.003
   0.08333333  0.08333333  0.00000000       0.003
   0.00000000  0.08333333  0.00000000       0.003
   0.12500000  0.00000000  0.00000000       0.003
   0.12500000  0.12500000  0.00000000       0.003
   0.00000000  0.12500000  0.00000000       0.003
   0.16666667 -0.00000000  0.00000000       0.003
   0.16666667  0.16666667  0.00000000       0.003
   0.00000000  0.16666667  0.00000000       0.003
   0.20833333  0.00000000  0.00000000       0.003
   0.20833333  0.20833333  0.00000000       0.003
   0.00000000  0.20833333  0.00000000       0.003
   0.25000000  0.00000000  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.003
   0.00000000  0.25000000  0.00000000       0.003
   0.29166667  0.00000000  0.00000000       0.003
   0.29166667  0.29166667  0.00000000       0.003
   0.00000000  0.29166667  0.00000000       0.003
   0.33333333  0.00000000  0.00000000       0.003
   0.33333333  0.33333333  0.00000000       0.003
   0.00000000  0.33333333  0.00000000       0.003
   0.37500000  0.00000000  0.00000000       0.003
   0.37500000  0.37500000  0.00000000       0.003
   0.00000000  0.37500000  0.00000000       0.003
   0.41666667  0.00000000  0.00000000       0.003
   0.41666667  0.41666667  0.00000000       0.003
   0.00000000  0.41666667  0.00000000       0.003
   0.45833333  0.00000000  0.00000000       0.003
   0.45833333  0.45833333  0.00000000       0.003
   0.00000000  0.45833333  0.00000000       0.003
   0.50000000  0.00000000  0.00000000       0.002
   0.50000000  0.50000000  0.00000000       0.002
   0.00000000  0.50000000  0.00000000       0.002
   0.08333333  0.04166667  0.00000000       0.003
   0.04166667  0.08333333  0.00000000       0.003
  -0.04166667  0.04166667  0.00000000       0.003
   0.12500000  0.04166667  0.00000000       0.003
   0.08333333  0.12500000  0.00000000       0.003
  -0.04166667  0.08333333  0.00000000       0.003
   0.08333333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.08333333  0.00000000       0.003
   0.16666667  0.04166667  0.00000000       0.003
   0.12500000  0.16666667  0.00000000       0.003
  -0.04166667  0.12500000  0.00000000       0.003
   0.12500000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.16666667  0.00000000       0.003
  -0.16666667 -0.12500000  0.00000000       0.003
   0.20833333  0.04166667  0.00000000       0.003
   0.16666667  0.20833333  0.00000000       0.003
  -0.04166667  0.16666667  0.00000000       0.003
   0.16666667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.20833333  0.00000000       0.003
  -0.20833333 -0.16666667  0.00000000       0.003
   0.25000000  0.04166667  0.00000000       0.003
   0.20833333  0.25000000  0.00000000       0.003
  -0.04166667  0.20833333  0.00000000       0.003
   0.20833333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.25000000  0.00000000       0.003
  -0.25000000 -0.20833333  0.00000000       0.003
   0.29166667  0.04166667  0.00000000       0.003
   0.25000000  0.29166667  0.00000000       0.003
  -0.04166667  0.25000000  0.00000000       0.003
   0.25000000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.29166667  0.00000000       0.003
  -0.29166667 -0.25000000  0.00000000       0.003
   0.33333333  0.04166667  0.00000000       0.003
   0.29166667  0.33333333  0.00000000       0.003
  -0.04166667  0.29166667  0.00000000       0.003
   0.29166667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.33333333  0.00000000       0.003
  -0.33333333 -0.29166667  0.00000000       0.003
   0.37500000  0.04166667  0.00000000       0.003
   0.33333333  0.37500000  0.00000000       0.003
  -0.04166667  0.33333333  0.00000000       0.003
   0.33333333 -0.04166667  0.00000000       0.003
  -0.04166667 -0.37500000  0.00000000       0.003
  -0.37500000 -0.33333333  0.00000000       0.003
   0.41666667  0.04166667  0.00000000       0.003
   0.37500000  0.41666667  0.00000000       0.003
  -0.04166667  0.37500000  0.00000000       0.003
   0.37500000 -0.04166667  0.00000000       0.003
  -0.04166667 -0.41666667  0.00000000       0.003
  -0.41666667 -0.37500000  0.00000000       0.003
   0.45833333  0.04166667  0.00000000       0.003
   0.41666667  0.45833333  0.00000000       0.003
  -0.04166667  0.41666667  0.00000000       0.003
   0.41666667 -0.04166667  0.00000000       0.003
  -0.04166667 -0.45833333  0.00000000       0.003
  -0.45833333 -0.41666667  0.00000000       0.003
   0.50000000  0.04166667  0.00000000       0.003
   0.45833333  0.50000000  0.00000000       0.003
  -0.04166667  0.45833333  0.00000000       0.003
   0.45833333 -0.04166667  0.00000000       0.003
  -0.04166667  0.50000000  0.00000000       0.003
   0.50000000 -0.45833333  0.00000000       0.003
   0.16666667  0.08333333  0.00000000       0.003
   0.08333333  0.16666667  0.00000000       0.003
  -0.08333333  0.08333333  0.00000000       0.003
   0.20833333  0.08333333  0.00000000       0.003
   0.12500000  0.20833333  0.00000000       0.003
  -0.08333333  0.12500000  0.00000000       0.003
   0.12500000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.20833333  0.00000000       0.003
  -0.20833333 -0.12500000  0.00000000       0.003
   0.25000000  0.08333333  0.00000000       0.003
   0.16666667  0.25000000  0.00000000       0.003
  -0.08333333  0.16666667  0.00000000       0.003
   0.16666667 -0.08333333  0.00000000       0.003
  -0.08333333 -0.25000000  0.00000000       0.003
  -0.25000000 -0.16666667  0.00000000       0.003
   0.29166667  0.08333333  0.00000000       0.003
   0.20833333  0.29166667  0.00000000       0.003
  -0.08333333  0.20833333  0.00000000       0.003
   0.20833333 -0.08333333  0.00000000       0.003
  -0.08333333 -0.29166667  0.00000000       0.003
  -0.29166667 -0.20833333  0.00000000       0.003
   0.33333333  0.08333333  0.00000000       0.003
   0.25000000  0.33333333  0.00000000       0.003
  -0.08333333  0.25000000  0.00000000       0.003
   0.25000000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.33333333  0.00000000       0.003
  -0.33333333 -0.25000000  0.00000000       0.003
   0.37500000  0.08333333  0.00000000       0.003
   0.29166667  0.37500000  0.00000000       0.003
  -0.08333333  0.29166667  0.00000000       0.003
   0.29166667 -0.08333333  0.00000000       0.003
  -0.08333333 -0.37500000  0.00000000       0.003
  -0.37500000 -0.29166667  0.00000000       0.003
   0.41666667  0.08333333  0.00000000       0.003
   0.33333333  0.41666667  0.00000000       0.003
  -0.08333333  0.33333333  0.00000000       0.003
   0.33333333 -0.08333333  0.00000000       0.003
  -0.08333333 -0.41666667  0.00000000       0.003
  -0.41666667 -0.33333333  0.00000000       0.003
   0.45833333  0.08333333  0.00000000       0.003
   0.37500000  0.45833333  0.00000000       0.003
  -0.08333333  0.37500000  0.00000000       0.003
   0.37500000 -0.08333333  0.00000000       0.003
  -0.08333333 -0.45833333  0.00000000       0.003
  -0.45833333 -0.37500000  0.00000000       0.003
   0.50000000  0.08333333  0.00000000       0.003
   0.41666667  0.50000000  0.00000000       0.003
  -0.08333333  0.41666667  0.00000000       0.003
   0.41666667 -0.08333333  0.00000000       0.003
  -0.08333333  0.50000000  0.00000000       0.003
   0.50000000 -0.41666667  0.00000000       0.003
  -0.45833333  0.08333333  0.00000000       0.003
   0.45833333 -0.45833333  0.00000000       0.003
  -0.08333333  0.45833333  0.00000000       0.003
   0.25000000  0.12500000  0.00000000       0.003
   0.12500000  0.25000000  0.00000000       0.003
  -0.12500000  0.12500000  0.00000000       0.003
   0.29166667  0.12500000  0.00000000       0.003
   0.16666667  0.29166667  0.00000000       0.003
  -0.12500000  0.16666667  0.00000000       0.003
   0.16666667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.29166667  0.00000000       0.003
  -0.29166667 -0.16666667  0.00000000       0.003
   0.33333333  0.12500000  0.00000000       0.003
   0.20833333  0.33333333  0.00000000       0.003
  -0.12500000  0.20833333  0.00000000       0.003
   0.20833333 -0.12500000  0.00000000       0.003
  -0.12500000 -0.33333333  0.00000000       0.003
  -0.33333333 -0.20833333  0.00000000       0.003
   0.37500000  0.12500000  0.00000000       0.003
   0.25000000  0.37500000  0.00000000       0.003
  -0.12500000  0.25000000  0.00000000       0.003
   0.25000000 -0.12500000  0.00000000       0.003
  -0.12500000 -0.37500000  0.00000000       0.003
  -0.37500000 -0.25000000  0.00000000       0.003
   0.41666667  0.12500000  0.00000000       0.003
   0.29166667  0.41666667  0.00000000       0.003
  -0.12500000  0.29166667  0.00000000       0.003
   0.29166667 -0.12500000  0.00000000       0.003
  -0.12500000 -0.41666667  0.00000000       0.003
  -0.41666667 -0.29166667  0.00000000       0.003
   0.45833333  0.12500000  0.00000000       0.003
   0.33333333  0.45833333  0.00000000       0.003
  -0.12500000  0.33333333  0.00000000       0.003
   0.33333333 -0.12500000  0.00000000       0.003
  -0.12500000 -0.45833333  0.00000000       0.003
  -0.45833333 -0.33333333  0.00000000       0.003
   0.50000000  0.12500000  0.00000000       0.003
   0.37500000  0.50000000  0.00000000       0.003
  -0.12500000  0.37500000  0.00000000       0.003
   0.37500000 -0.12500000  0.00000000       0.003
  -0.12500000  0.50000000  0.00000000       0.003
   0.50000000 -0.37500000  0.00000000       0.003
  -0.45833333  0.12500000  0.00000000       0.003
   0.41666667 -0.45833333  0.00000000       0.003
  -0.12500000  0.41666667  0.00000000       0.003
   0.41666667 -0.12500000  0.00000000       0.003
  -0.12500000  0.45833333  0.00000000       0.003
   0.45833333 -0.41666667  0.00000000       0.003
   0.33333333  0.16666667  0.00000000       0.003
   0.16666667  0.33333333  0.00000000       0.003
  -0.16666667  0.16666667  0.00000000       0.003
   0.37500000  0.16666667  0.00000000       0.003
   0.20833333  0.37500000  0.00000000       0.003
  -0.16666667  0.20833333  0.00000000       0.003
   0.20833333 -0.16666667  0.00000000       0.003
  -0.16666667 -0.37500000  0.00000000       0.003
  -0.37500000 -0.20833333  0.00000000       0.003
   0.41666667  0.16666667  0.00000000       0.003
   0.25000000  0.41666667  0.00000000       0.003
  -0.16666667  0.25000000  0.00000000       0.003
   0.25000000 -0.16666667  0.00000000       0.003
  -0.16666667 -0.41666667  0.00000000       0.003
  -0.41666667 -0.25000000  0.00000000       0.003
   0.45833333  0.16666667  0.00000000       0.003
   0.29166667  0.45833333  0.00000000       0.003
  -0.16666667  0.29166667  0.00000000       0.003
   0.29166667 -0.16666667  0.00000000       0.003
  -0.16666667 -0.45833333  0.00000000       0.003
  -0.45833333 -0.29166667  0.00000000       0.003
   0.50000000  0.16666667  0.00000000       0.003
   0.33333333  0.50000000  0.00000000       0.003
  -0.16666667  0.33333333  0.00000000       0.003
   0.33333333 -0.16666667  0.00000000       0.003
  -0.16666667  0.50000000  0.00000000       0.003
   0.50000000 -0.33333333  0.00000000       0.003
  -0.45833333  0.16666667  0.00000000       0.003
   0.37500000 -0.45833333  0.00000000       0.003
  -0.16666667  0.37500000  0.00000000       0.003
   0.37500000 -0.16666667  0.00000000       0.003
  -0.16666667  0.45833333  0.00000000       0.003
   0.45833333 -0.37500000  0.00000000       0.003
  -0.41666667  0.16666667  0.00000000       0.003
   0.41666667 -0.41666667  0.00000000       0.003
  -0.16666667  0.41666667  0.00000000       0.003
   0.41666667  0.20833333  0.00000000       0.003
   0.20833333  0.41666667  0.00000000       0.003
  -0.20833333  0.20833333  0.00000000       0.003
   0.45833333  0.20833333  0.00000000       0.003
   0.25000000  0.45833333  0.00000000       0.003
  -0.20833333  0.25000000  0.00000000       0.003
   0.25000000 -0.20833333  0.00000000       0.003
  -0.20833333 -0.45833333  0.00000000       0.003
  -0.45833333 -0.25000000  0.00000000       0.003
   0.50000000  0.20833333  0.00000000       0.003
   0.29166667  0.50000000  0.00000000       0.003
  -0.20833333  0.29166667  0.00000000       0.003
   0.29166667 -0.20833333  0.00000000       0.003
  -0.20833333  0.50000000  0.00000000       0.003
   0.50000000 -0.29166667  0.00000000       0.003
  -0.45833333  0.20833333  0.00000000       0.003
   0.33333333 -0.45833333  0.00000000       0.003
  -0.20833333  0.33333333  0.00000000       0.003
   0.33333333 -0.20833333  0.00000000       0.003
  -0.20833333  0.45833333  0.00000000       0.003
   0.45833333 -0.33333333  0.00000000       0.003
  -0.41666667  0.20833333  0.00000000       0.003
   0.37500000 -0.41666667  0.00000000       0.003
  -0.20833333  0.37500000  0.00000000       0.003
   0.37500000 -0.20833333  0.00000000       0.003
  -0.20833333  0.41666667  0.00000000       0.003
   0.41666667 -0.37500000  0.00000000       0.003
   0.50000000  0.25000000  0.00000000       0.003
   0.25000000  0.50000000  0.00000000       0.003
  -0.25000000  0.25000000  0.00000000       0.003
  -0.45833333  0.25000000  0.00000000       0.003
   0.29166667 -0.45833333  0.00000000       0.003
  -0.25000000  0.29166667  0.00000000       0.003
   0.29166667 -0.25000000  0.00000000       0.003
  -0.25000000  0.45833333  0.00000000       0.003
   0.45833333 -0.29166667  0.00000000       0.003
  -0.41666667  0.25000000  0.00000000       0.003
   0.33333333 -0.41666667  0.00000000       0.003
  -0.25000000  0.33333333  0.00000000       0.003
   0.33333333 -0.25000000  0.00000000       0.003
  -0.25000000  0.41666667  0.00000000       0.003
   0.41666667 -0.33333333  0.00000000       0.003
  -0.37500000  0.25000000  0.00000000       0.003
   0.37500000 -0.37500000  0.00000000       0.003
  -0.25000000  0.37500000  0.00000000       0.003
  -0.41666667  0.29166667  0.00000000       0.003
   0.29166667 -0.41666667  0.00000000       0.003
  -0.29166667  0.29166667  0.00000000       0.003
  -0.37500000  0.29166667  0.00000000       0.003
   0.33333333 -0.37500000  0.00000000       0.003
  -0.29166667  0.33333333  0.00000000       0.003
   0.33333333 -0.29166667  0.00000000       0.003
  -0.29166667  0.37500000  0.00000000       0.003
   0.37500000 -0.33333333  0.00000000       0.003
  -0.33333333  0.33333333  0.00000000       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.33333333  0.33333333  0.10605356
   0.66666667  0.66666667  0.20983433
   0.00000000  0.00000000  0.31588790
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.42872988  0.82487758  2.33310613
   2.85745977  1.64975517  4.61621226
   0.00000000  0.00000000  6.94931839
 


