! Pwscf input file created with ciftopw.py 
! Compound: CrF3
&control
         calculation     = 'bands'
         prefix          = 'CrF3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.7898833597165957
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5851470436049150
         celldm(5)       =            0.5851470436049150
         celldm(6)       =            0.5851470436049152
         nat             =        8
         ntyp            =        2
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
291
      0.00000000       0.00000000       0.00000000 1.0 
      0.01219512      -0.00000000       0.00000000 1.0 
      0.02439024      -0.00000000       0.00000000 1.0 
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      0.04878049      -0.00000000       0.00000000 1.0 
      0.06097561      -0.00000000       0.00000000 1.0 
      0.07317073       0.00000000       0.00000000 1.0 
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      0.50000000       0.15606626      -0.15606626 1.0 
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      0.61234020       0.50000000       0.38765980 1.0 
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      0.59736151       0.50000000       0.40263849 1.0 
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      0.56740412       0.50000000       0.43259588 1.0 
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      0.54493608       0.50000000       0.45506392 1.0 
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      0.52995739       0.50000000       0.47004261 1.0 
      0.52246804       0.50000000       0.47753196 1.0 
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      0.50748935       0.50000000       0.49251065 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.48611111       0.48611111       0.48611111 1.0 
      0.47222222       0.47222222       0.47222222 1.0 
      0.45833333       0.45833333       0.45833333 1.0 
      0.44444444       0.44444444       0.44444444 1.0 
      0.43055556       0.43055556       0.43055556 1.0 
      0.41666667       0.41666667       0.41666667 1.0 
      0.40277778       0.40277778       0.40277778 1.0 
      0.38888889       0.38888889       0.38888889 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.36111111       0.36111111       0.36111111 1.0 
      0.34722222       0.34722222       0.34722222 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.31944444       0.31944444       0.31944444 1.0 
      0.30555556       0.30555556       0.30555556 1.0 
      0.29166667       0.29166667       0.29166667 1.0 
      0.27777778       0.27777778       0.27777778 1.0 
      0.26388889       0.26388889       0.26388889 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23611111       0.23611111       0.23611111 1.0 
      0.22222222       0.22222222       0.22222222 1.0 
      0.20833333       0.20833333       0.20833333 1.0 
      0.19444444       0.19444444       0.19444444 1.0 
      0.18055556       0.18055556       0.18055556 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.15277778       0.15277778       0.15277778 1.0 
      0.13888889       0.13888889       0.13888889 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.11111111       0.11111111       0.11111111 1.0 
      0.09722222       0.09722222       0.09722222 1.0 
      0.08333333       0.08333333       0.08333333 1.0 
      0.06944444       0.06944444       0.06944444 1.0 
      0.05555556       0.05555556       0.05555556 1.0 
      0.04166667       0.04166667       0.04166667 1.0 
      0.02777778       0.02777778       0.02777778 1.0 
      0.01388889       0.01388889       0.01388889 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.16396365       0.00000000      -0.16396365 1.0 
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      0.62731889       0.37268111       0.00000000 1.0 
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      0.55392330       0.07303835       0.07303835 1.0 
      0.56470795       0.08764602       0.08764602 1.0 
      0.57549261       0.10225369       0.10225369 1.0 
      0.58627727       0.11686136       0.11686136 1.0 
      0.59706193       0.13146903       0.13146903 1.0 
      0.60784659       0.14607670       0.14607670 1.0 
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      0.62941591       0.17529205       0.17529205 1.0 
      0.64020057       0.18989972       0.18989972 1.0 
      0.65098523       0.20450739       0.20450739 1.0 
      0.66176989       0.21911506       0.21911506 1.0 
      0.67255454       0.23372273       0.23372273 1.0 
      0.68333920       0.24833040       0.24833040 1.0 
      0.69412386       0.26293807       0.26293807 1.0 
      0.70490852       0.27754574       0.27754574 1.0 
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      0.73726250       0.32136875       0.32136875 1.0 
      0.74804716       0.33597642       0.33597642 1.0 
      0.75883182       0.35058409       0.35058409 1.0 
      0.76961648       0.36519176       0.36519176 1.0 

