! Pwscf input file created with pymatgen.py 
! Compound: CrAs
&control
         calculation     = 'bands'
         prefix          = 'CrAs'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            6.7519909586970002
         celldm(2)       =            1.5647914917436327
         celldm(3)       =            1.7150853624405260
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        8
         ntyp            =        2
         ecutwfc         =       49.00000000
         ecutrho         =      457.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Cr  51.9961 Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
408
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      0.50000000      -0.00000000       0.05769231 1.0 
      0.50000000       0.00000000       0.03846154 1.0 
      0.50000000       0.00000000       0.01923077 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.01923077 1.0 
      0.50000000       0.50000000       0.03846154 1.0 
      0.50000000       0.50000000       0.05769231 1.0 
      0.50000000       0.50000000       0.07692308 1.0 
      0.50000000       0.50000000       0.09615385 1.0 
      0.50000000       0.50000000       0.11538462 1.0 
      0.50000000       0.50000000       0.13461538 1.0 
      0.50000000       0.50000000       0.15384615 1.0 
      0.50000000       0.50000000       0.17307692 1.0 
      0.50000000       0.50000000       0.19230769 1.0 
      0.50000000       0.50000000       0.21153846 1.0 
      0.50000000       0.50000000       0.23076923 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.26923077 1.0 
      0.50000000       0.50000000       0.28846154 1.0 
      0.50000000       0.50000000       0.30769231 1.0 
      0.50000000       0.50000000       0.32692308 1.0 
      0.50000000       0.50000000       0.34615385 1.0 
      0.50000000       0.50000000       0.36538462 1.0 
      0.50000000       0.50000000       0.38461538 1.0 
      0.50000000       0.50000000       0.40384615 1.0 
      0.50000000       0.50000000       0.42307692 1.0 
      0.50000000       0.50000000       0.44230769 1.0 
      0.50000000       0.50000000       0.46153846 1.0 
      0.50000000       0.50000000       0.48076923 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