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


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    2867
 k-point   2 :   0.0417-0.0000 0.0000  plane waves:    2842
 k-point   3 :   0.0417 0.0417 0.0000  plane waves:    2842
 k-point   4 :   0.0000 0.0417 0.0000  plane waves:    2842
 k-point   5 :   0.0833 0.0000 0.0000  plane waves:    2836
 k-point   6 :   0.0833 0.0833 0.0000  plane waves:    2836
 k-point   7 :   0.0000 0.0833 0.0000  plane waves:    2836
 k-point   8 :   0.1250 0.0000 0.0000  plane waves:    2834
 k-point   9 :   0.1250 0.1250 0.0000  plane waves:    2834
 k-point  10 :   0.0000 0.1250 0.0000  plane waves:    2834
 k-point  11 :   0.1667-0.0000 0.0000  plane waves:    2840
 k-point  12 :   0.1667 0.1667 0.0000  plane waves:    2840
 k-point  13 :   0.0000 0.1667 0.0000  plane waves:    2840
 k-point  14 :   0.2083 0.0000 0.0000  plane waves:    2842
 k-point  15 :   0.2083 0.2083 0.0000  plane waves:    2842
 k-point  16 :   0.0000 0.2083 0.0000  plane waves:    2842
 k-point  17 :   0.2500 0.0000 0.0000  plane waves:    2840
 k-point  18 :   0.2500 0.2500 0.0000  plane waves:    2840
 k-point  19 :   0.0000 0.2500 0.0000  plane waves:    2840
 k-point  20 :   0.2917 0.0000 0.0000  plane waves:    2838
 k-point  21 :   0.2917 0.2917 0.0000  plane waves:    2838
 k-point  22 :   0.0000 0.2917 0.0000  plane waves:    2838
 k-point  23 :   0.3333 0.0000 0.0000  plane waves:    2834
 k-point  24 :   0.3333 0.3333 0.0000  plane waves:    2834
 k-point  25 :   0.0000 0.3333 0.0000  plane waves:    2834
 k-point  26 :   0.3750 0.0000 0.0000  plane waves:    2834
 k-point  27 :   0.3750 0.3750 0.0000  plane waves:    2834
 k-point  28 :   0.0000 0.3750 0.0000  plane waves:    2834
 k-point  29 :   0.4167 0.0000 0.0000  plane waves:    2828
 k-point  30 :   0.4167 0.4167 0.0000  plane waves:    2828
 k-point  31 :   0.0000 0.4167 0.0000  plane waves:    2828
 k-point  32 :   0.4583 0.0000 0.0000  plane waves:    2828
 k-point  33 :   0.4583 0.4583 0.0000  plane waves:    2828
 k-point  34 :   0.0000 0.4583 0.0000  plane waves:    2828
 k-point  35 :   0.5000 0.0000 0.0000  plane waves:    2824
 k-point  36 :   0.5000 0.5000 0.0000  plane waves:    2824
 k-point  37 :   0.0000 0.5000 0.0000  plane waves:    2824
 k-point  38 :   0.0833 0.0417 0.0000  plane waves:    2833
 k-point  39 :   0.0417 0.0833 0.0000  plane waves:    2833
 k-point  40 :  -0.0417 0.0417 0.0000  plane waves:    2833
 k-point  41 :   0.1250 0.0417 0.0000  plane waves:    2835
 k-point  42 :   0.0833 0.1250 0.0000  plane waves:    2835
 k-point  43 :  -0.0417 0.0833 0.0000  plane waves:    2835
 k-point  44 :   0.0833-0.0417 0.0000  plane waves:    2835
 k-point  45 :  -0.0417-0.1250 0.0000  plane waves:    2835
 k-point  46 :  -0.1250-0.0833 0.0000  plane waves:    2835
 k-point  47 :   0.1667 0.0417 0.0000  plane waves:    2838
 k-point  48 :   0.1250 0.1667 0.0000  plane waves:    2838
 k-point  49 :  -0.0417 0.1250 0.0000  plane waves:    2838
 k-point  50 :   0.1250-0.0417 0.0000  plane waves:    2838
 k-point  51 :  -0.0417-0.1667 0.0000  plane waves:    2838
 k-point  52 :  -0.1667-0.1250 0.0000  plane waves:    2838
 k-point  53 :   0.2083 0.0417 0.0000  plane waves:    2840
 k-point  54 :   0.1667 0.2083 0.0000  plane waves:    2840
 k-point  55 :  -0.0417 0.1667 0.0000  plane waves:    2840
 k-point  56 :   0.1667-0.0417 0.0000  plane waves:    2840
 k-point  57 :  -0.0417-0.2083 0.0000  plane waves:    2840
 k-point  58 :  -0.2083-0.1667 0.0000  plane waves:    2840
 k-point  59 :   0.2500 0.0417 0.0000  plane waves:    2844
 k-point  60 :   0.2083 0.2500 0.0000  plane waves:    2844
 k-point  61 :  -0.0417 0.2083 0.0000  plane waves:    2844
 k-point  62 :   0.2083-0.0417 0.0000  plane waves:    2844
 k-point  63 :  -0.0417-0.2500 0.0000  plane waves:    2844
 k-point  64 :  -0.2500-0.2083 0.0000  plane waves:    2844
 k-point  65 :   0.2917 0.0417 0.0000  plane waves:    2836
 k-point  66 :   0.2500 0.2917 0.0000  plane waves:    2836
 k-point  67 :  -0.0417 0.2500 0.0000  plane waves:    2836
 k-point  68 :   0.2500-0.0417 0.0000  plane waves:    2836
 k-point  69 :  -0.0417-0.2917 0.0000  plane waves:    2836
 k-point  70 :  -0.2917-0.2500 0.0000  plane waves:    2836
 k-point  71 :   0.3333 0.0417 0.0000  plane waves:    2826
 k-point  72 :   0.2917 0.3333 0.0000  plane waves:    2826
 k-point  73 :  -0.0417 0.2917 0.0000  plane waves:    2826
 k-point  74 :   0.2917-0.0417 0.0000  plane waves:    2826
 k-point  75 :  -0.0417-0.3333 0.0000  plane waves:    2826
 k-point  76 :  -0.3333-0.2917 0.0000  plane waves:    2826
 k-point  77 :   0.3750 0.0417 0.0000  plane waves:    2833
 k-point  78 :   0.3333 0.3750 0.0000  plane waves:    2833
 k-point  79 :  -0.0417 0.3333 0.0000  plane waves:    2833
 k-point  80 :   0.3333-0.0417 0.0000  plane waves:    2833
 k-point  81 :  -0.0417-0.3750 0.0000  plane waves:    2833
 k-point  82 :  -0.3750-0.3333 0.0000  plane waves:    2833
 k-point  83 :   0.4167 0.0417 0.0000  plane waves:    2829
 k-point  84 :   0.3750 0.4167 0.0000  plane waves:    2829
 k-point  85 :  -0.0417 0.3750 0.0000  plane waves:    2829
 k-point  86 :   0.3750-0.0417 0.0000  plane waves:    2829
 k-point  87 :  -0.0417-0.4167 0.0000  plane waves:    2829
 k-point  88 :  -0.4167-0.3750 0.0000  plane waves:    2829
 k-point  89 :   0.4583 0.0417 0.0000  plane waves:    2824
 k-point  90 :   0.4167 0.4583 0.0000  plane waves:    2824
 k-point  91 :  -0.0417 0.4167 0.0000  plane waves:    2824
 k-point  92 :   0.4167-0.0417 0.0000  plane waves:    2824
 k-point  93 :  -0.0417-0.4583 0.0000  plane waves:    2824
 k-point  94 :  -0.4583-0.4167 0.0000  plane waves:    2824
 k-point  95 :   0.5000 0.0417 0.0000  plane waves:    2832
 k-point  96 :   0.4583 0.5000 0.0000  plane waves:    2832
 k-point  97 :  -0.0417 0.4583 0.0000  plane waves:    2832
 k-point  98 :   0.4583-0.0417 0.0000  plane waves:    2832
 k-point  99 :  -0.0417 0.5000 0.0000  plane waves:    2832
 k-point 100 :   0.5000-0.4583 0.0000  plane waves:    2832
 k-point 101 :   0.1667 0.0833 0.0000  plane waves:    2847
 k-point 102 :   0.0833 0.1667 0.0000  plane waves:    2847
 k-point 103 :  -0.0833 0.0833 0.0000  plane waves:    2847
 k-point 104 :   0.2083 0.0833 0.0000  plane waves:    2843
 k-point 105 :   0.1250 0.2083 0.0000  plane waves:    2843
 k-point 106 :  -0.0833 0.1250 0.0000  plane waves:    2843
 k-point 107 :   0.1250-0.0833 0.0000  plane waves:    2843
 k-point 108 :  -0.0833-0.2083 0.0000  plane waves:    2843
 k-point 109 :  -0.2083-0.1250 0.0000  plane waves:    2843
 k-point 110 :   0.2500 0.0833 0.0000  plane waves:    2844
 k-point 111 :   0.1667 0.2500 0.0000  plane waves:    2844
 k-point 112 :  -0.0833 0.1667 0.0000  plane waves:    2844
 k-point 113 :   0.1667-0.0833 0.0000  plane waves:    2844
 k-point 114 :  -0.0833-0.2500 0.0000  plane waves:    2844
 k-point 115 :  -0.2500-0.1667 0.0000  plane waves:    2844
 k-point 116 :   0.2917 0.0833 0.0000  plane waves:    2840
 k-point 117 :   0.2083 0.2917 0.0000  plane waves:    2840
 k-point 118 :  -0.0833 0.2083 0.0000  plane waves:    2840
 k-point 119 :   0.2083-0.0833 0.0000  plane waves:    2840
 k-point 120 :  -0.0833-0.2917 0.0000  plane waves:    2840
 k-point 121 :  -0.2917-0.2083 0.0000  plane waves:    2840
 k-point 122 :   0.3333 0.0833 0.0000  plane waves:    2832
 k-point 123 :   0.2500 0.3333 0.0000  plane waves:    2832
 k-point 124 :  -0.0833 0.2500 0.0000  plane waves:    2832
 k-point 125 :   0.2500-0.0833 0.0000  plane waves:    2832
 k-point 126 :  -0.0833-0.3333 0.0000  plane waves:    2832
 k-point 127 :  -0.3333-0.2500 0.0000  plane waves:    2832
 k-point 128 :   0.3750 0.0833 0.0000  plane waves:    2825
 k-point 129 :   0.2917 0.3750 0.0000  plane waves:    2825
 k-point 130 :  -0.0833 0.2917 0.0000  plane waves:    2825
 k-point 131 :   0.2917-0.0833 0.0000  plane waves:    2825
 k-point 132 :  -0.0833-0.3750 0.0000  plane waves:    2825
 k-point 133 :  -0.3750-0.2917 0.0000  plane waves:    2825
 k-point 134 :   0.4167 0.0833 0.0000  plane waves:    2830
 k-point 135 :   0.3333 0.4167 0.0000  plane waves:    2830
 k-point 136 :  -0.0833 0.3333 0.0000  plane waves:    2830
 k-point 137 :   0.3333-0.0833 0.0000  plane waves:    2830
 k-point 138 :  -0.0833-0.4167 0.0000  plane waves:    2830
 k-point 139 :  -0.4167-0.3333 0.0000  plane waves:    2830
 k-point 140 :   0.4583 0.0833 0.0000  plane waves:    2823
 k-point 141 :   0.3750 0.4583 0.0000  plane waves:    2823
 k-point 142 :  -0.0833 0.3750 0.0000  plane waves:    2823
 k-point 143 :   0.3750-0.0833 0.0000  plane waves:    2823
 k-point 144 :  -0.0833-0.4583 0.0000  plane waves:    2823
 k-point 145 :  -0.4583-0.3750 0.0000  plane waves:    2823
 k-point 146 :   0.5000 0.0833 0.0000  plane waves:    2817
 k-point 147 :   0.4167 0.5000 0.0000  plane waves:    2817
 k-point 148 :  -0.0833 0.4167 0.0000  plane waves:    2817
 k-point 149 :   0.4167-0.0833 0.0000  plane waves:    2817
 k-point 150 :  -0.0833 0.5000 0.0000  plane waves:    2817
 k-point 151 :   0.5000-0.4167 0.0000  plane waves:    2817
 k-point 152 :  -0.4583 0.0833 0.0000  plane waves:    2820
 k-point 153 :   0.4583-0.4583 0.0000  plane waves:    2820
 k-point 154 :  -0.0833 0.4583 0.0000  plane waves:    2820
 k-point 155 :   0.2500 0.1250 0.0000  plane waves:    2839
 k-point 156 :   0.1250 0.2500 0.0000  plane waves:    2839
 k-point 157 :  -0.1250 0.1250 0.0000  plane waves:    2839
 k-point 158 :   0.2917 0.1250 0.0000  plane waves:    2831
 k-point 159 :   0.1667 0.2917 0.0000  plane waves:    2831
 k-point 160 :  -0.1250 0.1667 0.0000  plane waves:    2831
 k-point 161 :   0.1667-0.1250 0.0000  plane waves:    2831
 k-point 162 :  -0.1250-0.2917 0.0000  plane waves:    2831
 k-point 163 :  -0.2917-0.1667 0.0000  plane waves:    2831
 k-point 164 :   0.3333 0.1250 0.0000  plane waves:    2832
 k-point 165 :   0.2083 0.3333 0.0000  plane waves:    2832
 k-point 166 :  -0.1250 0.2083 0.0000  plane waves:    2832
 k-point 167 :   0.2083-0.1250 0.0000  plane waves:    2832
 k-point 168 :  -0.1250-0.3333 0.0000  plane waves:    2832
 k-point 169 :  -0.3333-0.2083 0.0000  plane waves:    2832
 k-point 170 :   0.3750 0.1250 0.0000  plane waves:    2831
 k-point 171 :   0.2500 0.3750 0.0000  plane waves:    2831
 k-point 172 :  -0.1250 0.2500 0.0000  plane waves:    2831
 k-point 173 :   0.2500-0.1250 0.0000  plane waves:    2831
 k-point 174 :  -0.1250-0.3750 0.0000  plane waves:    2831
 k-point 175 :  -0.3750-0.2500 0.0000  plane waves:    2831
 k-point 176 :   0.4167 0.1250 0.0000  plane waves:    2832
 k-point 177 :   0.2917 0.4167 0.0000  plane waves:    2832
 k-point 178 :  -0.1250 0.2917 0.0000  plane waves:    2832
 k-point 179 :   0.2917-0.1250 0.0000  plane waves:    2832
 k-point 180 :  -0.1250-0.4167 0.0000  plane waves:    2832
 k-point 181 :  -0.4167-0.2917 0.0000  plane waves:    2832
 k-point 182 :   0.4583 0.1250 0.0000  plane waves:    2822
 k-point 183 :   0.3333 0.4583 0.0000  plane waves:    2822
 k-point 184 :  -0.1250 0.3333 0.0000  plane waves:    2822
 k-point 185 :   0.3333-0.1250 0.0000  plane waves:    2822
 k-point 186 :  -0.1250-0.4583 0.0000  plane waves:    2822
 k-point 187 :  -0.4583-0.3333 0.0000  plane waves:    2822
 k-point 188 :   0.5000 0.1250 0.0000  plane waves:    2824
 k-point 189 :   0.3750 0.5000 0.0000  plane waves:    2824
 k-point 190 :  -0.1250 0.3750 0.0000  plane waves:    2824
 k-point 191 :   0.3750-0.1250 0.0000  plane waves:    2824
 k-point 192 :  -0.1250 0.5000 0.0000  plane waves:    2824
 k-point 193 :   0.5000-0.3750 0.0000  plane waves:    2824
 k-point 194 :  -0.4583 0.1250 0.0000  plane waves:    2815
 k-point 195 :   0.4167-0.4583 0.0000  plane waves:    2815
 k-point 196 :  -0.1250 0.4167 0.0000  plane waves:    2815
 k-point 197 :   0.4167-0.1250 0.0000  plane waves:    2815
 k-point 198 :  -0.1250 0.4583 0.0000  plane waves:    2815
 k-point 199 :   0.4583-0.4167 0.0000  plane waves:    2815
 k-point 200 :   0.3333 0.1667 0.0000  plane waves:    2839
 k-point 201 :   0.1667 0.3333 0.0000  plane waves:    2839
 k-point 202 :  -0.1667 0.1667 0.0000  plane waves:    2839
 k-point 203 :   0.3750 0.1667 0.0000  plane waves:    2824
 k-point 204 :   0.2083 0.3750 0.0000  plane waves:    2824
 k-point 205 :  -0.1667 0.2083 0.0000  plane waves:    2824
 k-point 206 :   0.2083-0.1667 0.0000  plane waves:    2824
 k-point 207 :  -0.1667-0.3750 0.0000  plane waves:    2824
 k-point 208 :  -0.3750-0.2083 0.0000  plane waves:    2824
 k-point 209 :   0.4167 0.1667 0.0000  plane waves:    2830
 k-point 210 :   0.2500 0.4167 0.0000  plane waves:    2830
 k-point 211 :  -0.1667 0.2500 0.0000  plane waves:    2830
 k-point 212 :   0.2500-0.1667 0.0000  plane waves:    2830
 k-point 213 :  -0.1667-0.4167 0.0000  plane waves:    2830
 k-point 214 :  -0.4167-0.2500 0.0000  plane waves:    2830
 k-point 215 :   0.4583 0.1667 0.0000  plane waves:    2832
 k-point 216 :   0.2917 0.4583 0.0000  plane waves:    2832
 k-point 217 :  -0.1667 0.2917 0.0000  plane waves:    2832
 k-point 218 :   0.2917-0.1667 0.0000  plane waves:    2832
 k-point 219 :  -0.1667-0.4583 0.0000  plane waves:    2832
 k-point 220 :  -0.4583-0.2917 0.0000  plane waves:    2832
 k-point 221 :   0.5000 0.1667 0.0000  plane waves:    2813
 k-point 222 :   0.3333 0.5000 0.0000  plane waves:    2813
 k-point 223 :  -0.1667 0.3333 0.0000  plane waves:    2813
 k-point 224 :   0.3333-0.1667 0.0000  plane waves:    2813
 k-point 225 :  -0.1667 0.5000 0.0000  plane waves:    2813
 k-point 226 :   0.5000-0.3333 0.0000  plane waves:    2813
 k-point 227 :  -0.4583 0.1667 0.0000  plane waves:    2806
 k-point 228 :   0.3750-0.4583 0.0000  plane waves:    2806
 k-point 229 :  -0.1667 0.3750 0.0000  plane waves:    2806
 k-point 230 :   0.3750-0.1667 0.0000  plane waves:    2806
 k-point 231 :  -0.1667 0.4583 0.0000  plane waves:    2806
 k-point 232 :   0.4583-0.3750 0.0000  plane waves:    2806
 k-point 233 :  -0.4167 0.1667 0.0000  plane waves:    2804
 k-point 234 :   0.4167-0.4167 0.0000  plane waves:    2804
 k-point 235 :  -0.1667 0.4167 0.0000  plane waves:    2804
 k-point 236 :   0.4167 0.2083 0.0000  plane waves:    2827
 k-point 237 :   0.2083 0.4167 0.0000  plane waves:    2827
 k-point 238 :  -0.2083 0.2083 0.0000  plane waves:    2827
 k-point 239 :   0.4583 0.2083 0.0000  plane waves:    2820
 k-point 240 :   0.2500 0.4583 0.0000  plane waves:    2820
 k-point 241 :  -0.2083 0.2500 0.0000  plane waves:    2820
 k-point 242 :   0.2500-0.2083 0.0000  plane waves:    2820
 k-point 243 :  -0.2083-0.4583 0.0000  plane waves:    2820
 k-point 244 :  -0.4583-0.2500 0.0000  plane waves:    2820
 k-point 245 :   0.5000 0.2083 0.0000  plane waves:    2816
 k-point 246 :   0.2917 0.5000 0.0000  plane waves:    2816
 k-point 247 :  -0.2083 0.2917 0.0000  plane waves:    2816
 k-point 248 :   0.2917-0.2083 0.0000  plane waves:    2816
 k-point 249 :  -0.2083 0.5000 0.0000  plane waves:    2816
 k-point 250 :   0.5000-0.2917 0.0000  plane waves:    2816
 k-point 251 :  -0.4583 0.2083 0.0000  plane waves:    2802
 k-point 252 :   0.3333-0.4583 0.0000  plane waves:    2802
 k-point 253 :  -0.2083 0.3333 0.0000  plane waves:    2802
 k-point 254 :   0.3333-0.2083 0.0000  plane waves:    2802
 k-point 255 :  -0.2083 0.4583 0.0000  plane waves:    2802
 k-point 256 :   0.4583-0.3333 0.0000  plane waves:    2802
 k-point 257 :  -0.4167 0.2083 0.0000  plane waves:    2802
 k-point 258 :   0.3750-0.4167 0.0000  plane waves:    2802
 k-point 259 :  -0.2083 0.3750 0.0000  plane waves:    2802
 k-point 260 :   0.3750-0.2083 0.0000  plane waves:    2802
 k-point 261 :  -0.2083 0.4167 0.0000  plane waves:    2802
 k-point 262 :   0.4167-0.3750 0.0000  plane waves:    2802
 k-point 263 :   0.5000 0.2500 0.0000  plane waves:    2809
 k-point 264 :   0.2500 0.5000 0.0000  plane waves:    2809
 k-point 265 :  -0.2500 0.2500 0.0000  plane waves:    2809
 k-point 266 :  -0.4583 0.2500 0.0000  plane waves:    2802
 k-point 267 :   0.2917-0.4583 0.0000  plane waves:    2802
 k-point 268 :  -0.2500 0.2917 0.0000  plane waves:    2802
 k-point 269 :   0.2917-0.2500 0.0000  plane waves:    2802
 k-point 270 :  -0.2500 0.4583 0.0000  plane waves:    2802
 k-point 271 :   0.4583-0.2917 0.0000  plane waves:    2802
 k-point 272 :  -0.4167 0.2500 0.0000  plane waves:    2792
 k-point 273 :   0.3333-0.4167 0.0000  plane waves:    2792
 k-point 274 :  -0.2500 0.3333 0.0000  plane waves:    2792
 k-point 275 :   0.3333-0.2500 0.0000  plane waves:    2792
 k-point 276 :  -0.2500 0.4167 0.0000  plane waves:    2792
 k-point 277 :   0.4167-0.3333 0.0000  plane waves:    2792
 k-point 278 :  -0.3750 0.2500 0.0000  plane waves:    2794
 k-point 279 :   0.3750-0.3750 0.0000  plane waves:    2794
 k-point 280 :  -0.2500 0.3750 0.0000  plane waves:    2794
 k-point 281 :  -0.4167 0.2917 0.0000  plane waves:    2791
 k-point 282 :   0.2917-0.4167 0.0000  plane waves:    2791
 k-point 283 :  -0.2917 0.2917 0.0000  plane waves:    2791
 k-point 284 :  -0.3750 0.2917 0.0000  plane waves:    2790
 k-point 285 :   0.3333-0.3750 0.0000  plane waves:    2790
 k-point 286 :  -0.2917 0.3333 0.0000  plane waves:    2790
 k-point 287 :   0.3333-0.2917 0.0000  plane waves:    2790
 k-point 288 :  -0.2917 0.3750 0.0000  plane waves:    2790
 k-point 289 :   0.3750-0.3333 0.0000  plane waves:    2790
 k-point 290 :  -0.3333 0.3333 0.0000  plane waves:    2760

 maximum and minimum number of plane-waves per node :       739      669

 maximum number of plane-waves:      2867
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=   35
   IXMIN=   -5   IYMIN=   -5   IZMIN=  -35


 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 =108

 
 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   :        353.67 KBytes
  max/ min on nodes  :        104.77         70.88

 Maximum index for augmentation-charges in exchange          386
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0   116041. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13930. kBytes
   fftplans  :       5088. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        216. kBytes
   wavefun   :      63141. kBytes
 
     INWAV:  cpu time      1.7695: real time      1.7734
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 71
  (NGX  = 40   NGY  = 40   NGZ  =288)
  gives a total of   5751 points

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


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


 Maximum index for augmentation-charges         7082 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.330
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x10

    FEWALD:  cpu time      0.0016: real time      0.0016


--------------------------------------- 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      0.9375: real time      0.9400
    SETDIJ:  cpu time      0.8128: real time      0.8143
    TRIAL :  cpu time   3648.7927: real time   3659.2514
    CORREC:  cpu time      0.0136: real time      0.0136
    CHARGE:  cpu time      0.4439: real time      0.4452
    --------------------------------------------
      LOOP:  cpu time   3651.0064: real time   3661.5783

