! Pwscf input file created with ciftopw.py 
! Compound: CaSiF6
&control
         calculation     = 'bands'
         prefix          = 'CaSiF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.3573243277288043
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5236442838131596
         celldm(5)       =            0.5236442838131596
         celldm(6)       =            0.5236442838131599
         nat             =        8
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      317.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
266
      0.00000000       0.00000000       0.00000000 1.0 
      0.01388889       0.00000000       0.00000000 1.0 
      0.02777778       0.00000000       0.00000000 1.0 
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      0.05555556       0.00000000       0.00000000 1.0 
      0.06944444       0.00000000      -0.00000000 1.0 
      0.08333333       0.00000000      -0.00000000 1.0 
      0.09722222      -0.00000000      -0.00000000 1.0 
      0.11111111       0.00000000       0.00000000 1.0 
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      0.56600633       0.50000000       0.43399367 1.0 
      0.55775554       0.50000000       0.44224446 1.0 
      0.54950475       0.50000000       0.45049525 1.0 
      0.54125396       0.50000000       0.45874604 1.0 
      0.53300317       0.50000000       0.46699683 1.0 
      0.52475237       0.50000000       0.47524763 1.0 
      0.51650158       0.50000000       0.48349842 1.0 
      0.50825079       0.50000000       0.49174921 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.48571429       0.48571429 1.0 
      0.47142857       0.47142857       0.47142857 1.0 
      0.45714286       0.45714286       0.45714286 1.0 
      0.44285714       0.44285714       0.44285714 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41428571       0.41428571       0.41428571 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38571429       0.38571429       0.38571429 1.0 
      0.37142857       0.37142857       0.37142857 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34285714       0.34285714       0.34285714 1.0 
      0.32857143       0.32857143       0.32857143 1.0 
      0.31428571       0.31428571       0.31428571 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27142857       0.27142857       0.27142857 1.0 
      0.25714286       0.25714286       0.25714286 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00845711       0.00000000      -0.00845711 1.0 
      0.01691422       0.00000000      -0.01691422 1.0 
      0.02537132       0.00000000      -0.02537132 1.0 
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      0.05074265       0.00000000      -0.05074265 1.0 
      0.05919975       0.00000000      -0.05919975 1.0 
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      0.60390841       0.39609159      -0.00000000 1.0 
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      0.56394363       0.56394363       0.12211273 1.0 
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      0.72508159       0.32745920       0.32745920 1.0 
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      0.74554355       0.35722822       0.35722822 1.0 
      0.75577454       0.37211273       0.37211273 1.0 

