! Pwscf input file created with ciftopw.py 
! Compound: CrAs2
&control
         calculation     = 'bands'
         prefix          = 'CrAs2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.9536913429663230
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.5594892428015115
         celldm(4)       =            0.4675259834110751
         celldm(5)       =            0.4675259834110751
         celldm(6)       =            0.7614082357177351
         nat             =        6
         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 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
411
      0.00000000       0.00000000       0.00000000 1.0 
      0.01219512       0.01219512       0.00000000 1.0 
      0.02439024       0.02439024       0.00000000 1.0 
      0.03658537       0.03658537      -0.00000000 1.0 
      0.04878049       0.04878049       0.00000000 1.0 
      0.06097561       0.06097561       0.00000000 1.0 
      0.07317073       0.07317073      -0.00000000 1.0 
      0.08536585       0.08536585       0.00000000 1.0 
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      0.10975610       0.10975610       0.00000000 1.0 
      0.12195122       0.12195122       0.00000000 1.0 
      0.13414634       0.13414634       0.00000000 1.0 
      0.14634146       0.14634146      -0.00000000 1.0 
      0.15853659       0.15853659       0.00000000 1.0 
      0.17073171       0.17073171       0.00000000 1.0 
      0.18292683       0.18292683       0.00000000 1.0 
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      0.25609756       0.25609756       0.00000000 1.0 
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      0.52745683       0.52745683       0.09158555 1.0 
      0.53432103       0.53432103       0.11448194 1.0 
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      0.53268670       0.53268670       0.13283994 1.0 
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      0.52614936       0.52614936       0.20627195 1.0 
      0.52451502       0.52451502       0.22462995 1.0 
      0.52288069       0.52288069       0.24298796 1.0 
      0.52124635       0.52124635       0.26134596 1.0 
      0.51961202       0.51961202       0.27970396 1.0 
      0.51797768       0.51797768       0.29806197 1.0 
      0.51634335       0.51634335       0.31641997 1.0 
      0.51470901       0.51470901       0.33477797 1.0 
      0.51307468       0.51307468       0.35313598 1.0 
      0.51144034       0.51144034       0.37149398 1.0 
      0.50980601       0.50980601       0.38985198 1.0 
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      0.50490300       0.50490300       0.44492599 1.0 
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      0.50163433       0.50163433       0.48164200 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.72680954       0.27319046       0.50000000 1.0 
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      0.26803569      -0.26803569       0.50000000 1.0 
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      0.25772663      -0.25772663       0.50000000 1.0 
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      0.20618130      -0.20618130       0.50000000 1.0 
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