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1014329E+02  (-0.1237819E+00)
 number of electron      12.0000000 magnetization      -0.0000002
 augmentation part       -0.1686351 magnetization       0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.75523168
  -exchange      EXHF   =        26.51637549
  -V(xc)+E(xc)   XCENC  =       -66.94898164
  PAW double counting   =       342.87942691     -262.13386597
  entropy T*S    EENTRO =         0.00253031
  eigenvalues    EBANDS =       -52.67366504
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.14329364 eV

  energy without entropy =      -10.14582395  energy(sigma->0) =      -10.14413707
  exchange ACFDT corr.  =         0.00065272  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5373: real time      0.5388
    SETDIJ:  cpu time      0.8107: real time      0.8123
    TRIAL :  cpu time   3595.0005: real time   3605.2518
    CORREC:  cpu time      0.0130: real time      0.0130
    CHARGE:  cpu time      0.4279: real time      0.4291
    --------------------------------------------
      LOOP:  cpu time   3596.7897: real time   3607.0453

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1150564E+00  (-0.1566586E+00)
 number of electron      12.0000000 magnetization      -0.0000001
 augmentation part       -0.1462697 magnetization       0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.28413878
  -exchange      EXHF   =        26.51892202
  -V(xc)+E(xc)   XCENC  =       -66.92916546
  PAW double counting   =       503.29222254     -422.53132743
  entropy T*S    EENTRO =         0.00267245
  eigenvalues    EBANDS =       -53.29762964
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.25834999 eV

  energy without entropy =      -10.26102244  energy(sigma->0) =      -10.25924081
  exchange ACFDT corr.  =         0.00033393  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5367: real time      0.5382
    SETDIJ:  cpu time      0.8106: real time      0.8122
    TRIAL :  cpu time   3607.8626: real time   3618.2548
    CORREC:  cpu time      0.0126: real time      0.0126
    CHARGE:  cpu time      0.4273: real time      0.4285
    --------------------------------------------
      LOOP:  cpu time   3609.6502: real time   3620.0466

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1406448E+00  (-0.1410334E+00)
 number of electron      12.0000000 magnetization       0.0000007
 augmentation part       -0.1231021 magnetization       0.0000007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1102.84956560
  -exchange      EXHF   =        26.52559982
  -V(xc)+E(xc)   XCENC  =       -66.90226778
  PAW double counting   =       983.93177325     -903.15176136
  entropy T*S    EENTRO =         0.00279364
  eigenvalues    EBANDS =       -53.92568206
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.39899483 eV

  energy without entropy =      -10.40178846  energy(sigma->0) =      -10.39992604
  exchange ACFDT corr.  =         0.00038558  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5371: real time      0.5385
    SETDIJ:  cpu time      0.8097: real time      0.8112
    TRIAL :  cpu time   3598.8506: real time   3609.0442
    CORREC:  cpu time      0.0128: real time      0.0128
    CHARGE:  cpu time      0.4520: real time      0.4533
    --------------------------------------------
      LOOP:  cpu time   3600.6625: real time   3610.8603

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1260771E+00  (-0.1170749E+00)
 number of electron      12.0000000 magnetization       0.0000018
 augmentation part       -0.1019450 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1102.73663083
  -exchange      EXHF   =        26.53676709
  -V(xc)+E(xc)   XCENC  =       -66.87748310
  PAW double counting   =      2112.35708036    -2031.56183076
  entropy T*S    EENTRO =         0.00288739
  eigenvalues    EBANDS =       -54.21600478
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.52507193 eV

  energy without entropy =      -10.52795932  energy(sigma->0) =      -10.52603439
  exchange ACFDT corr.  =         0.00041632  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5370: real time      0.5385
    SETDIJ:  cpu time      0.8092: real time      0.8108
    TRIAL :  cpu time   3598.1284: real time   3608.3772
    CORREC:  cpu time      0.0118: real time      0.0118
    CHARGE:  cpu time      0.4577: real time      0.4589
    --------------------------------------------
      LOOP:  cpu time   3599.9445: real time   3610.1976

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1059303E+00  (-0.9722833E-01)
 number of electron      12.0000000 magnetization       0.0000027
 augmentation part       -0.0835696 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1102.91823552
  -exchange      EXHF   =        26.54963615
  -V(xc)+E(xc)   XCENC  =       -66.86037456
  PAW double counting   =      4278.81752878    -4198.01472321
  entropy T*S    EENTRO =         0.00296153
  eigenvalues    EBANDS =       -54.17795768
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.63100220 eV

  energy without entropy =      -10.63396374  energy(sigma->0) =      -10.63198938
  exchange ACFDT corr.  =         0.00045683  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5393: real time      0.5407
    SETDIJ:  cpu time      0.8085: real time      0.8100
    TRIAL :  cpu time   3592.1476: real time   3602.3100
    CORREC:  cpu time      0.0128: real time      0.0128
    CHARGE:  cpu time      0.4398: real time      0.4410
    --------------------------------------------
      LOOP:  cpu time   3593.9487: real time   3604.1152

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8851422E-01  (-0.7926926E-01)
 number of electron      12.0000000 magnetization       0.0000028
 augmentation part       -0.0676402 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.19962080
  -exchange      EXHF   =        26.56003942
  -V(xc)+E(xc)   XCENC  =       -66.85252732
  PAW double counting   =      7814.67730437    -7733.87482269
  entropy T*S    EENTRO =         0.00302329
  eigenvalues    EBANDS =       -54.00308739
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.71951642 eV

  energy without entropy =      -10.72253971  energy(sigma->0) =      -10.72052419
  exchange ACFDT corr.  =         0.00052916  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5360: real time      0.5375
    SETDIJ:  cpu time      0.8077: real time      0.8092
    TRIAL :  cpu time   3592.4168: real time   3602.5334
    CORREC:  cpu time      0.0124: real time      0.0124
    CHARGE:  cpu time      0.4268: real time      0.4280
    --------------------------------------------
      LOOP:  cpu time   3594.2000: real time   3604.3208

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7164372E-01  (-0.6122899E-01)
 number of electron      12.0000000 magnetization       0.0000023
 augmentation part       -0.0535222 magnetization       0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.41197848
  -exchange      EXHF   =        26.56540181
  -V(xc)+E(xc)   XCENC  =       -66.85212316
  PAW double counting   =     12950.54597843   -12869.74935732
  entropy T*S    EENTRO =         0.00307611
  eigenvalues    EBANDS =       -53.86234117
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.79116014 eV

  energy without entropy =      -10.79423625  energy(sigma->0) =      -10.79218551
  exchange ACFDT corr.  =         0.00058610  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5355: real time      0.5369
    SETDIJ:  cpu time      0.8093: real time      0.8108
    TRIAL :  cpu time   3603.4327: real time   3613.5080
    CORREC:  cpu time      0.0125: real time      0.0125
    CHARGE:  cpu time      0.4284: real time      0.4297
    --------------------------------------------
      LOOP:  cpu time   3605.2188: real time   3615.2983

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5456078E-01  (-0.4432882E-01)
 number of electron      12.0000000 magnetization       0.0000013
 augmentation part       -0.0408145 magnetization       0.0000015

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.49937296
  -exchange      EXHF   =        26.56612183
  -V(xc)+E(xc)   XCENC  =       -66.85550151
  PAW double counting   =     19832.09106418   -19751.30256529
  entropy T*S    EENTRO =         0.00312088
  eigenvalues    EBANDS =       -53.81877974
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84572092 eV

  energy without entropy =      -10.84884180  energy(sigma->0) =      -10.84676121
  exchange ACFDT corr.  =         0.00061305  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5356: real time      0.5370
    SETDIJ:  cpu time      0.8089: real time      0.8106
    TRIAL :  cpu time   3563.1563: real time   3573.1681
    CORREC:  cpu time      0.0125: real time      0.0126
    CHARGE:  cpu time      0.4349: real time      0.4361
    --------------------------------------------
      LOOP:  cpu time   3564.9486: real time   3574.9647

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3890971E-01  (-0.2998161E-01)
 number of electron      12.0000000 magnetization       0.0000002
 augmentation part       -0.0295992 magnetization       0.0000020

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.50625869
  -exchange      EXHF   =        26.56473726
  -V(xc)+E(xc)   XCENC  =       -66.85910400
  PAW double counting   =     28471.37691641   -28390.59595565
  entropy T*S    EENTRO =         0.00315682
  eigenvalues    EBANDS =       -53.83832330
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.88463063 eV

  energy without entropy =      -10.88778745  energy(sigma->0) =      -10.88568290
  exchange ACFDT corr.  =         0.00062601  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5347: real time      0.5361
    SETDIJ:  cpu time      0.8090: real time      0.8107
    TRIAL :  cpu time   3560.5176: real time   3570.7099
    CORREC:  cpu time      0.0125: real time      0.0125
    CHARGE:  cpu time      0.4365: real time      0.4377
    --------------------------------------------
      LOOP:  cpu time   3562.3106: real time   3572.5073

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2588427E-01  (-0.1860861E-01)
 number of electron      12.0000000 magnetization      -0.0000007
 augmentation part       -0.0202814 magnetization       0.0000022

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.51154198
  -exchange      EXHF   =        26.56381337
  -V(xc)+E(xc)   XCENC  =       -66.86097705
  PAW double counting   =     38520.17857881   -38439.40321813
  entropy T*S    EENTRO =         0.00318325
  eigenvalues    EBANDS =       -53.85056320
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.91051490 eV

  energy without entropy =      -10.91369816  energy(sigma->0) =      -10.91157599
  exchange ACFDT corr.  =         0.00064331  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5355: real time      0.5369
    SETDIJ:  cpu time      0.8087: real time      0.8102
    TRIAL :  cpu time   3560.0629: real time   3570.1534
    CORREC:  cpu time      0.0122: real time      0.0122
    CHARGE:  cpu time      0.4376: real time      0.4388
    --------------------------------------------
      LOOP:  cpu time   3561.8572: real time   3571.9518

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1573346E-01  (-0.1041315E-01)
 number of electron      12.0000000 magnetization      -0.0000014
 augmentation part       -0.0131208 magnetization       0.0000020

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.55159336
  -exchange      EXHF   =        26.56417984
  -V(xc)+E(xc)   XCENC  =       -66.86123692
  PAW double counting   =     49087.29987736   -49006.52827947
  entropy T*S    EENTRO =         0.00320171
  eigenvalues    EBANDS =       -53.82261553
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.92624837 eV

  energy without entropy =      -10.92945008  energy(sigma->0) =      -10.92731561
  exchange ACFDT corr.  =         0.00065326  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5350: real time      0.5365
    SETDIJ:  cpu time      0.8086: real time      0.8101
    TRIAL :  cpu time   3558.2837: real time   3568.6198
    CORREC:  cpu time      0.0126: real time      0.0126
    CHARGE:  cpu time      0.4277: real time      0.4289
    --------------------------------------------
      LOOP:  cpu time   3560.0680: real time   3570.4083

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8585592E-02  (-0.5227464E-02)
 number of electron      12.0000000 magnetization      -0.0000019
 augmentation part       -0.0080260 magnetization       0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.60368322
  -exchange      EXHF   =        26.56514135
  -V(xc)+E(xc)   XCENC  =       -66.86103743
  PAW double counting   =     59020.99553457   -58940.22675777
  entropy T*S    EENTRO =         0.00321499
  eigenvalues    EBANDS =       -53.77746963
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93483396 eV

  energy without entropy =      -10.93804895  energy(sigma->0) =      -10.93590562
  exchange ACFDT corr.  =         0.00065860  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5371: real time      0.5385
    SETDIJ:  cpu time      0.8102: real time      0.8118
    TRIAL :  cpu time   3562.0949: real time   3572.7559
    CORREC:  cpu time      0.0122: real time      0.0122
    CHARGE:  cpu time      0.4277: real time      0.4289
    --------------------------------------------
      LOOP:  cpu time   3563.8824: real time   3574.5476

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4183796E-02  (-0.2343038E-02)
 number of electron      12.0000000 magnetization      -0.0000022
 augmentation part       -0.0046547 magnetization       0.0000014

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.63764147
  -exchange      EXHF   =        26.56592128
  -V(xc)+E(xc)   XCENC  =       -66.86121638
  PAW double counting   =     67393.87098145   -67313.10462272
  entropy T*S    EENTRO =         0.00322464
  eigenvalues    EBANDS =       -53.74589135
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.93901776 eV

  energy without entropy =      -10.94224240  energy(sigma->0) =      -10.94009264
  exchange ACFDT corr.  =         0.00066715  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5371: real time      0.5386
    SETDIJ:  cpu time      0.8101: real time      0.8117
    TRIAL :  cpu time   3561.9027: real time   3571.9823
    CORREC:  cpu time      0.0124: real time      0.0124
    CHARGE:  cpu time      0.4265: real time      0.4277
    --------------------------------------------
      LOOP:  cpu time   3563.6892: real time   3573.7730

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1805942E-02  (-0.9302274E-03)
 number of electron      12.0000000 magnetization      -0.0000024
 augmentation part       -0.0025795 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.64988689
  -exchange      EXHF   =        26.56635920
  -V(xc)+E(xc)   XCENC  =       -66.86184185
  PAW double counting   =     73747.50475276   -73666.74058535
  entropy T*S    EENTRO =         0.00323067
  eigenvalues    EBANDS =       -53.73308266
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94082370 eV

  energy without entropy =      -10.94405437  energy(sigma->0) =      -10.94190059
  exchange ACFDT corr.  =         0.00067157  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5356: real time      0.5371
    SETDIJ:  cpu time      0.8094: real time      0.8109
    TRIAL :  cpu time   3561.5684: real time   3572.9701
    CORREC:  cpu time      0.0123: real time      0.0124
    CHARGE:  cpu time      0.4279: real time      0.4291
    --------------------------------------------
      LOOP:  cpu time   3563.3540: real time   3574.7599

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6868551E-03  (-0.3451075E-03)
 number of electron      12.0000000 magnetization      -0.0000025
 augmentation part       -0.0014094 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.65384458
  -exchange      EXHF   =        26.56668131
  -V(xc)+E(xc)   XCENC  =       -66.86254213
  PAW double counting   =     78074.17376771   -77993.41124950
  entropy T*S    EENTRO =         0.00323300
  eigenvalues    EBANDS =       -53.72779050
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94151055 eV

  energy without entropy =      -10.94474355  energy(sigma->0) =      -10.94258822
  exchange ACFDT corr.  =         0.00067400  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5372: real time      0.5387
    SETDIJ:  cpu time      0.8102: real time      0.8117
    TRIAL :  cpu time   3562.0690: real time   3572.1194
    CORREC:  cpu time      0.0125: real time      0.0125
    CHARGE:  cpu time      0.4281: real time      0.4292
    --------------------------------------------
      LOOP:  cpu time   3563.8573: real time   3573.9118

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2486714E-03  (-0.1458083E-03)
 number of electron      12.0000000 magnetization      -0.0000026
 augmentation part       -0.0008322 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.65886596
  -exchange      EXHF   =        26.56707185
  -V(xc)+E(xc)   XCENC  =       -66.86302190
  PAW double counting   =     80675.56595036   -80594.80452711
  entropy T*S    EENTRO =         0.00323231
  eigenvalues    EBANDS =       -53.72183593
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94175923 eV

  energy without entropy =      -10.94499154  energy(sigma->0) =      -10.94283666
  exchange ACFDT corr.  =         0.00067405  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5355: real time      0.5369
    SETDIJ:  cpu time      0.8109: real time      0.8125
    TRIAL :  cpu time   3550.3143: real time   3560.2760
    CORREC:  cpu time      0.0124: real time      0.0125
    CHARGE:  cpu time      0.4289: real time      0.4301
    --------------------------------------------
      LOOP:  cpu time   3552.1024: real time   3562.0683

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1108047E-03  (-0.8577279E-04)
 number of electron      12.0000000 magnetization      -0.0000028
 augmentation part       -0.0006186 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.66520723
  -exchange      EXHF   =        26.56753608
  -V(xc)+E(xc)   XCENC  =       -66.86324856
  PAW double counting   =     82012.38146174   -81931.62071967
  entropy T*S    EENTRO =         0.00322970
  eigenvalues    EBANDS =       -53.71516116
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94187003 eV

  energy without entropy =      -10.94509973  energy(sigma->0) =      -10.94294660
  exchange ACFDT corr.  =         0.00067234  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5372: real time      0.5386
    SETDIJ:  cpu time      0.8105: real time      0.8121
    TRIAL :  cpu time   3555.0026: real time   3564.8981
    CORREC:  cpu time      0.0125: real time      0.0125
    CHARGE:  cpu time      0.4267: real time      0.4279
    --------------------------------------------
      LOOP:  cpu time   3556.7899: real time   3566.6896

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7237175E-04  (-0.6300972E-04)
 number of electron      12.0000000 magnetization      -0.0000029
 augmentation part       -0.0006050 magnetization       0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.67066275
  -exchange      EXHF   =        26.56801224
  -V(xc)+E(xc)   XCENC  =       -66.86332851
  PAW double counting   =     82537.02632080   -82456.26584822
  entropy T*S    EENTRO =         0.00322595
  eigenvalues    EBANDS =       -53.70990211
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94194240 eV

  energy without entropy =      -10.94516835  energy(sigma->0) =      -10.94301772
  exchange ACFDT corr.  =         0.00065915  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5360: real time      0.5374
    SETDIJ:  cpu time      0.8112: real time      0.8126
    TRIAL :  cpu time   3558.7420: real time   3568.6254
    CORREC:  cpu time      0.0123: real time      0.0123
    CHARGE:  cpu time      0.4262: real time      0.4273
    --------------------------------------------
      LOOP:  cpu time   3560.5279: real time   3570.4154

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5640863E-04  (-0.4722243E-04)
 number of electron      12.0000000 magnetization      -0.0000029
 augmentation part       -0.0006838 magnetization       0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.67472347
  -exchange      EXHF   =        26.56845052
  -V(xc)+E(xc)   XCENC  =       -66.86335389
  PAW double counting   =     82610.12602412   -82529.36567390
  entropy T*S    EENTRO =         0.00322157
  eigenvalues    EBANDS =       -53.70618459
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94199881 eV

  energy without entropy =      -10.94522038  energy(sigma->0) =      -10.94307267
  exchange ACFDT corr.  =         0.00065860  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5361: real time      0.5375
    SETDIJ:  cpu time      0.8109: real time      0.8125
    TRIAL :  cpu time   3558.7808: real time   3569.0099
    CORREC:  cpu time      0.0123: real time      0.0123
    CHARGE:  cpu time      0.4278: real time      0.4290
    --------------------------------------------
      LOOP:  cpu time   3560.5682: real time   3570.8015

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4319404E-04  (-0.3374334E-04)
 number of electron      12.0000000 magnetization      -0.0000030
 augmentation part       -0.0007928 magnetization       0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.67793925
  -exchange      EXHF   =        26.56883032
  -V(xc)+E(xc)   XCENC  =       -66.86336741
  PAW double counting   =     82473.10784566   -82392.34753401
  entropy T*S    EENTRO =         0.00321693
  eigenvalues    EBANDS =       -53.70333534
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94204201 eV

  energy without entropy =      -10.94525893  energy(sigma->0) =      -10.94311431
  exchange ACFDT corr.  =         0.00065755  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5362: real time      0.5376
    SETDIJ:  cpu time      0.8109: real time      0.8124
    TRIAL :  cpu time   3565.0490: real time   3575.2174
    CORREC:  cpu time      0.0120: real time      0.0120
    CHARGE:  cpu time      0.4272: real time      0.4284
    --------------------------------------------
      LOOP:  cpu time   3566.8356: real time   3577.0082

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3114689E-04  (-0.2296384E-04)
 number of electron      12.0000000 magnetization      -0.0000030
 augmentation part       -0.0008992 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.68062889
  -exchange      EXHF   =        26.56915135
  -V(xc)+E(xc)   XCENC  =       -66.86337895
  PAW double counting   =     82264.81348231   -82184.05314025
  entropy T*S    EENTRO =         0.00321228
  eigenvalues    EBANDS =       -53.70101210
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94207315 eV

  energy without entropy =      -10.94528544  energy(sigma->0) =      -10.94314391
  exchange ACFDT corr.  =         0.00065622  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5353: real time      0.5366
    SETDIJ:  cpu time      0.8106: real time      0.8121
    TRIAL :  cpu time   3563.9221: real time   3574.0547
    CORREC:  cpu time      0.0122: real time      0.0122
    CHARGE:  cpu time      0.4273: real time      0.4285
    --------------------------------------------
      LOOP:  cpu time   3565.7078: real time   3575.8446

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2140235E-04  (-0.1517879E-04)
 number of electron      12.0000000 magnetization      -0.0000030
 augmentation part       -0.0009890 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.68287560
  -exchange      EXHF   =        26.56942155
  -V(xc)+E(xc)   XCENC  =       -66.86338659
  PAW double counting   =     82056.99955164   -81976.23916437
  entropy T*S    EENTRO =         0.00320779
  eigenvalues    EBANDS =       -53.69908991
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94209455 eV

  energy without entropy =      -10.94530235  energy(sigma->0) =      -10.94316382
  exchange ACFDT corr.  =         0.00065477  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      1(  23)  ---------------------------------------


    POTLOK:  cpu time      0.5361: real time      0.5376
    SETDIJ:  cpu time      0.8106: real time      0.8121
    TRIAL :  cpu time   3559.6478: real time   3569.5542
    CORREC:  cpu time      0.0124: real time      0.0124
    CHARGE:  cpu time      0.4264: real time      0.4276
    --------------------------------------------
      LOOP:  cpu time   3561.4337: real time   3571.3442

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1429885E-04  (-0.9967861E-05)
 number of electron      12.0000000 magnetization      -0.0000029
 augmentation part       -0.0010585 magnetization       0.0000010

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.68477561
  -exchange      EXHF   =        26.56964960
  -V(xc)+E(xc)   XCENC  =       -66.86338894
  PAW double counting   =     81880.92099303   -81800.16063770
  entropy T*S    EENTRO =         0.00320358
  eigenvalues    EBANDS =       -53.69739347
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94210885 eV

  energy without entropy =      -10.94531243  energy(sigma->0) =      -10.94317671
  exchange ACFDT corr.  =         0.00065330  see jH, gK, PRB 81, 115126


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




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


    POTLOK:  cpu time      0.5363: real time      0.5377
    SETDIJ:  cpu time      0.8108: real time      0.8123
    TRIAL :  cpu time   3565.8876: real time   3576.0378
    CORREC:  cpu time      0.0125: real time      0.0125
    EDDIAG:  cpu time   3579.4370: real time   3589.3875
    CHARGE:  cpu time      0.4281: real time      0.4293
    --------------------------------------------
      LOOP:  cpu time   7147.1126: real time   7167.2175

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9495968E-05  (-0.6639768E-05)
 number of electron      12.0000000 magnetization      -0.0000029
 augmentation part       -0.0011093 magnetization       0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.34546599
  Ewald energy   TEWEN  =       890.95919158
  -Hartree energ DENC   =     -1103.68637354
  -exchange      EXHF   =        26.57000899
  -V(xc)+E(xc)   XCENC  =       -66.86338649
  PAW double counting   =     81745.85408704   -81665.09369515
  entropy T*S    EENTRO =         0.00319967
  eigenvalues    EBANDS =       -53.69603394
  atomic energy  EATOM  =       215.35651086
  ---------------------------------------------------
  free energy    TOTEN  =       -10.94211835 eV

  energy without entropy =      -10.94531802  energy(sigma->0) =      -10.94318491
  exchange ACFDT corr.  =         0.00065188  see jH, gK, PRB 81, 115126


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


  average scaling for gradient   2.1514


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -71.9789       2 -71.9375       3 -71.9375       4 -71.9789
 
 
 
 E-fermi :   1.1039     XC(G=0):  -3.7704     alpha+bet : -6.3116

 Fermi energy:         1.1038672902

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9864      1.00000
      2     -11.6044      1.00000
      3      -9.5894      1.00000
      4      -6.7128      1.00000
      5      -3.4378      1.00000
      6       0.5990      1.00092
      7       3.1852     -0.00000
      8       4.3074     -0.00000
      9       5.0325     -0.00000
     10       6.6730      0.00000
     11       6.9230      0.00000
     12       9.7758      0.00000

 k-point     2 :       0.0417   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9344      1.00000
      2     -11.5521      1.00000
      3      -9.5369      1.00000
      4      -6.6592      1.00000
      5      -3.3851      1.00000
      6       0.6507      1.00278
      7       3.2302     -0.00000
      8       4.3507     -0.00000
      9       5.0751     -0.00000
     10       6.7146      0.00000
     11       6.9646      0.00000
     12       9.8173      0.00000

 k-point     3 :       0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9344      1.00000
      2     -11.5521      1.00000
      3      -9.5369      1.00000
      4      -6.6592      1.00000
      5      -3.3851      1.00000
      6       0.6507      1.00278
      7       3.2302     -0.00000
      8       4.3507     -0.00000
      9       5.0751     -0.00000
     10       6.7146      0.00000
     11       6.9646      0.00000
     12       9.8141      0.00000

 k-point     4 :       0.0000    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9344      1.00000
      2     -11.5521      1.00000
      3      -9.5369      1.00000
      4      -6.6592      1.00000
      5      -3.3851      1.00000
      6       0.6507      1.00278
      7       3.2302     -0.00000
      8       4.3507     -0.00000
      9       5.0751     -0.00000
     10       6.7146      0.00000
     11       6.9646      0.00000
     12       9.8145      0.00000

 k-point     5 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.7783      1.00000
      2     -11.3955      1.00000
      3      -9.3793      1.00000
      4      -6.4984      1.00000
      5      -3.2273      1.00000
      6       0.8042      1.02653
      7       3.3643     -0.00000
      8       4.4803     -0.00000
      9       5.2025     -0.00000
     10       6.8383      0.00000
     11       7.0881      0.00000
     12      10.4282      0.00000

 k-point     6 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7783      1.00000
      2     -11.3955      1.00000
      3      -9.3793      1.00000
      4      -6.4984      1.00000
      5      -3.2273      1.00000
      6       0.8042      1.02653
      7       3.3643     -0.00000
      8       4.4803     -0.00000
      9       5.2025     -0.00000
     10       6.8383      0.00000
     11       7.0881      0.00000
     12      10.4281      0.00000

 k-point     7 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7783      1.00000
      2     -11.3955      1.00000
      3      -9.3793      1.00000
      4      -6.4984      1.00000
      5      -3.2273      1.00000
      6       0.8042      1.02653
      7       3.3643     -0.00000
      8       4.4803     -0.00000
      9       5.2025     -0.00000
     10       6.8383      0.00000
     11       7.0881      0.00000
     12      10.4281      0.00000

 k-point     8 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.5180      1.00000
      2     -11.1344      1.00000
      3      -9.1167      1.00000
      4      -6.2308      1.00000
      5      -2.9649      1.00000
      6       1.0548      0.72005
      7       3.5849     -0.00000
      8       4.6948     -0.00000
      9       5.4121     -0.00000
     10       7.0367      0.00000
     11       7.2849      0.00000
     12       9.2016      0.00000

 k-point     9 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5180      1.00000
      2     -11.1344      1.00000
      3      -9.1167      1.00000
      4      -6.2308      1.00000
      5      -2.9649      1.00000
      6       1.0548      0.72005
      7       3.5849     -0.00000
      8       4.6948     -0.00000
      9       5.4121     -0.00000
     10       7.0367      0.00000
     11       7.2849      0.00000
     12       9.2021      0.00000

 k-point    10 :       0.0000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5180      1.00000
      2     -11.1344      1.00000
      3      -9.1167      1.00000
      4      -6.2308      1.00000
      5      -2.9649      1.00000
      6       1.0548      0.72005
      7       3.5849     -0.00000
      8       4.6948     -0.00000
      9       5.4121     -0.00000
     10       7.0367      0.00000
     11       7.2849      0.00000
     12       9.2016      0.00000

 k-point    11 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.1536      1.00000
      2     -10.7687      1.00000
      3      -8.7491      1.00000
      4      -5.8568      1.00000
      5      -2.5989      1.00000
      6       1.3951     -0.03055
      7       3.8853     -0.00000
      8       4.9884     -0.00000
      9       5.6923     -0.00000
     10       7.1274      0.00000
     11       7.4668      0.00000
     12       7.8893      0.00000

 k-point    12 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1536      1.00000
      2     -10.7687      1.00000
      3      -8.7491      1.00000
      4      -5.8568      1.00000
      5      -2.5989      1.00000
      6       1.3951     -0.03055
      7       3.8853     -0.00000
      8       4.9884     -0.00000
      9       5.6923     -0.00000
     10       7.1274      0.00000
     11       7.4667      0.00000
     12       7.8884      0.00000

 k-point    13 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1536      1.00000
      2     -10.7687      1.00000
      3      -8.7491      1.00000
      4      -5.8568      1.00000
      5      -2.5989      1.00000
      6       1.3951     -0.03055
      7       3.8853     -0.00000
      8       4.9884     -0.00000
      9       5.6923     -0.00000
     10       7.1274      0.00000
     11       7.4668      0.00000
     12       7.8567      0.00000

 k-point    14 :       0.2083    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6849      1.00000
      2     -10.2983      1.00000
      3      -8.2762      1.00000
      4      -5.3771      1.00000
      5      -2.1309      1.00000
      6       1.8107     -0.00000
      7       4.2273     -0.00000
      8       5.2649     -0.00000
      9       5.7010     -0.00000
     10       6.2343     -0.00000
     11       6.8015      0.00000
     12       8.3326      0.00000

 k-point    15 :       0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6849      1.00000
      2     -10.2983      1.00000
      3      -8.2762      1.00000
      4      -5.3771      1.00000
      5      -2.1309      1.00000
      6       1.8107     -0.00000
      7       4.2273     -0.00000
      8       5.2649     -0.00000
      9       5.7010     -0.00000
     10       6.2343     -0.00000
     11       6.8015      0.00000
     12       8.3326      0.00000

 k-point    16 :       0.0000    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6849      1.00000
      2     -10.2983      1.00000
      3      -8.2762      1.00000
      4      -5.3771      1.00000
      5      -2.1309      1.00000
      6       1.8107     -0.00000
      7       4.2273     -0.00000
      8       5.2649     -0.00000
      9       5.7010     -0.00000
     10       6.2343     -0.00000
     11       6.8015      0.00000
     12       8.3326      0.00000

 k-point    17 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.1118      1.00000
      2      -9.7229      1.00000
      3      -7.6981      1.00000
      4      -4.7927      1.00000
      5      -1.5657      1.00000
      6       2.2421     -0.00000
      7       3.8179     -0.00000
      8       4.9051     -0.00000
      9       5.1596     -0.00000
     10       5.9029     -0.00000
     11       6.7521      0.00000
     12       8.3341      0.00000

 k-point    18 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1118      1.00000
      2      -9.7229      1.00000
      3      -7.6981      1.00000
      4      -4.7927      1.00000
      5      -1.5657      1.00000
      6       2.2421     -0.00000
      7       3.8179     -0.00000
      8       4.9051     -0.00000
      9       5.1596     -0.00000
     10       5.9029     -0.00000
     11       6.7001      0.00000
     12       7.0554      0.00000

 k-point    19 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1118      1.00000
      2      -9.7229      1.00000
      3      -7.6981      1.00000
      4      -4.7927      1.00000
      5      -1.5657      1.00000
      6       2.2421     -0.00000
      7       3.8179     -0.00000
      8       4.9051     -0.00000
      9       5.1596     -0.00000
     10       5.9029     -0.00000
     11       6.7518      0.00000
     12       8.2817      0.00000

 k-point    20 :       0.2917    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.4337      1.00000
      2      -9.0422      1.00000
      3      -7.0148      1.00000
      4      -4.1069      1.00000
      5      -0.9191      1.00000
      6       1.9117     -0.00000
      7       3.0610     -0.00000
      8       3.6566     -0.00000
      9       5.1474     -0.00000
     10       5.5762     -0.00000
     11       6.6268      0.00000
     12       8.9128      0.00000

 k-point    21 :       0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4337      1.00000
      2      -9.0422      1.00000
      3      -7.0148      1.00000
      4      -4.1069      1.00000
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      8       3.6566     -0.00000
      9       5.1474     -0.00000
     10       5.5762     -0.00000
     11       6.6283      0.00000
     12       9.0081      0.00000

 k-point    22 :       0.0000    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4337      1.00000
      2      -9.0422      1.00000
      3      -7.0148      1.00000
      4      -4.1069      1.00000
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     10       5.5762     -0.00000
     11       6.6276      0.00000
     12       8.9620      0.00000

 k-point    23 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.6503      1.00000
      2      -8.2557      1.00000
      3      -6.2270      1.00000
      4      -3.3294      1.00000
      5      -0.3402      1.00000
      6       0.5986      1.00098
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      9       3.8723     -0.00000
     10       6.0550     -0.00000
     11       6.3663     -0.00000
     12       8.7792      0.00000

 k-point    24 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6503      1.00000
      2      -8.2557      1.00000
      3      -6.2270      1.00000
      4      -3.3294      1.00000
      5      -0.3402      1.00000
      6       0.5986      1.00098
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      9       3.8723     -0.00000
     10       6.0550     -0.00000
     11       6.3663     -0.00000
     12       8.7789      0.00000

 k-point    25 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6503      1.00000
      2      -8.2557      1.00000
      3      -6.2270      1.00000
      4      -3.3294      1.00000
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      6       0.5986      1.00098
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      9       3.8723     -0.00000
     10       6.0550     -0.00000
     11       6.3663     -0.00000
     12       8.7684      0.00000

 k-point    26 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7610      1.00000
      2      -7.3635      1.00000
      3      -5.3375      1.00000
      4      -2.5123      1.00000
      5      -1.2213      1.00000
      6       0.2007      1.00000
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      8       2.2584     -0.00000
      9       4.4739     -0.00000
     10       5.0197     -0.00000
     11       6.7595      0.00000
     12       8.4885      0.00000

 k-point    27 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7610      1.00000
      2      -7.3635      1.00000
      3      -5.3375      1.00000
      4      -2.5123      1.00000
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      6       0.2007      1.00000
      7       1.0198      0.83313
      8       2.2584     -0.00000
      9       4.4739     -0.00000
     10       5.0197     -0.00000
     11       6.7595      0.00000
     12       8.4887      0.00000

 k-point    28 :       0.0000    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7610      1.00000
      2      -7.3635      1.00000
      3      -5.3375      1.00000
      4      -2.5123      1.00000
      5      -1.2213      1.00000
      6       0.2007      1.00000
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      8       2.2584     -0.00000
      9       4.4739     -0.00000
     10       5.0197     -0.00000
     11       6.7595      0.00000
     12       8.4759      0.00000

 k-point    29 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.7652      1.00000
      2      -6.3664      1.00000
      3      -4.3566      1.00000
      4      -2.7984      1.00000
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      6      -0.8264      1.00000
      7       0.8252      1.03175
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      9       3.5636     -0.00000
     10       5.3865     -0.00000
     11       6.3526     -0.00000
     12       8.2824      0.00000

 k-point    30 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7652      1.00000
      2      -6.3664      1.00000
      3      -4.3566      1.00000
      4      -2.7984      1.00000
      5      -1.7556      1.00000
      6      -0.8264      1.00000
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      8       1.8520     -0.00000
      9       3.5636     -0.00000
     10       5.3865     -0.00000
     11       6.3526     -0.00000
     12       8.2824      0.00000

 k-point    31 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7652      1.00000
      2      -6.3664      1.00000
      3      -4.3566      1.00000
      4      -2.7984      1.00000
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      6      -0.8264      1.00000
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      8       1.8520     -0.00000
      9       3.5636     -0.00000
     10       5.3865     -0.00000
     11       6.3526     -0.00000
     12       8.2824      0.00000

 k-point    32 :       0.4583    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.6634      1.00000
      2      -5.2690      1.00000
      3      -4.1554      1.00000
      4      -3.3870      1.00000
      5      -2.6516      1.00000
      6      -0.7213      1.00000
      7       0.0380      1.00000
      8       2.2737     -0.00000
      9       2.8484     -0.00000
     10       5.1291     -0.00000
     11       6.2846     -0.00000
     12       8.1569      0.00000

 k-point    33 :       0.4583    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6634      1.00000
      2      -5.2690      1.00000
      3      -4.1554      1.00000
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     10       5.1291     -0.00000
     11       6.2846     -0.00000
     12       8.1569      0.00000

 k-point    34 :       0.0000    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6634      1.00000
      2      -5.2690      1.00000
      3      -4.1554      1.00000
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     10       5.1291     -0.00000
     11       6.2846     -0.00000
     12       8.1569      0.00000

 k-point    35 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4803      1.00000
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      3      -4.1240      1.00000
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      7       0.8674      1.03514
      8       1.2325      0.06638
      9       3.7298     -0.00000
     10       4.1816     -0.00000
     11       6.9960      0.00000
     12       8.1049      0.00000

 k-point    36 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4803      1.00000
      2      -5.4343      1.00000
      3      -4.1240      1.00000
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      7       0.8674      1.03515
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      9       3.7298     -0.00000
     10       4.1816     -0.00000
     11       6.9960      0.00000
     12       8.1111      0.00000

 k-point    37 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4803      1.00000
      2      -5.4343      1.00000
      3      -4.1240      1.00000
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      9       3.7298     -0.00000
     10       4.1816     -0.00000
     11       6.9960      0.00000
     12       8.1052      0.00000

 k-point    38 :       0.0833    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8303      1.00000
      2     -11.4477      1.00000
      3      -9.4318      1.00000
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      6       0.7533      1.01523
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     10       6.7973      0.00000
     11       7.0472      0.00000
     12      10.6485      0.00000

 k-point    39 :       0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.8303      1.00000
      2     -11.4477      1.00000
      3      -9.4318      1.00000
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     10       6.7973      0.00000
     11       7.0472      0.00000
     12      10.5420      0.00000

 k-point    40 :      -0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8303      1.00000
      2     -11.4477      1.00000
      3      -9.4318      1.00000
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     10       6.7973      0.00000
     11       7.0472      0.00000
     12      10.6067      0.00000

 k-point    41 :       0.1250    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
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     10       6.9597      0.00000
     11       7.2087      0.00000
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 k-point    42 :       0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
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     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9599      0.00000

 k-point    43 :      -0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
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     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9599      0.00000

 k-point    44 :       0.0833   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
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     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9599      0.00000

 k-point    45 :      -0.0417   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
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      5      -3.0698      1.00000
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     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9599      0.00000

 k-point    46 :      -0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3378      1.00000
      5      -3.0698      1.00000
      6       0.9554      0.98154
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     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9599      0.00000

 k-point    47 :       0.1667    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03641
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1777      0.00000
     11       7.4233      0.00000
     12       8.7246      0.00000

 k-point    48 :       0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03641
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      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1777      0.00000
     11       7.4233      0.00000
     12       8.7209      0.00000

 k-point    49 :      -0.0417    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03641
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1777      0.00000
     11       7.4233      0.00000
     12       8.7219      0.00000

 k-point    50 :       0.1250   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03641
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1777      0.00000
     11       7.4233      0.00000
     12       8.7274      0.00000

 k-point    51 :      -0.0417   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03641
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1777      0.00000
     11       7.4233      0.00000
     12       8.7357      0.00000

 k-point    52 :      -0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03641
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1777      0.00000
     11       7.4233      0.00000
     12       8.7218      0.00000

 k-point    53 :       0.2083    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6385      0.00000

 k-point    54 :       0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6388      0.00000

 k-point    55 :      -0.0417    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6381      0.00000

 k-point    56 :       0.1667   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6374      0.00000

 k-point    57 :      -0.0417   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6383      0.00000

 k-point    58 :      -0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6683      0.00000

 k-point    59 :       0.2500    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9845      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
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      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4019     -0.00000
     12       7.8354      0.00000

 k-point    60 :       0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9845      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4019     -0.00000
     12       7.8354      0.00000

 k-point    61 :      -0.0417    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9845      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4019     -0.00000
     12       7.8354      0.00000

 k-point    62 :       0.2083   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9845      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4019     -0.00000
     12       7.8354      0.00000

 k-point    63 :      -0.0417   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9845      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4019     -0.00000
     12       7.8354      0.00000

 k-point    64 :      -0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9845      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4019     -0.00000
     12       7.8354      0.00000

 k-point    65 :       0.2917    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3465     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1437     -0.00000
     11       6.1879     -0.00000
     12       7.8060      0.00000

 k-point    66 :       0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3465     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1437     -0.00000
     11       6.1879     -0.00000
     12       7.8076      0.00000

 k-point    67 :      -0.0417    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3465     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1437     -0.00000
     11       6.1879     -0.00000
     12       7.8064      0.00000

 k-point    68 :       0.2500   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3465     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1437     -0.00000
     11       6.1879     -0.00000
     12       7.8078      0.00000

 k-point    69 :      -0.0417   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3465     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1437     -0.00000
     11       6.1879     -0.00000
     12       7.8074      0.00000

 k-point    70 :      -0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3465     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1437     -0.00000
     11       6.1879     -0.00000
     12       7.8071      0.00000

 k-point    71 :       0.3333    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.9866      0.00000
     12       7.0135      0.00000

 k-point    72 :       0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00307
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.9866      0.00000
     12       7.0135      0.00000

 k-point    73 :      -0.0417    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00307
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.9866      0.00000
     12       7.0135      0.00000

 k-point    74 :       0.2917   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.9866      0.00000
     12       7.0135      0.00000

 k-point    75 :      -0.0417   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.9866      0.00000
     12       7.0135      0.00000

 k-point    76 :      -0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00307
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.9866      0.00000
     12       7.0135      0.00000

 k-point    77 :       0.3750    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05248
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    78 :       0.3333    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05248
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    79 :      -0.0417    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05248
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    80 :       0.3333   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05248
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    81 :      -0.0417   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05248
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    82 :      -0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05248
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    83 :       0.4167    0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3524     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    84 :       0.3750    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    85 :      -0.0417    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    86 :       0.3750   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3524     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    87 :      -0.0417   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    88 :      -0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    89 :       0.4583    0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    90 :       0.4167    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    91 :      -0.0417    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    92 :       0.4167   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    93 :      -0.0417   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    94 :      -0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    95 :       0.5000    0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0341      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5983      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    96 :       0.4583    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0341      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5983      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    97 :      -0.0417    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0341      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5983      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    98 :       0.4583   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0341      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5983      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    99 :      -0.0417    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0341      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5983      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point   100 :       0.5000   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0341      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5983      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point   101 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3619      1.00000
      2     -10.9777      1.00000
      3      -8.9592      1.00000
      4      -6.0705      1.00000
      5      -2.8078      1.00000
      6       1.2025      0.14794
      7       3.7158     -0.00000
      8       4.8226     -0.00000
      9       5.5367     -0.00000
     10       7.1543      0.00000
     11       7.3968      0.00000
     12       9.3063      0.00000

 k-point   102 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3619      1.00000
      2     -10.9777      1.00000
      3      -8.9592      1.00000
      4      -6.0705      1.00000
      5      -2.8078      1.00000
      6       1.2025      0.14794
      7       3.7158     -0.00000
      8       4.8226     -0.00000
      9       5.5367     -0.00000
     10       7.1540      0.00000
     11       7.3973      0.00000
     12       9.3061      0.00000

 k-point   103 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3619      1.00000
      2     -10.9777      1.00000
      3      -8.9592      1.00000
      4      -6.0705      1.00000
      5      -2.8078      1.00000
      6       1.2025      0.14794
      7       3.7158     -0.00000
      8       4.8226     -0.00000
      9       5.5367     -0.00000
     10       7.1539      0.00000
     11       7.3972      0.00000
     12       9.3061      0.00000

 k-point   104 :       0.2083    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2785      0.00000
     11       7.5331      0.00000
     12       8.2548      0.00000

 k-point   105 :       0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2785      0.00000
     11       7.5331      0.00000
     12       8.2549      0.00000

 k-point   106 :      -0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2785      0.00000
     11       7.5331      0.00000
     12       8.2549      0.00000

 k-point   107 :       0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2785      0.00000
     11       7.5331      0.00000
     12       8.2549      0.00000

 k-point   108 :      -0.0833   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2785      0.00000
     11       7.5331      0.00000
     12       8.2549      0.00000

 k-point   109 :      -0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2785      0.00000
     11       7.5331      0.00000
     12       8.2549      0.00000

 k-point   110 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3490     -0.00000
     11       6.9166      0.00000
     12       8.1047      0.00000

 k-point   111 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3490     -0.00000
     11       6.9166      0.00000
     12       8.1046      0.00000

 k-point   112 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3490     -0.00000
     11       6.9166      0.00000
     12       8.1046      0.00000

 k-point   113 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3490     -0.00000
     11       6.9166      0.00000
     12       8.1045      0.00000

 k-point   114 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3490     -0.00000
     11       6.9166      0.00000
     12       8.1046      0.00000

 k-point   115 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3490     -0.00000
     11       6.9166      0.00000
     12       8.1046      0.00000

 k-point   116 :       0.2917    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0103     -0.00000
     11       6.8603      0.00000
     12       7.3500      0.00000

 k-point   117 :       0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0103     -0.00000
     11       6.8604      0.00000
     12       7.3524      0.00000

 k-point   118 :      -0.0833    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0103     -0.00000
     11       6.8604      0.00000
     12       7.3518      0.00000

 k-point   119 :       0.2083   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0103     -0.00000
     11       6.8604      0.00000
     12       7.3520      0.00000

 k-point   120 :      -0.0833   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0103     -0.00000
     11       6.8604      0.00000
     12       7.3519      0.00000

 k-point   121 :      -0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0103     -0.00000
     11       6.8604      0.00000
     12       7.3519      0.00000

 k-point   122 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5523      0.00000
     12       7.4945      0.00000

 k-point   123 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5523      0.00000
     12       7.4943      0.00000

 k-point   124 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5522      0.00000
     12       7.4939      0.00000

 k-point   125 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5523      0.00000
     12       7.4943      0.00000

 k-point   126 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5523      0.00000
     12       7.4945      0.00000

 k-point   127 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5523      0.00000
     12       7.4945      0.00000

 k-point   128 :       0.3750    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8128     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   129 :       0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8128     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   130 :      -0.0833    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8128     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   131 :       0.2917   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8128     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   132 :      -0.0833   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8128     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   133 :      -0.3750   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8128     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   134 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2061      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27293
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3428      0.00000

 k-point   135 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2061      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27295
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3425      0.00000

 k-point   136 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2061      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27294
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3425      0.00000

 k-point   137 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2061      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27293
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3423      0.00000

 k-point   138 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2061      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27294
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3424      0.00000

 k-point   139 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2061      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27295
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3427      0.00000

 k-point   140 :       0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6446      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   141 :       0.3750    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   142 :      -0.0833    0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   143 :       0.3750   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6446      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95406
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   144 :      -0.0833   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6446      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   145 :      -0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   146 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   147 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   148 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   149 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   150 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   151 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   152 :      -0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -5.3242      1.00000
      2      -5.2764      1.00000
      3      -3.9659      1.00000
      4      -3.9024      1.00000
      5      -2.2253      1.00000
      6      -1.3631      1.00000
      7       1.0048      0.86678
      8       1.3616     -0.03507
      9       3.8194     -0.00000
     10       4.3089     -0.00000
     11       5.5731     -0.00000
     12       6.7365      0.00000

 k-point   153 :       0.4583   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3242      1.00000
      2      -5.2764      1.00000
      3      -3.9659      1.00000
      4      -3.9024      1.00000
      5      -2.2253      1.00000
      6      -1.3631      1.00000
      7       1.0048      0.86683
      8       1.3616     -0.03507
      9       3.8194     -0.00000
     10       4.3089     -0.00000
     11       5.5731     -0.00000
     12       6.7365      0.00000

 k-point   154 :      -0.0833    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3242      1.00000
      2      -5.2764      1.00000
      3      -3.9659      1.00000
      4      -3.9024      1.00000
      5      -2.2253      1.00000
      6      -1.3631      1.00000
      7       1.0048      0.86680
      8       1.3616     -0.03507
      9       3.8194     -0.00000
     10       4.3089     -0.00000
     11       5.5731     -0.00000
     12       6.7365      0.00000

 k-point   155 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5808      1.00000
      2     -10.1938      1.00000
      3      -8.1711      1.00000
      4      -5.2706      1.00000
      5      -2.0269      1.00000
      6       1.9071     -0.00000
      7       4.3316     -0.00000
      8       5.4249     -0.00000
      9       6.0566     -0.00000
     10       6.8418      0.00000
     11       7.4437      0.00000
     12       7.8715      0.00000

 k-point   156 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5808      1.00000
      2     -10.1938      1.00000
      3      -8.1711      1.00000
      4      -5.2706      1.00000
      5      -2.0269      1.00000
      6       1.9071     -0.00000
      7       4.3316     -0.00000
      8       5.4249     -0.00000
      9       6.0566     -0.00000
     10       6.8418      0.00000
     11       7.4437      0.00000
     12       7.8715      0.00000

 k-point   157 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5808      1.00000
      2     -10.1938      1.00000
      3      -8.1711      1.00000
      4      -5.2706      1.00000
      5      -2.0269      1.00000
      6       1.9071     -0.00000
      7       4.3316     -0.00000
      8       5.4249     -0.00000
      9       6.0566     -0.00000
     10       6.8418      0.00000
     11       7.4437      0.00000
     12       7.8715      0.00000

 k-point   158 :       0.2917    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2185     -0.00000
      9       5.8263     -0.00000
     10       6.2629     -0.00000
     11       6.3342     -0.00000
     12       7.1870      0.00000

 k-point   159 :       0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2185     -0.00000
      9       5.8263     -0.00000
     10       6.2629     -0.00000
     11       6.3341     -0.00000
     12       7.1870      0.00000

 k-point   160 :      -0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2185     -0.00000
      9       5.8263     -0.00000
     10       6.2629     -0.00000
     11       6.3342     -0.00000
     12       7.1870      0.00000

 k-point   161 :       0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2185     -0.00000
      9       5.8263     -0.00000
     10       6.2629     -0.00000
     11       6.3341     -0.00000
     12       7.1870      0.00000

 k-point   162 :      -0.1250   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2185     -0.00000
      9       5.8263     -0.00000
     10       6.2629     -0.00000
     11       6.3341     -0.00000
     12       7.1870      0.00000

 k-point   163 :      -0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2185     -0.00000
      9       5.8263     -0.00000
     10       6.2629     -0.00000
     11       6.3341     -0.00000
     12       7.1870      0.00000

 k-point   164 :       0.3333    0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6144     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9279      0.00000

 k-point   165 :       0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6144     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9279      0.00000

 k-point   166 :      -0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6144     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9279      0.00000

 k-point   167 :       0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6144     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9279      0.00000

 k-point   168 :      -0.1250   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6144     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9279      0.00000

 k-point   169 :      -0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6144     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9279      0.00000

 k-point   170 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   171 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   172 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   173 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   174 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   175 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   176 :       0.4167    0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   177 :       0.2917    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   178 :      -0.1250    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   179 :       0.2917   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   180 :      -0.1250   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   181 :      -0.4167   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   182 :       0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   183 :       0.3333    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   184 :      -0.1250    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   185 :       0.3333   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   186 :      -0.1250   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   187 :      -0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   188 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   189 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   190 :      -0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   191 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   192 :      -0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   193 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   194 :      -0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   195 :       0.4167   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   196 :      -0.1250    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   197 :       0.4167   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   198 :      -0.1250    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   199 :       0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   200 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4860      1.00000
      2      -9.0947      1.00000
      3      -7.0674      1.00000
      4      -4.1582      1.00000
      5      -0.9547      1.00000
      6       2.7214     -0.00000
      7       4.1482     -0.00000
      8       4.5883     -0.00000
      9       5.4975     -0.00000
     10       5.6142     -0.00000
     11       5.7341     -0.00000
     12       7.0930      0.00000

 k-point   201 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4860      1.00000
      2      -9.0947      1.00000
      3      -7.0674      1.00000
      4      -4.1582      1.00000
      5      -0.9547      1.00000
      6       2.7214     -0.00000
      7       4.1482     -0.00000
      8       4.5883     -0.00000
      9       5.4975     -0.00000
     10       5.6142     -0.00000
     11       5.7341     -0.00000
     12       7.0930      0.00000

 k-point   202 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4860      1.00000
      2      -9.0947      1.00000
      3      -7.0674      1.00000
      4      -4.1582      1.00000
      5      -0.9547      1.00000
      6       2.7214     -0.00000
      7       4.1482     -0.00000
      8       4.5883     -0.00000
      9       5.4975     -0.00000
     10       5.6142     -0.00000
     11       5.7341     -0.00000
     12       7.0929      0.00000

 k-point   203 :       0.3750    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   204 :       0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   205 :      -0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   206 :       0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   207 :      -0.1667   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   208 :      -0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   209 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19184
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   210 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19186
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   211 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19185
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   212 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19184
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   213 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19185
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   214 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19186
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   215 :       0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   216 :       0.2917    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   217 :      -0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   218 :       0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   219 :      -0.1667   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   220 :      -0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   221 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1838      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1027     -0.00000

 k-point   222 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1027     -0.00000

 k-point   223 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1838      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1028     -0.00000

 k-point   224 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1838      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1026     -0.00000

 k-point   225 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1838      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1026     -0.00000

 k-point   226 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1026     -0.00000

 k-point   227 :      -0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9873     -0.00000

 k-point   228 :       0.3750   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9857     -0.00000

 k-point   229 :      -0.1667    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9816     -0.00000

 k-point   230 :       0.3750   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9939     -0.00000

 k-point   231 :      -0.1667    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9970     -0.00000

 k-point   232 :       0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9966     -0.00000

 k-point   233 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.8559      1.00000
      2      -4.8032      1.00000
      3      -3.4929      1.00000
      4      -3.4443      1.00000
      5      -1.7774      1.00000
      6      -0.9009      1.00000
      7       1.3532     -0.03540
      8       1.5726     -0.00241
      9       2.7425     -0.00000
     10       4.0476     -0.00000
     11       4.4453     -0.00000
     12       4.9093     -0.00000

 k-point   234 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8559      1.00000
      2      -4.8032      1.00000
      3      -3.4929      1.00000
      4      -3.4443      1.00000
      5      -1.7774      1.00000
      6      -0.9009      1.00000
      7       1.3532     -0.03540
      8       1.5726     -0.00241
      9       2.7425     -0.00000
     10       4.0476     -0.00000
     11       4.4453     -0.00000
     12       4.9093     -0.00000

 k-point   235 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8559      1.00000
      2      -4.8032      1.00000
      3      -3.4929      1.00000
      4      -3.4443      1.00000
      5      -1.7774      1.00000
      6      -0.9009      1.00000
      7       1.3532     -0.03540
      8       1.5726     -0.00241
      9       2.7425     -0.00000
     10       4.0476     -0.00000
     11       4.4453     -0.00000
     12       4.9093     -0.00000

 k-point   236 :       0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0755      1.00000
      2      -7.6789      1.00000
      3      -5.6498      1.00000
      4      -2.7572      1.00000
      5       0.2960      1.00000
      6       2.0482     -0.00000
      7       2.2499     -0.00000
      8       3.4181     -0.00000
      9       3.5060     -0.00000
     10       4.5386     -0.00000
     11       5.1893     -0.00000
     12       5.7358     -0.00000

 k-point   237 :       0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0755      1.00000
      2      -7.6789      1.00000
      3      -5.6498      1.00000
      4      -2.7572      1.00000
      5       0.2960      1.00000
      6       2.0482     -0.00000
      7       2.2499     -0.00000
      8       3.4181     -0.00000
      9       3.5060     -0.00000
     10       4.5386     -0.00000
     11       5.1893     -0.00000
     12       5.7358     -0.00000

 k-point   238 :      -0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0755      1.00000
      2      -7.6789      1.00000
      3      -5.6498      1.00000
      4      -2.7572      1.00000
      5       0.2960      1.00000
      6       2.0482     -0.00000
      7       2.2499     -0.00000
      8       3.4181     -0.00000
      9       3.5060     -0.00000
     10       4.5386     -0.00000
     11       5.1893     -0.00000
     12       5.7358     -0.00000

 k-point   239 :       0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27287
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   240 :       0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27289
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   241 :      -0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27288
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   242 :       0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27287
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   243 :      -0.2083   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27287
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   244 :      -0.4583   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27289
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   245 :       0.5000    0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   246 :       0.2917    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   247 :      -0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   248 :       0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   249 :      -0.2083    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   250 :       0.5000   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   251 :      -0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97427
      8       1.2761     -0.00316
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   252 :       0.3333   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8854      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97428
      8       1.2761     -0.00316
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   253 :      -0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8854      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97427
      8       1.2761     -0.00316
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   254 :       0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97426
      8       1.2761     -0.00316
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   255 :      -0.2083    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8854      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97427
      8       1.2761     -0.00316
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   256 :       0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8854      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97428
      8       1.2761     -0.00316
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   257 :      -0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   258 :       0.3750   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   259 :      -0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   260 :       0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   261 :      -0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   262 :       0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   263 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3466      1.00000
      2      -5.9470      1.00000
      3      -3.9326      1.00000
      4      -1.2124      1.00000
      5      -0.0253      1.00000
      6       0.2815      1.00000
      7       1.4196     -0.02434
      8       1.7023     -0.00010
      9       2.4838     -0.00000
     10       3.2415     -0.00000
     11       4.0686     -0.00000
     12       5.7832     -0.00000

 k-point   264 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3466      1.00000
      2      -5.9470      1.00000
      3      -3.9326      1.00000
      4      -1.2124      1.00000
      5      -0.0253      1.00000
      6       0.2815      1.00000
      7       1.4196     -0.02434
      8       1.7023     -0.00010
      9       2.4838     -0.00000
     10       3.2415     -0.00000
     11       4.0686     -0.00000
     12       5.7832     -0.00000

 k-point   265 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3466      1.00000
      2      -5.9470      1.00000
      3      -3.9326      1.00000
      4      -1.2124      1.00000
      5      -0.0253      1.00000
      6       0.2815      1.00000
      7       1.4196     -0.02433
      8       1.7023     -0.00010
      9       2.4838     -0.00000
     10       3.2415     -0.00000
     11       4.0686     -0.00000
     12       5.7832     -0.00000

 k-point   266 :      -0.4583    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   267 :       0.2917   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   268 :      -0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   269 :       0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   270 :      -0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   271 :       0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   272 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   273 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   274 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   275 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   276 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   277 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   278 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1      -4.0765      1.00000
      2      -4.0167      1.00000
      3      -2.7106      1.00000
      4      -2.6857      1.00000
      5      -1.0625      1.00000
      6      -0.3887      1.00000
      7      -0.1822      1.00000
      8       0.8286      1.03234
      9       2.5579     -0.00000
     10       2.7149     -0.00000
     11       3.4825     -0.00000
     12       5.0810     -0.00000

 k-point   279 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0765      1.00000
      2      -4.0167      1.00000
      3      -2.7106      1.00000
      4      -2.6857      1.00000
      5      -1.0625      1.00000
      6      -0.3887      1.00000
      7      -0.1822      1.00000
      8       0.8286      1.03234
      9       2.5579     -0.00000
     10       2.7149     -0.00000
     11       3.4825     -0.00000
     12       5.0810     -0.00000

 k-point   280 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0765      1.00000
      2      -4.0167      1.00000
      3      -2.7106      1.00000
      4      -2.6857      1.00000
      5      -1.0625      1.00000
      6      -0.3887      1.00000
      7      -0.1822      1.00000
      8       0.8286      1.03234
      9       2.5579     -0.00000
     10       2.7149     -0.00000
     11       3.4825     -0.00000
     12       5.0811     -0.00000

 k-point   281 :      -0.4167    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3006      1.00000
      2      -3.9129      1.00000
      3      -2.0059      1.00000
      4      -1.6108      1.00000
      5      -1.5616      1.00000
      6      -0.4360      1.00000
      7      -0.0825      1.00000
      8       0.9964      0.89086
      9       2.0668     -0.00000
     10       2.5313     -0.00000
     11       4.1730     -0.00000
     12       4.7669     -0.00000

 k-point   282 :       0.2917   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.3006      1.00000
      2      -3.9129      1.00000
      3      -2.0059      1.00000
      4      -1.6108      1.00000
      5      -1.5616      1.00000
      6      -0.4360      1.00000
      7      -0.0825      1.00000
      8       0.9964      0.89086
      9       2.0668     -0.00000
     10       2.5313     -0.00000
     11       4.1730     -0.00000
     12       4.7478     -0.00000

 k-point   283 :      -0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3006      1.00000
      2      -3.9129      1.00000
      3      -2.0059      1.00000
      4      -1.6108      1.00000
      5      -1.5616      1.00000
      6      -0.4360      1.00000
      7      -0.0825      1.00000
      8       0.9964      0.89087
      9       2.0668     -0.00000
     10       2.5313     -0.00000
     11       4.1730     -0.00000
     12       4.9322     -0.00000

 k-point   284 :      -0.3750    0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   285 :       0.3333   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   286 :      -0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   287 :       0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   288 :      -0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   289 :       0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   290 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0215      1.00000
      2      -2.9247      1.00000
      3      -2.9247      1.00000
      4      -1.6680      1.00000
      5      -1.6680      1.00000
      6      -1.6253      1.00000
      7       0.1143      1.00000
      8       0.1143      1.00000
      9       1.5726     -0.00231
     10       3.3786     -0.00000
     11       3.7576     -0.00000
     12       3.7576     -0.00000
 Fermi energy:         1.1038672902

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9864      1.00000
      2     -11.6044      1.00000
      3      -9.5894      1.00000
      4      -6.7128      1.00000
      5      -3.4378      1.00000
      6       0.5990      1.00092
      7       3.1852     -0.00000
      8       4.3074     -0.00000
      9       5.0325     -0.00000
     10       6.6730      0.00000
     11       6.9230      0.00000
     12       9.7734      0.00000

 k-point     2 :       0.0417   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.9344      1.00000
      2     -11.5522      1.00000
      3      -9.5369      1.00000
      4      -6.6592      1.00000
      5      -3.3851      1.00000
      6       0.6507      1.00278
      7       3.2302     -0.00000
      8       4.3507     -0.00000
      9       5.0751     -0.00000
     10       6.7146      0.00000
     11       6.9646      0.00000
     12       9.8077      0.00000

 k-point     3 :       0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9344      1.00000
      2     -11.5522      1.00000
      3      -9.5369      1.00000
      4      -6.6592      1.00000
      5      -3.3851      1.00000
      6       0.6507      1.00278
      7       3.2302     -0.00000
      8       4.3507     -0.00000
      9       5.0751     -0.00000
     10       6.7146      0.00000
     11       6.9646      0.00000
     12       9.8083      0.00000

 k-point     4 :       0.0000    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.9344      1.00000
      2     -11.5522      1.00000
      3      -9.5369      1.00000
      4      -6.6592      1.00000
      5      -3.3851      1.00000
      6       0.6507      1.00278
      7       3.2302     -0.00000
      8       4.3507     -0.00000
      9       5.0751     -0.00000
     10       6.7146      0.00000
     11       6.9646      0.00000
     12       9.8075      0.00000

 k-point     5 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.7783      1.00000
      2     -11.3955      1.00000
      3      -9.3793      1.00000
      4      -6.4984      1.00000
      5      -3.2273      1.00000
      6       0.8042      1.02652
      7       3.3643     -0.00000
      8       4.4803     -0.00000
      9       5.2024     -0.00000
     10       6.8383      0.00000
     11       7.0881      0.00000
     12      10.3922      0.00000

 k-point     6 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7783      1.00000
      2     -11.3955      1.00000
      3      -9.3793      1.00000
      4      -6.4984      1.00000
      5      -3.2273      1.00000
      6       0.8042      1.02652
      7       3.3643     -0.00000
      8       4.4803     -0.00000
      9       5.2024     -0.00000
     10       6.8383      0.00000
     11       7.0881      0.00000
     12      10.3922      0.00000

 k-point     7 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.7783      1.00000
      2     -11.3955      1.00000
      3      -9.3793      1.00000
      4      -6.4984      1.00000
      5      -3.2273      1.00000
      6       0.8042      1.02652
      7       3.3643     -0.00000
      8       4.4803     -0.00000
      9       5.2024     -0.00000
     10       6.8383      0.00000
     11       7.0881      0.00000
     12      10.3922      0.00000

 k-point     8 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.5180      1.00000
      2     -11.1344      1.00000
      3      -9.1167      1.00000
      4      -6.2309      1.00000
      5      -2.9649      1.00000
      6       1.0548      0.72020
      7       3.5849     -0.00000
      8       4.6948     -0.00000
      9       5.4121     -0.00000
     10       7.0366      0.00000
     11       7.2849      0.00000
     12       9.2006      0.00000

 k-point     9 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5180      1.00000
      2     -11.1344      1.00000
      3      -9.1167      1.00000
      4      -6.2309      1.00000
      5      -2.9649      1.00000
      6       1.0548      0.72020
      7       3.5849     -0.00000
      8       4.6948     -0.00000
      9       5.4121     -0.00000
     10       7.0366      0.00000
     11       7.2849      0.00000
     12       9.2006      0.00000

 k-point    10 :       0.0000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.5180      1.00000
      2     -11.1344      1.00000
      3      -9.1167      1.00000
      4      -6.2309      1.00000
      5      -2.9649      1.00000
      6       1.0548      0.72020
      7       3.5849     -0.00000
      8       4.6948     -0.00000
      9       5.4121     -0.00000
     10       7.0366      0.00000
     11       7.2849      0.00000
     12       9.2006      0.00000

 k-point    11 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -12.1536      1.00000
      2     -10.7687      1.00000
      3      -8.7491      1.00000
      4      -5.8568      1.00000
      5      -2.5989      1.00000
      6       1.3951     -0.03056
      7       3.8853     -0.00000
      8       4.9884     -0.00000
      9       5.6922     -0.00000
     10       7.1272      0.00000
     11       7.4666      0.00000
     12       7.8783      0.00000

 k-point    12 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1536      1.00000
      2     -10.7687      1.00000
      3      -8.7491      1.00000
      4      -5.8568      1.00000
      5      -2.5989      1.00000
      6       1.3951     -0.03056
      7       3.8853     -0.00000
      8       4.9884     -0.00000
      9       5.6922     -0.00000
     10       7.1272      0.00000
     11       7.4666      0.00000
     12       7.8784      0.00000

 k-point    13 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.1536      1.00000
      2     -10.7687      1.00000
      3      -8.7491      1.00000
      4      -5.8568      1.00000
      5      -2.5989      1.00000
      6       1.3951     -0.03056
      7       3.8853     -0.00000
      8       4.9884     -0.00000
      9       5.6922     -0.00000
     10       7.1272      0.00000
     11       7.4666      0.00000
     12       7.8783      0.00000

 k-point    14 :       0.2083    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6849      1.00000
      2     -10.2983      1.00000
      3      -8.2762      1.00000
      4      -5.3771      1.00000
      5      -2.1309      1.00000
      6       1.8107     -0.00000
      7       4.2273     -0.00000
      8       5.2649     -0.00000
      9       5.7010     -0.00000
     10       6.2343     -0.00000
     11       6.8015      0.00000
     12       8.3328      0.00000

 k-point    15 :       0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6849      1.00000
      2     -10.2983      1.00000
      3      -8.2762      1.00000
      4      -5.3771      1.00000
      5      -2.1309      1.00000
      6       1.8107     -0.00000
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      8       5.2649     -0.00000
      9       5.7010     -0.00000
     10       6.2343     -0.00000
     11       6.8015      0.00000
     12       8.3328      0.00000

 k-point    16 :       0.0000    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.6849      1.00000
      2     -10.2983      1.00000
      3      -8.2762      1.00000
      4      -5.3771      1.00000
      5      -2.1309      1.00000
      6       1.8107     -0.00000
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      8       5.2649     -0.00000
      9       5.7010     -0.00000
     10       6.2343     -0.00000
     11       6.8015      0.00000
     12       8.3328      0.00000

 k-point    17 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.1118      1.00000
      2      -9.7229      1.00000
      3      -7.6981      1.00000
      4      -4.7927      1.00000
      5      -1.5657      1.00000
      6       2.2421     -0.00000
      7       3.8179     -0.00000
      8       4.9051     -0.00000
      9       5.1596     -0.00000
     10       5.9029     -0.00000
     11       6.5570     -0.00000
     12       6.9723      0.00000

 k-point    18 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1118      1.00000
      2      -9.7229      1.00000
      3      -7.6981      1.00000
      4      -4.7927      1.00000
      5      -1.5657      1.00000
      6       2.2421     -0.00000
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      9       5.1596     -0.00000
     10       5.9029     -0.00000
     11       6.5571     -0.00000
     12       6.9723      0.00000

 k-point    19 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.1118      1.00000
      2      -9.7229      1.00000
      3      -7.6981      1.00000
      4      -4.7927      1.00000
      5      -1.5657      1.00000
      6       2.2421     -0.00000
      7       3.8179     -0.00000
      8       4.9051     -0.00000
      9       5.1596     -0.00000
     10       5.9029     -0.00000
     11       6.5570     -0.00000
     12       6.9723      0.00000

 k-point    20 :       0.2917    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.4337      1.00000
      2      -9.0422      1.00000
      3      -7.0148      1.00000
      4      -4.1069      1.00000
      5      -0.9191      1.00000
      6       1.9117     -0.00000
      7       3.0610     -0.00000
      8       3.6566     -0.00000
      9       5.1474     -0.00000
     10       5.5762     -0.00000
     11       6.4566     -0.00000
     12       8.8138      0.00000

 k-point    21 :       0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4337      1.00000
      2      -9.0422      1.00000
      3      -7.0148      1.00000
      4      -4.1069      1.00000
      5      -0.9191      1.00000
      6       1.9117     -0.00000
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      8       3.6566     -0.00000
      9       5.1474     -0.00000
     10       5.5762     -0.00000
     11       6.4479     -0.00000
     12       8.6615      0.00000

 k-point    22 :       0.0000    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.4337      1.00000
      2      -9.0422      1.00000
      3      -7.0148      1.00000
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      5      -0.9191      1.00000
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      8       3.6566     -0.00000
      9       5.1474     -0.00000
     10       5.5762     -0.00000
     11       6.4452     -0.00000
     12       8.2112      0.00000

 k-point    23 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.6503      1.00000
      2      -8.2557      1.00000
      3      -6.2270      1.00000
      4      -3.3294      1.00000
      5      -0.3402      1.00000
      6       0.5986      1.00099
      7       1.8820     -0.00000
      8       3.6894     -0.00000
      9       3.8723     -0.00000
     10       6.0550     -0.00000
     11       6.3663     -0.00000
     12       8.7763      0.00000

 k-point    24 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6503      1.00000
      2      -8.2557      1.00000
      3      -6.2270      1.00000
      4      -3.3294      1.00000
      5      -0.3402      1.00000
      6       0.5986      1.00099
      7       1.8820     -0.00000
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      9       3.8723     -0.00000
     10       6.0550     -0.00000
     11       6.3663     -0.00000
     12       8.7767      0.00000

 k-point    25 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6503      1.00000
      2      -8.2557      1.00000
      3      -6.2270      1.00000
      4      -3.3294      1.00000
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      6       0.5986      1.00099
      7       1.8820     -0.00000
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      9       3.8723     -0.00000
     10       6.0550     -0.00000
     11       6.3663     -0.00000
     12       8.7665      0.00000

 k-point    26 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7610      1.00000
      2      -7.3635      1.00000
      3      -5.3375      1.00000
      4      -2.5123      1.00000
      5      -1.2213      1.00000
      6       0.2007      1.00000
      7       1.0198      0.83309
      8       2.2584     -0.00000
      9       4.4739     -0.00000
     10       5.0197     -0.00000
     11       6.7595      0.00000
     12       8.4869      0.00000

 k-point    27 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7610      1.00000
      2      -7.3635      1.00000
      3      -5.3375      1.00000
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      6       0.2007      1.00000
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      8       2.2584     -0.00000
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     10       5.0197     -0.00000
     11       6.7595      0.00000
     12       8.4868      0.00000

 k-point    28 :       0.0000    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.7610      1.00000
      2      -7.3635      1.00000
      3      -5.3375      1.00000
      4      -2.5123      1.00000
      5      -1.2213      1.00000
      6       0.2007      1.00000
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      8       2.2584     -0.00000
      9       4.4739     -0.00000
     10       5.0197     -0.00000
     11       6.7596      0.00000
     12       8.3839      0.00000

 k-point    29 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.7652      1.00000
      2      -6.3664      1.00000
      3      -4.3566      1.00000
      4      -2.7984      1.00000
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      6      -0.8265      1.00000
      7       0.8252      1.03175
      8       1.8520     -0.00000
      9       3.5636     -0.00000
     10       5.3865     -0.00000
     11       6.3526     -0.00000
     12       8.2824      0.00000

 k-point    30 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7652      1.00000
      2      -6.3664      1.00000
      3      -4.3566      1.00000
      4      -2.7984      1.00000
      5      -1.7556      1.00000
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      8       1.8520     -0.00000
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     10       5.3865     -0.00000
     11       6.3526     -0.00000
     12       8.2824      0.00000

 k-point    31 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.7652      1.00000
      2      -6.3664      1.00000
      3      -4.3566      1.00000
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      6      -0.8265      1.00000
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      8       1.8520     -0.00000
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     10       5.3865     -0.00000
     11       6.3526     -0.00000
     12       8.2824      0.00000

 k-point    32 :       0.4583    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.6634      1.00000
      2      -5.2690      1.00000
      3      -4.1554      1.00000
      4      -3.3870      1.00000
      5      -2.6516      1.00000
      6      -0.7214      1.00000
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      8       2.2737     -0.00000
      9       2.8484     -0.00000
     10       5.1291     -0.00000
     11       6.2846     -0.00000
     12       8.1569      0.00000

 k-point    33 :       0.4583    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6634      1.00000
      2      -5.2690      1.00000
      3      -4.1554      1.00000
      4      -3.3870      1.00000
      5      -2.6516      1.00000
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      8       2.2737     -0.00000
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     10       5.1291     -0.00000
     11       6.2846     -0.00000
     12       8.1569      0.00000

 k-point    34 :       0.0000    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.6634      1.00000
      2      -5.2690      1.00000
      3      -4.1554      1.00000
      4      -3.3870      1.00000
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      6      -0.7214      1.00000
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      9       2.8484     -0.00000
     10       5.1291     -0.00000
     11       6.2846     -0.00000
     12       8.1569      0.00000

 k-point    35 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4803      1.00000
      2      -5.4343      1.00000
      3      -4.1240      1.00000
      4      -4.0553      1.00000
      5      -2.3755      1.00000
      6      -1.5201      1.00000
      7       0.8674      1.03515
      8       1.2325      0.06635
      9       3.7298     -0.00000
     10       4.1816     -0.00000
     11       6.9960      0.00000
     12       8.0922      0.00000

 k-point    36 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4803      1.00000
      2      -5.4343      1.00000
      3      -4.1240      1.00000
      4      -4.0553      1.00000
      5      -2.3755      1.00000
      6      -1.5201      1.00000
      7       0.8674      1.03515
      8       1.2325      0.06636
      9       3.7298     -0.00000
     10       4.1816     -0.00000
     11       6.9960      0.00000
     12       8.1038      0.00000

 k-point    37 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.4803      1.00000
      2      -5.4343      1.00000
      3      -4.1240      1.00000
      4      -4.0553      1.00000
      5      -2.3755      1.00000
      6      -1.5201      1.00000
      7       0.8674      1.03515
      8       1.2325      0.06635
      9       3.7298     -0.00000
     10       4.1816     -0.00000
     11       6.9960      0.00000
     12       8.1130      0.00000

 k-point    38 :       0.0833    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8303      1.00000
      2     -11.4477      1.00000
      3      -9.4318      1.00000
      4      -6.5520      1.00000
      5      -3.2799      1.00000
      6       0.7533      1.01522
      7       3.3197     -0.00000
      8       4.4372     -0.00000
      9       5.1601     -0.00000
     10       6.7973      0.00000
     11       7.0473      0.00000
     12       9.9900      0.00000

 k-point    39 :       0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.8303      1.00000
      2     -11.4477      1.00000
      3      -9.4318      1.00000
      4      -6.5520      1.00000
      5      -3.2799      1.00000
      6       0.7533      1.01522
      7       3.3197     -0.00000
      8       4.4372     -0.00000
      9       5.1601     -0.00000
     10       6.7973      0.00000
     11       7.0473      0.00000
     12       9.9850      0.00000

 k-point    40 :      -0.0417    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.8303      1.00000
      2     -11.4477      1.00000
      3      -9.4318      1.00000
      4      -6.5520      1.00000
      5      -3.2799      1.00000
      6       0.7533      1.01522
      7       3.3197     -0.00000
      8       4.4372     -0.00000
      9       5.1601     -0.00000
     10       6.7973      0.00000
     11       7.0473      0.00000
     12      10.1331      0.00000

 k-point    41 :       0.1250    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3379      1.00000
      5      -3.0698      1.00000
      6       0.9553      0.98160
      7       3.4972     -0.00000
      8       4.6093     -0.00000
      9       5.3288     -0.00000
     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9600      0.00000

 k-point    42 :       0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3379      1.00000
      5      -3.0698      1.00000
      6       0.9553      0.98160
      7       3.4972     -0.00000
      8       4.6093     -0.00000
      9       5.3288     -0.00000
     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9600      0.00000

 k-point    43 :      -0.0417    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3379      1.00000
      5      -3.0698      1.00000
      6       0.9553      0.98160
      7       3.4972     -0.00000
      8       4.6093     -0.00000
      9       5.3288     -0.00000
     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9600      0.00000

 k-point    44 :       0.0833   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3379      1.00000
      5      -3.0698      1.00000
      6       0.9553      0.98160
      7       3.4972     -0.00000
      8       4.6093     -0.00000
      9       5.3288     -0.00000
     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9600      0.00000

 k-point    45 :      -0.0417   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3379      1.00000
      5      -3.0698      1.00000
      6       0.9553      0.98160
      7       3.4972     -0.00000
      8       4.6093     -0.00000
      9       5.3288     -0.00000
     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9600      0.00000

 k-point    46 :      -0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.6221      1.00000
      2     -11.2389      1.00000
      3      -9.2218      1.00000
      4      -6.3379      1.00000
      5      -3.0698      1.00000
      6       0.9553      0.98160
      7       3.4972     -0.00000
      8       4.6093     -0.00000
      9       5.3288     -0.00000
     10       6.9597      0.00000
     11       7.2087      0.00000
     12       9.9600      0.00000

 k-point    47 :       0.1667    0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03647
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1776      0.00000
     11       7.4233      0.00000
     12       8.4373      0.00000

 k-point    48 :       0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03647
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1776      0.00000
     11       7.4233      0.00000
     12       8.4373      0.00000

 k-point    49 :      -0.0417    0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03647
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1776      0.00000
     11       7.4233      0.00000
     12       8.4373      0.00000

 k-point    50 :       0.1250   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03647
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1776      0.00000
     11       7.4233      0.00000
     12       8.4373      0.00000

 k-point    51 :      -0.0417   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03647
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1776      0.00000
     11       7.4233      0.00000
     12       8.4373      0.00000

 k-point    52 :      -0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -12.3098      1.00000
      2     -10.9255      1.00000
      3      -8.9066      1.00000
      4      -6.0170      1.00000
      5      -2.7555      1.00000
      6       1.2510      0.03647
      7       3.7585     -0.00000
      8       4.8644     -0.00000
      9       5.5765     -0.00000
     10       7.1776      0.00000
     11       7.4233      0.00000
     12       8.4373      0.00000

 k-point    53 :       0.2083    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.5978      0.00000
     12       7.6004      0.00000

 k-point    54 :       0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6003      0.00000
     12       7.6015      0.00000

 k-point    55 :      -0.0417    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6003      0.00000
     12       7.6018      0.00000

 k-point    56 :       0.1667   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6003      0.00000
     12       7.6019      0.00000

 k-point    57 :      -0.0417   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6002      0.00000
     12       7.6021      0.00000

 k-point    58 :      -0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.8933      1.00000
      2     -10.5074      1.00000
      3      -8.4864      1.00000
      4      -5.5901      1.00000
      5      -2.3384      1.00000
      6       1.6304     -0.00070
      7       4.0899     -0.00000
      8       5.1867     -0.00000
      9       5.8561     -0.00000
     10       6.6172      0.00000
     11       7.6003      0.00000
     12       7.6019      0.00000

 k-point    59 :       0.2500    0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9846      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4017     -0.00000
     12       7.7384      0.00000

 k-point    60 :       0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9846      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4017     -0.00000
     12       7.7384      0.00000

 k-point    61 :      -0.0417    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9846      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4017     -0.00000
     12       7.7384      0.00000

 k-point    62 :       0.2083   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9846      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4017     -0.00000
     12       7.7384      0.00000

 k-point    63 :      -0.0417   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9846      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4017     -0.00000
     12       7.7383      0.00000

 k-point    64 :      -0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.3724      1.00000
      2      -9.9846      1.00000
      3      -7.9609      1.00000
      4      -5.0580      1.00000
      5      -1.8212      1.00000
      6       2.0689     -0.00000
      7       4.3055     -0.00000
      8       4.9802     -0.00000
      9       5.7096     -0.00000
     10       6.0123     -0.00000
     11       6.4017     -0.00000
     12       7.7384      0.00000

 k-point    65 :       0.2917    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3464     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1435     -0.00000
     11       6.1879     -0.00000
     12       7.5892      0.00000

 k-point    66 :       0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3464     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1435     -0.00000
     11       6.1879     -0.00000
     12       7.5916      0.00000

 k-point    67 :      -0.0417    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3464     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1435     -0.00000
     11       6.1879     -0.00000
     12       7.5946      0.00000

 k-point    68 :       0.2500   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3464     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1435     -0.00000
     11       6.1879     -0.00000
     12       7.5920      0.00000

 k-point    69 :      -0.0417   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3464     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1435     -0.00000
     11       6.1879     -0.00000
     12       7.5918      0.00000

 k-point    70 :      -0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.7468      1.00000
      2      -9.3565      1.00000
      3      -7.3302      1.00000
      4      -4.4225      1.00000
      5      -1.2120      1.00000
      6       2.3464     -0.00000
      7       3.2866     -0.00000
      8       4.3880     -0.00000
      9       5.1353     -0.00000
     10       6.1435     -0.00000
     11       6.1879     -0.00000
     12       7.5902      0.00000

 k-point    71 :       0.3333    0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.7698      0.00000
     12       7.0449      0.00000

 k-point    72 :       0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.7698      0.00000
     12       7.0449      0.00000

 k-point    73 :      -0.0417    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.7698      0.00000
     12       7.0449      0.00000

 k-point    74 :       0.2917   -0.0417    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.7698      0.00000
     12       7.0449      0.00000

 k-point    75 :      -0.0417   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.7698      0.00000
     12       7.0449      0.00000

 k-point    76 :      -0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.0161      1.00000
      2      -8.6229      1.00000
      3      -6.5945      1.00000
      4      -3.6891      1.00000
      5      -0.5501      1.00000
      6       1.2715      0.00306
      7       2.6400     -0.00000
      8       3.5759     -0.00000
      9       4.5269     -0.00000
     10       5.7807     -0.00000
     11       6.7698      0.00000
     12       7.0449      0.00000

 k-point    77 :       0.3750    0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05247
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    78 :       0.3333    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05247
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    79 :      -0.0417    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05247
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    80 :       0.3333   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05247
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    81 :      -0.0417   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05247
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    82 :      -0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.1797      1.00000
      2      -7.7835      1.00000
      3      -5.7553      1.00000
      4      -2.8778      1.00000
      5      -0.5460      1.00000
      6       0.4539      1.00002
      7       1.2400      0.05247
      8       3.0206     -0.00000
      9       4.1819     -0.00000
     10       5.6684     -0.00000
     11       6.4202     -0.00000
     12       7.5021      0.00000

 k-point    83 :       0.4167    0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    84 :       0.3750    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0237     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    85 :      -0.0417    0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0237     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    86 :       0.3750   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0237     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    87 :      -0.0417   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0238     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    88 :      -0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -8.2372      1.00000
      2      -6.8386      1.00000
      3      -4.8179      1.00000
      4      -2.2585      1.00000
      5      -1.7114      1.00000
      6      -0.3601      1.00000
      7       1.3523     -0.03545
      8       1.6348     -0.00061
      9       4.2238     -0.00000
     10       5.0237     -0.00000
     11       6.9044      0.00000
     12       7.0644      0.00000

 k-point    89 :       0.4583    0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    90 :       0.4167    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    91 :      -0.0417    0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    92 :       0.4167   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    93 :      -0.0417   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    94 :      -0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -7.1882      1.00000
      2      -5.7904      1.00000
      3      -3.8078      1.00000
      4      -3.4375      1.00000
      5      -2.0844      1.00000
      6      -0.6720      1.00000
      7       0.2496      1.00000
      8       2.3601     -0.00000
      9       2.9507     -0.00000
     10       5.6749     -0.00000
     11       5.8915     -0.00000
     12       7.1631      0.00000

 k-point    95 :       0.5000    0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0340      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5984      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    96 :       0.4583    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0340      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5984      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    97 :      -0.0417    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0340      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5984      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    98 :       0.4583   -0.0417    0.0000
  band No.  band energies     occupation 
      1      -6.0340      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5984      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point    99 :      -0.0417    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.0340      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5984      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point   100 :       0.5000   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0340      1.00000
      2      -4.7783      1.00000
      3      -4.6475      1.00000
      4      -3.4770      1.00000
      5      -2.5984      1.00000
      6      -1.1698      1.00000
      7       0.5007      1.00008
      8       1.7050     -0.00009
      9       3.3887     -0.00000
     10       4.5980     -0.00000
     11       6.6089      0.00000
     12       7.0688      0.00000

 k-point   101 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3619      1.00000
      2     -10.9777      1.00000
      3      -8.9592      1.00000
      4      -6.0705      1.00000
      5      -2.8078      1.00000
      6       1.2025      0.14805
      7       3.7158     -0.00000
      8       4.8226     -0.00000
      9       5.5366     -0.00000
     10       7.1536      0.00000
     11       7.3974      0.00000
     12       9.3059      0.00000

 k-point   102 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -12.3619      1.00000
      2     -10.9777      1.00000
      3      -8.9592      1.00000
      4      -6.0705      1.00000
      5      -2.8078      1.00000
      6       1.2025      0.14805
      7       3.7158     -0.00000
      8       4.8226     -0.00000
      9       5.5366     -0.00000
     10       7.1536      0.00000
     11       7.3974      0.00000
     12       9.3059      0.00000

 k-point   103 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -12.3619      1.00000
      2     -10.9777      1.00000
      3      -8.9592      1.00000
      4      -6.0705      1.00000
      5      -2.8078      1.00000
      6       1.2025      0.14805
      7       3.7158     -0.00000
      8       4.8226     -0.00000
      9       5.5366     -0.00000
     10       7.1536      0.00000
     11       7.3973      0.00000
     12       9.3043      0.00000

 k-point   104 :       0.2083    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2743      0.00000
     11       7.5331      0.00000
     12       8.2340      0.00000

 k-point   105 :       0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2743      0.00000
     11       7.5331      0.00000
     12       8.2340      0.00000

 k-point   106 :      -0.0833    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2743      0.00000
     11       7.5331      0.00000
     12       8.2340      0.00000

 k-point   107 :       0.1250   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2743      0.00000
     11       7.5331      0.00000
     12       8.2340      0.00000

 k-point   108 :      -0.0833   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2743      0.00000
     11       7.5331      0.00000
     12       8.2340      0.00000

 k-point   109 :      -0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.9974      1.00000
      2     -10.6120      1.00000
      3      -8.5915      1.00000
      4      -5.6968      1.00000
      5      -2.4424      1.00000
      6       1.5383     -0.00481
      7       4.0130     -0.00000
      8       5.1144     -0.00000
      9       5.8131     -0.00000
     10       7.2743      0.00000
     11       7.5331      0.00000
     12       8.2340      0.00000

 k-point   110 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3488     -0.00000
     11       6.9166      0.00000
     12       8.0062      0.00000

 k-point   111 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3488     -0.00000
     11       6.9166      0.00000
     12       8.0219      0.00000

 k-point   112 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3488     -0.00000
     11       6.9166      0.00000
     12       8.0194      0.00000

 k-point   113 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3488     -0.00000
     11       6.9166      0.00000
     12       8.0156      0.00000

 k-point   114 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3488     -0.00000
     11       6.9166      0.00000
     12       8.0149      0.00000

 k-point   115 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.5287      1.00000
      2     -10.1415      1.00000
      3      -8.1186      1.00000
      4      -5.2174      1.00000
      5      -1.9753      1.00000
      6       1.9488     -0.00000
      7       4.3507     -0.00000
      8       5.3915     -0.00000
      9       5.8204     -0.00000
     10       6.3488     -0.00000
     11       6.9166      0.00000
     12       8.0202      0.00000

 k-point   116 :       0.2917    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5405      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0102     -0.00000
     11       6.8492      0.00000
     12       7.2073      0.00000

 k-point   117 :       0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0102     -0.00000
     11       6.8493      0.00000
     12       7.2082      0.00000

 k-point   118 :      -0.0833    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5405      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0102     -0.00000
     11       6.8490      0.00000
     12       7.2063      0.00000

 k-point   119 :       0.2083   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5405      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0102     -0.00000
     11       6.8471      0.00000
     12       7.1954      0.00000

 k-point   120 :      -0.0833   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5404      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0102     -0.00000
     11       6.8491      0.00000
     12       7.2071      0.00000

 k-point   121 :      -0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.9554      1.00000
      2      -9.5659      1.00000
      3      -7.5405      1.00000
      4      -4.6337      1.00000
      5      -1.4115      1.00000
      6       2.3761     -0.00000
      7       3.9499     -0.00000
      8       5.0184     -0.00000
      9       5.2868     -0.00000
     10       6.0102     -0.00000
     11       6.8467      0.00000
     12       7.1927      0.00000

 k-point   122 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5511      0.00000
     12       7.4647      0.00000

 k-point   123 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5511      0.00000
     12       7.4647      0.00000

 k-point   124 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5511      0.00000
     12       7.4645      0.00000

 k-point   125 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5511      0.00000
     12       7.4646      0.00000

 k-point   126 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5511      0.00000
     12       7.4647      0.00000

 k-point   127 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -8.8850      1.00000
      3      -6.8572      1.00000
      4      -3.9490      1.00000
      5      -0.7671      1.00000
      6       2.0566     -0.00000
      7       3.1883     -0.00000
      8       3.7791     -0.00000
      9       5.2655     -0.00000
     10       5.6521     -0.00000
     11       6.5511      0.00000
     12       7.4646      0.00000

 k-point   128 :       0.3750    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8127     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7370      0.00000

 k-point   129 :       0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8127     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7373      0.00000

 k-point   130 :      -0.0833    0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8127     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7373      0.00000

 k-point   131 :       0.2917   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8127     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7374      0.00000

 k-point   132 :      -0.0833   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8127     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7373      0.00000

 k-point   133 :      -0.3750   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -9.4936      1.00000
      2      -8.0985      1.00000
      3      -6.0696      1.00000
      4      -3.1734      1.00000
      5      -0.1907      1.00000
      6       0.7477      1.01479
      7       2.0255     -0.00000
      8       3.8127     -0.00000
      9       3.9678     -0.00000
     10       5.9829     -0.00000
     11       6.2451     -0.00000
     12       6.7374      0.00000

 k-point   134 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2062      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27291
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3414      0.00000

 k-point   135 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2062      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27289
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3413      0.00000

 k-point   136 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2062      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27290
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3421      0.00000

 k-point   137 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2062      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27291
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3415      0.00000

 k-point   138 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2062      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27290
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3415      0.00000

 k-point   139 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.6040      1.00000
      2      -7.2062      1.00000
      3      -5.1805      1.00000
      4      -2.3597      1.00000
      5      -1.0678      1.00000
      6       0.3498      1.00000
      7       1.1630      0.27289
      8       2.3964     -0.00000
      9       4.5036     -0.00000
     10       5.0941     -0.00000
     11       6.0545     -0.00000
     12       7.3415      0.00000

 k-point   140 :       0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95408
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   141 :       0.3750    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   142 :      -0.0833    0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   143 :       0.3750   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95408
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   144 :      -0.0833   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   145 :      -0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -7.6081      1.00000
      2      -6.2092      1.00000
      3      -4.2008      1.00000
      4      -2.6445      1.00000
      5      -1.6044      1.00000
      6      -0.6739      1.00000
      7       0.9687      0.95407
      8       1.9883     -0.00000
      9       3.6553     -0.00000
     10       5.2909     -0.00000
     11       5.9030     -0.00000
     12       6.5967      0.00000

 k-point   146 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   147 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   148 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   149 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   150 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   151 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5061      1.00000
      2      -5.1122      1.00000
      3      -3.9992      1.00000
      4      -3.2341      1.00000
      5      -2.4965      1.00000
      6      -0.5699      1.00000
      7       0.1815      1.00000
      8       2.3896     -0.00000
      9       2.9750     -0.00000
     10       5.1649     -0.00000
     11       5.5921     -0.00000
     12       6.5091     -0.00000

 k-point   152 :      -0.4583    0.0833    0.0000
  band No.  band energies     occupation 
      1      -5.3242      1.00000
      2      -5.2764      1.00000
      3      -3.9659      1.00000
      4      -3.9024      1.00000
      5      -2.2253      1.00000
      6      -1.3631      1.00000
      7       1.0048      0.86684
      8       1.3616     -0.03507
      9       3.8194     -0.00000
     10       4.3089     -0.00000
     11       5.5731     -0.00000
     12       6.7364      0.00000

 k-point   153 :       0.4583   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3242      1.00000
      2      -5.2764      1.00000
      3      -3.9659      1.00000
      4      -3.9024      1.00000
      5      -2.2253      1.00000
      6      -1.3631      1.00000
      7       1.0048      0.86681
      8       1.3616     -0.03507
      9       3.8194     -0.00000
     10       4.3089     -0.00000
     11       5.5731     -0.00000
     12       6.7364      0.00000

 k-point   154 :      -0.0833    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.3242      1.00000
      2      -5.2764      1.00000
      3      -3.9659      1.00000
      4      -3.9024      1.00000
      5      -2.2253      1.00000
      6      -1.3631      1.00000
      7       1.0048      0.86682
      8       1.3616     -0.03507
      9       3.8194     -0.00000
     10       4.3089     -0.00000
     11       5.5731     -0.00000
     12       6.7364      0.00000

 k-point   155 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5808      1.00000
      2     -10.1938      1.00000
      3      -8.1711      1.00000
      4      -5.2706      1.00000
      5      -2.0269      1.00000
      6       1.9071     -0.00000
      7       4.3316     -0.00000
      8       5.4249     -0.00000
      9       6.0565     -0.00000
     10       6.8418      0.00000
     11       7.2707      0.00000
     12       7.8715      0.00000

 k-point   156 :       0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.5808      1.00000
      2     -10.1938      1.00000
      3      -8.1711      1.00000
      4      -5.2706      1.00000
      5      -2.0269      1.00000
      6       1.9071     -0.00000
      7       4.3316     -0.00000
      8       5.4249     -0.00000
      9       6.0565     -0.00000
     10       6.8418      0.00000
     11       7.2707      0.00000
     12       7.8715      0.00000

 k-point   157 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.5808      1.00000
      2     -10.1938      1.00000
      3      -8.1711      1.00000
      4      -5.2706      1.00000
      5      -2.0269      1.00000
      6       1.9071     -0.00000
      7       4.3316     -0.00000
      8       5.4249     -0.00000
      9       6.0565     -0.00000
     10       6.8418      0.00000
     11       7.2707      0.00000
     12       7.8715      0.00000

 k-point   158 :       0.2917    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2184     -0.00000
      9       5.8237     -0.00000
     10       6.2171     -0.00000
     11       6.3199     -0.00000
     12       7.2156      0.00000

 k-point   159 :       0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2184     -0.00000
      9       5.8237     -0.00000
     10       6.2170     -0.00000
     11       6.3199     -0.00000
     12       7.2143      0.00000

 k-point   160 :      -0.1250    0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2184     -0.00000
      9       5.8237     -0.00000
     10       6.2170     -0.00000
     11       6.3199     -0.00000
     12       7.2150      0.00000

 k-point   161 :       0.1667   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2184     -0.00000
      9       5.8237     -0.00000
     10       6.2171     -0.00000
     11       6.3199     -0.00000
     12       7.2156      0.00000

 k-point   162 :      -0.1250   -0.2917    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2184     -0.00000
      9       5.8237     -0.00000
     10       6.2170     -0.00000
     11       6.3199     -0.00000
     12       7.2152      0.00000

 k-point   163 :      -0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1     -11.0597      1.00000
      2      -9.6706      1.00000
      3      -7.6456      1.00000
      4      -4.7395      1.00000
      5      -1.5122      1.00000
      6       2.3330     -0.00000
      7       4.5351     -0.00000
      8       5.2184     -0.00000
      9       5.8237     -0.00000
     10       6.2170     -0.00000
     11       6.3199     -0.00000
     12       7.2153      0.00000

 k-point   164 :       0.3333    0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6143     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9278      0.00000

 k-point   165 :       0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6143     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9278      0.00000

 k-point   166 :      -0.1250    0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6143     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9278      0.00000

 k-point   167 :       0.2083   -0.1250    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6143     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9278      0.00000

 k-point   168 :      -0.1250   -0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6143     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9278      0.00000

 k-point   169 :      -0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1     -10.4338      1.00000
      2      -9.0423      1.00000
      3      -7.0148      1.00000
      4      -4.1058      1.00000
      5      -0.9071      1.00000
      6       2.6143     -0.00000
      7       3.5306     -0.00000
      8       4.6230     -0.00000
      9       5.2155     -0.00000
     10       5.7515     -0.00000
     11       6.2513     -0.00000
     12       6.9278      0.00000

 k-point   170 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   171 :       0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   172 :      -0.1250    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   173 :       0.2500   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   174 :      -0.1250   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   175 :      -0.3750   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.7028      1.00000
      2      -8.3084      1.00000
      3      -6.2794      1.00000
      4      -3.3756      1.00000
      5      -0.2513      1.00000
      6       1.5653     -0.00274
      7       2.9191     -0.00000
      8       3.7242     -0.00000
      9       4.7483     -0.00000
     10       5.0906     -0.00000
     11       6.0910     -0.00000
     12       6.3985     -0.00000

 k-point   176 :       0.4167    0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   177 :       0.2917    0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   178 :      -0.1250    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   179 :       0.2917   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   180 :      -0.1250   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   181 :      -0.4167   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.8660      1.00000
      2      -7.4688      1.00000
      3      -5.4409      1.00000
      4      -2.5697      1.00000
      5      -0.2449      1.00000
      6       0.7448      1.01438
      7       1.5290     -0.00549
      8       3.2796     -0.00000
      9       4.0905     -0.00000
     10       4.9569     -0.00000
     11       5.6854     -0.00000
     12       6.4780     -0.00000

 k-point   182 :       0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   183 :       0.3333    0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   184 :      -0.1250    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   185 :       0.3333   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   186 :      -0.1250   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   187 :      -0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.9230      1.00000
      2      -6.5239      1.00000
      3      -4.5051      1.00000
      4      -1.9577      1.00000
      5      -1.4033      1.00000
      6      -0.0602      1.00000
      7       1.6186     -0.00086
      8       1.9165     -0.00000
      9       3.9932     -0.00000
     10       4.6969     -0.00000
     11       5.3232     -0.00000
     12       6.1106     -0.00000

 k-point   188 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   189 :       0.3750    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   190 :      -0.1250    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   191 :       0.3750   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   192 :      -0.1250    0.5000    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   193 :       0.5000   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.8737      1.00000
      2      -5.4763      1.00000
      3      -3.4986      1.00000
      4      -3.1272      1.00000
      5      -1.7792      1.00000
      6      -0.3757      1.00000
      7       0.5361      1.00021
      8       2.5845     -0.00000
      9       3.1171     -0.00000
     10       4.2745     -0.00000
     11       5.4489     -0.00000
     12       6.1737     -0.00000

 k-point   194 :      -0.4583    0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   195 :       0.4167   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   196 :      -0.1250    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   197 :       0.4167   -0.1250    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   198 :      -0.1250    0.4583    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   199 :       0.4583   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.7198      1.00000
      2      -4.4657      1.00000
      3      -4.3342      1.00000
      4      -3.1696      1.00000
      5      -2.2926      1.00000
      6      -0.8633      1.00000
      7       0.7696      1.01964
      8       1.9301     -0.00000
      9       3.4994     -0.00000
     10       4.2455     -0.00000
     11       4.8889     -0.00000
     12       5.6185     -0.00000

 k-point   200 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4860      1.00000
      2      -9.0947      1.00000
      3      -7.0674      1.00000
      4      -4.1582      1.00000
      5      -0.9547      1.00000
      6       2.7214     -0.00000
      7       4.1482     -0.00000
      8       4.5883     -0.00000
      9       5.4975     -0.00000
     10       5.6142     -0.00000
     11       5.7341     -0.00000
     12       7.0890      0.00000

 k-point   201 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -10.4860      1.00000
      2      -9.0947      1.00000
      3      -7.0674      1.00000
      4      -4.1582      1.00000
      5      -0.9547      1.00000
      6       2.7214     -0.00000
      7       4.1482     -0.00000
      8       4.5883     -0.00000
      9       5.4975     -0.00000
     10       5.6142     -0.00000
     11       5.7341     -0.00000
     12       7.0890      0.00000

 k-point   202 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.4860      1.00000
      2      -9.0947      1.00000
      3      -7.0674      1.00000
      4      -4.1582      1.00000
      5      -0.9547      1.00000
      6       2.7214     -0.00000
      7       4.1482     -0.00000
      8       4.5883     -0.00000
      9       5.4975     -0.00000
     10       5.6142     -0.00000
     11       5.7341     -0.00000
     12       7.0890      0.00000

 k-point   203 :       0.3750    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   204 :       0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   205 :      -0.1667    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   206 :       0.2083   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   207 :      -0.1667   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   208 :      -0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.8073      1.00000
      2      -8.4134      1.00000
      3      -6.3843      1.00000
      4      -3.4778      1.00000
      5      -0.3209      1.00000
      6       2.4775     -0.00000
      7       3.3344     -0.00000
      8       3.8934     -0.00000
      9       4.3737     -0.00000
     10       5.0910     -0.00000
     11       5.7920     -0.00000
     12       6.0844     -0.00000

 k-point   209 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19183
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   210 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19182
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   211 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19182
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   212 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19183
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   213 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19182
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   214 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0231      1.00000
      2      -7.6264      1.00000
      3      -5.5975      1.00000
      4      -2.7093      1.00000
      5       0.2426      1.00000
      6       1.1851      0.19182
      7       2.4481     -0.00000
      8       3.2162     -0.00000
      9       4.1187     -0.00000
     10       4.4128     -0.00000
     11       5.0807     -0.00000
     12       6.3411     -0.00000

 k-point   215 :       0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   216 :       0.2917    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   217 :      -0.1667    0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   218 :       0.2917   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   219 :      -0.1667   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   220 :      -0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -8.1329      1.00000
      2      -6.7340      1.00000
      3      -4.7105      1.00000
      4      -1.9073      1.00000
      5      -0.6125      1.00000
      6       0.7786      1.02172
      7       1.5557     -0.00335
      8       2.7716     -0.00000
      9       2.9898     -0.00000
     10       4.3062     -0.00000
     11       5.2239     -0.00000
     12       5.8074     -0.00000

 k-point   221 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1033     -0.00000

 k-point   222 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1033     -0.00000

 k-point   223 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1034     -0.00000

 k-point   224 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1033     -0.00000

 k-point   225 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1032     -0.00000

 k-point   226 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.1364      1.00000
      2      -5.7375      1.00000
      3      -3.7349      1.00000
      4      -2.1837      1.00000
      5      -1.1560      1.00000
      6      -0.2344      1.00000
      7       1.3682     -0.03441
      8       2.2158     -0.00000
      9       2.8883     -0.00000
     10       3.8680     -0.00000
     11       4.6474     -0.00000
     12       6.1033     -0.00000

 k-point   227 :      -0.4583    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1250      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9887     -0.00000

 k-point   228 :       0.3750   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1250      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9959     -0.00000

 k-point   229 :      -0.1667    0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9602     -0.00000

 k-point   230 :       0.3750   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1250      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9903     -0.00000

 k-point   231 :      -0.1667    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1250      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9995     -0.00000

 k-point   232 :       0.4583   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -6.0344      1.00000
      2      -4.6424      1.00000
      3      -3.5311      1.00000
      4      -2.7772      1.00000
      5      -2.0339      1.00000
      6      -0.1249      1.00000
      7       0.5657      1.00046
      8       2.2473     -0.00000
      9       2.9851     -0.00000
     10       3.5782     -0.00000
     11       4.2800     -0.00000
     12       5.9969     -0.00000

 k-point   233 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.8559      1.00000
      2      -4.8032      1.00000
      3      -3.4929      1.00000
      4      -3.4443      1.00000
      5      -1.7774      1.00000
      6      -0.9009      1.00000
      7       1.3532     -0.03540
      8       1.5726     -0.00241
      9       2.7425     -0.00000
     10       4.0476     -0.00000
     11       4.4453     -0.00000
     12       4.9093     -0.00000

 k-point   234 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8559      1.00000
      2      -4.8032      1.00000
      3      -3.4929      1.00000
      4      -3.4443      1.00000
      5      -1.7774      1.00000
      6      -0.9009      1.00000
      7       1.3532     -0.03540
      8       1.5726     -0.00241
      9       2.7425     -0.00000
     10       4.0476     -0.00000
     11       4.4453     -0.00000
     12       4.9093     -0.00000

 k-point   235 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.8559      1.00000
      2      -4.8032      1.00000
      3      -3.4929      1.00000
      4      -3.4443      1.00000
      5      -1.7774      1.00000
      6      -0.9009      1.00000
      7       1.3532     -0.03540
      8       1.5726     -0.00241
      9       2.7425     -0.00000
     10       4.0476     -0.00000
     11       4.4453     -0.00000
     12       4.9093     -0.00000

 k-point   236 :       0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0755      1.00000
      2      -7.6789      1.00000
      3      -5.6498      1.00000
      4      -2.7572      1.00000
      5       0.2960      1.00000
      6       2.0482     -0.00000
      7       2.2499     -0.00000
      8       3.4181     -0.00000
      9       3.5060     -0.00000
     10       4.5386     -0.00000
     11       5.1893     -0.00000
     12       5.7358     -0.00000

 k-point   237 :       0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -9.0755      1.00000
      2      -7.6789      1.00000
      3      -5.6498      1.00000
      4      -2.7572      1.00000
      5       0.2960      1.00000
      6       2.0482     -0.00000
      7       2.2499     -0.00000
      8       3.4181     -0.00000
      9       3.5060     -0.00000
     10       4.5386     -0.00000
     11       5.1893     -0.00000
     12       5.7358     -0.00000

 k-point   238 :      -0.2083    0.2083    0.0000
  band No.  band energies     occupation 
      1      -9.0755      1.00000
      2      -7.6789      1.00000
      3      -5.6498      1.00000
      4      -2.7572      1.00000
      5       0.2960      1.00000
      6       2.0482     -0.00000
      7       2.2499     -0.00000
      8       3.4181     -0.00000
      9       3.5060     -0.00000
     10       4.5386     -0.00000
     11       5.1893     -0.00000
     12       5.7358     -0.00000

 k-point   239 :       0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27287
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   240 :       0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27286
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   241 :      -0.2083    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27286
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   242 :       0.2500   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27287
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   243 :      -0.2083   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27287
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   244 :      -0.4583   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.2378      1.00000
      2      -6.8390      1.00000
      3      -4.8137      1.00000
      4      -1.9675      1.00000
      5       0.3264      1.00000
      6       1.1610      0.27286
      7       1.9075     -0.00000
      8       2.1135     -0.00000
      9       3.0511     -0.00000
     10       3.8868     -0.00000
     11       5.1013     -0.00000
     12       5.2979     -0.00000

 k-point   245 :       0.5000    0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   246 :       0.2917    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   247 :      -0.2083    0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   248 :       0.2917   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   249 :      -0.2083    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   250 :       0.5000   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -7.2940      1.00000
      2      -5.8946      1.00000
      3      -3.8827      1.00000
      4      -1.3622      1.00000
      5      -0.8136      1.00000
      6       0.4851      1.00005
      7       1.3359     -0.03461
      8       2.1393     -0.00000
      9       2.5126     -0.00000
     10       3.0810     -0.00000
     11       4.7607     -0.00000
     12       5.4155     -0.00000

 k-point   251 :      -0.4583    0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97428
      8       1.2761     -0.00317
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   252 :       0.3333   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97427
      8       1.2761     -0.00317
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0250     -0.00000
     12       4.8017     -0.00000

 k-point   253 :      -0.2083    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97428
      8       1.2761     -0.00317
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   254 :       0.3333   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97428
      8       1.2761     -0.00317
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   255 :      -0.2083    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97427
      8       1.2761     -0.00317
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0250     -0.00000
     12       4.8017     -0.00000

 k-point   256 :       0.4583   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.2444      1.00000
      2      -4.8489      1.00000
      3      -2.8855      1.00000
      4      -2.5080      1.00000
      5      -1.1749      1.00000
      6       0.1248      1.00000
      7       0.9573      0.97427
      8       1.2761     -0.00317
      9       2.6505     -0.00000
     10       3.3912     -0.00000
     11       4.0251     -0.00000
     12       4.8017     -0.00000

 k-point   257 :      -0.4167    0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   258 :       0.3750   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   259 :      -0.2083    0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   260 :       0.3750   -0.2083    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   261 :      -0.2083    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   262 :       0.4167   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -5.0915      1.00000
      2      -3.8421      1.00000
      3      -3.7087      1.00000
      4      -2.5575      1.00000
      5      -1.6902      1.00000
      6      -0.2717      1.00000
      7       0.8107      1.02863
      8       1.3184     -0.03088
      9       2.4593     -0.00000
     10       3.1665     -0.00000
     11       4.3410     -0.00000
     12       4.6644     -0.00000

 k-point   263 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3466      1.00000
      2      -5.9470      1.00000
      3      -3.9326      1.00000
      4      -1.2124      1.00000
      5      -0.0253      1.00000
      6       0.2815      1.00000
      7       1.4196     -0.02434
      8       1.7023     -0.00010
      9       2.4838     -0.00000
     10       3.2415     -0.00000
     11       4.0686     -0.00000
     12       5.7832     -0.00000

 k-point   264 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -7.3466      1.00000
      2      -5.9470      1.00000
      3      -3.9326      1.00000
      4      -1.2124      1.00000
      5      -0.0253      1.00000
      6       0.2815      1.00000
      7       1.4196     -0.02434
      8       1.7023     -0.00010
      9       2.4838     -0.00000
     10       3.2415     -0.00000
     11       4.0686     -0.00000
     12       5.7832     -0.00000

 k-point   265 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -7.3466      1.00000
      2      -5.9470      1.00000
      3      -3.9326      1.00000
      4      -1.2124      1.00000
      5      -0.0253      1.00000
      6       0.2815      1.00000
      7       1.4196     -0.02434
      8       1.7023     -0.00010
      9       2.4838     -0.00000
     10       3.2415     -0.00000
     11       4.0686     -0.00000
     12       5.7832     -0.00000

 k-point   266 :      -0.4583    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02134
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   267 :       0.2917   -0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   268 :      -0.2500    0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02134
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   269 :       0.2917   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02134
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   270 :      -0.2500    0.4583    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02135
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   271 :       0.4583   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -6.3495      1.00000
      2      -4.9527      1.00000
      3      -2.9685      1.00000
      4      -1.4192      1.00000
      5      -0.5369      1.00000
      6      -0.1511      1.00000
      7       0.5314      1.00020
      8       1.2983     -0.02134
      9       2.2929     -0.00000
     10       3.2474     -0.00000
     11       3.5570     -0.00000
     12       5.0570     -0.00000

 k-point   272 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   273 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   274 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   275 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   276 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   277 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -3.8626      1.00000
      3      -2.7541      1.00000
      4      -2.0298      1.00000
      5      -1.2788      1.00000
      6      -0.3616      1.00000
      7       0.5705      1.00052
      8       0.7163      1.00953
      9       1.9831     -0.00000
     10       3.2531     -0.00000
     11       3.9458     -0.00000
     12       4.2257     -0.00000

 k-point   278 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1      -4.0765      1.00000
      2      -4.0167      1.00000
      3      -2.7106      1.00000
      4      -2.6857      1.00000
      5      -1.0625      1.00000
      6      -0.3887      1.00000
      7      -0.1822      1.00000
      8       0.8286      1.03234
      9       2.5579     -0.00000
     10       2.7149     -0.00000
     11       3.4825     -0.00000
     12       5.0810     -0.00000

 k-point   279 :       0.3750   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0765      1.00000
      2      -4.0167      1.00000
      3      -2.7106      1.00000
      4      -2.6857      1.00000
      5      -1.0625      1.00000
      6      -0.3887      1.00000
      7      -0.1822      1.00000
      8       0.8286      1.03234
      9       2.5579     -0.00000
     10       2.7149     -0.00000
     11       3.4825     -0.00000
     12       5.0810     -0.00000

 k-point   280 :      -0.2500    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.0765      1.00000
      2      -4.0167      1.00000
      3      -2.7106      1.00000
      4      -2.6857      1.00000
      5      -1.0625      1.00000
      6      -0.3887      1.00000
      7      -0.1822      1.00000
      8       0.8286      1.03234
      9       2.5579     -0.00000
     10       2.7149     -0.00000
     11       3.4825     -0.00000
     12       5.0810     -0.00000

 k-point   281 :      -0.4167    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3006      1.00000
      2      -3.9129      1.00000
      3      -2.0059      1.00000
      4      -1.6108      1.00000
      5      -1.5616      1.00000
      6      -0.4360      1.00000
      7      -0.0825      1.00000
      8       0.9964      0.89088
      9       2.0668     -0.00000
     10       2.5313     -0.00000
     11       4.1730     -0.00000
     12       4.7449     -0.00000

 k-point   282 :       0.2917   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.3006      1.00000
      2      -3.9129      1.00000
      3      -2.0059      1.00000
      4      -1.6108      1.00000
      5      -1.5616      1.00000
      6      -0.4360      1.00000
      7      -0.0825      1.00000
      8       0.9964      0.89088
      9       2.0668     -0.00000
     10       2.5313     -0.00000
     11       4.1730     -0.00000
     12       4.7463     -0.00000

 k-point   283 :      -0.2917    0.2917    0.0000
  band No.  band energies     occupation 
      1      -5.3006      1.00000
      2      -3.9129      1.00000
      3      -2.0059      1.00000
      4      -1.6108      1.00000
      5      -1.5616      1.00000
      6      -0.4360      1.00000
      7      -0.0825      1.00000
      8       0.9964      0.89089
      9       2.0668     -0.00000
     10       2.5313     -0.00000
     11       4.1730     -0.00000
     12       4.7462     -0.00000

 k-point   284 :      -0.3750    0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   285 :       0.3333   -0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   286 :      -0.2917    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   287 :       0.3333   -0.2917    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   288 :      -0.2917    0.3750    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   289 :       0.3750   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.1511      1.00000
      2      -2.9118      1.00000
      3      -2.7810      1.00000
      4      -1.6904      1.00000
      5      -1.6453      1.00000
      6      -0.9407      1.00000
      7      -0.1971      1.00000
      8       0.4683      1.00003
      9       2.0940     -0.00000
     10       2.6521     -0.00000
     11       3.7017     -0.00000
     12       4.7798     -0.00000

 k-point   290 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0215      1.00000
      2      -2.9247      1.00000
      3      -2.9247      1.00000
      4      -1.6680      1.00000
      5      -1.6680      1.00000
      6      -1.6253      1.00000
      7       0.1143      1.00000
      8       0.1143      1.00000
      9       1.5726     -0.00231
     10       3.3786     -0.00000
     11       3.7576     -0.00000
     12       3.7576     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.138  13.895   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.895  23.718   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.003   0.000   1.878  -0.000   0.000   5.476  -0.000
 -0.000  -0.000   0.000  -0.000   1.877   0.000  -0.000   5.473
  0.000   0.000   5.473   0.000   0.000  15.814  -0.000   0.000
 -0.006  -0.010   0.000   5.476  -0.000  -0.000  15.822  -0.000
 -0.000  -0.000   0.000  -0.000   5.473   0.000  -0.000  15.814
 pseudopotential strength for first ion, spin component:           2
  8.138  13.895  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.895  23.718  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.877   0.000   0.000   5.473   0.000   0.000
 -0.002  -0.003   0.000   1.878   0.000   0.000   5.476   0.000
 -0.000  -0.000   0.000   0.000   1.877   0.000   0.000   5.473
 -0.000  -0.000   5.473   0.000   0.000  15.814   0.000   0.000
 -0.006  -0.010   0.000   5.476   0.000   0.000  15.822   0.000
 -0.000  -0.000   0.000   0.000   5.473   0.000   0.000  15.814
 total augmentation occupancy for first ion, spin component:           1
116.545 -62.238   0.000  -0.162  -0.000  -0.000  -0.010   0.000
-62.238  33.237  -0.000   0.076   0.000   0.000   0.007  -0.000
  0.000  -0.000   2.110  -0.000  -0.000  -0.327   0.000   0.000
 -0.162   0.076  -0.000   1.659  -0.000   0.000  -0.255   0.000
 -0.000   0.000  -0.000  -0.000   2.110   0.000   0.000  -0.327
 -0.000   0.000  -0.327   0.000   0.000   0.051  -0.000  -0.000
 -0.010   0.007   0.000  -0.255   0.000  -0.000   0.039  -0.000
  0.000  -0.000   0.000   0.000  -0.327  -0.000  -0.000   0.051
 total augmentation occupancy for first ion, spin component:           2
  0.002  -0.001  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.001   0.001   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


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


    FORLOC:  cpu time      0.0012: real time      0.0013
    FORHF :  cpu time   2854.5781: real time   2862.2715
    FORNL :  cpu time      0.3997: real time      0.4012
    FORCOR:  cpu time      1.3375: real time      1.3405
    OFIELD:  cpu time      0.0002: real time      0.0002

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      155.56
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 21.999318395     0.000000000  0.000000000  0.045455954

  length of vectors
     2.857459769  2.857459769 21.999318395     0.404100366  0.404100366  0.045455954


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.570E-05 0.531E-05 0.200E+03   0.445E-13 0.270E-13 -.199E+03   -.630E-05 -.562E-05 -.111E+01
   0.349E-05 0.515E-05 0.673E+02   -.150E-12 -.894E-13 -.672E+02   -.395E-05 -.559E-05 -.756E-03
   -.671E-05 -.109E-05 -.673E+02   0.150E-12 0.876E-13 0.672E+02   0.758E-05 0.153E-05 0.753E-03
   -.131E-04 0.145E-05 -.200E+03   -.442E-13 -.288E-13 0.199E+03   0.145E-04 -.195E-05 0.111E+01
 -----------------------------------------------------------------------------------------------
   -.135E-04 0.101E-04 0.403E-04   0.466E-15 -.363E-14 0.000E+00   0.118E-04 -.116E-04 -.545E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000001     -0.000000     -0.085786
      1.42873      0.82488      2.33311        -0.000000      0.000000      0.060035
      2.85746      1.64976      4.61621        -0.000000     -0.000000     -0.060034
      0.00000      0.00000      6.94932         0.000002      0.000000      0.085785
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000002      0.000036


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.94211835 eV

  energy  without entropy=      -10.94531802  energy(sigma->0) =      -10.94318491
 


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


    POTLOK:  cpu time      1.3355: real time      1.3385


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


 writing wavefunctions
     LOOP+:  cpu time  92286.4578: real time  92549.7000
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0   118921. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13930. kBytes
   fftplans  :       5088. kBytes
   grid      :       3656. kBytes
   one-center:          6. kBytes
   HF        :          4. kBytes
   nonlr-proj:        483. kBytes
   wavefun   :      63141. kBytes
   fock_wrk  :       2613. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    92297.266
                            User time (sec):    84966.946
                          System time (sec):     7330.316
                         Elapsed time (sec):    92561.122
  
                   Maximum memory used (kb):      388960.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       520693
                          Major page faults:            0
                 Voluntary context switches:          634
