! Pwscf input file created with pymatgen.py 
! Compound: GaAsO4
&control
         calculation     = 'bands'
         prefix          = 'GaAsO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.4529034976358250
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4189022399307909
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.0042548487498682
         nat             =       12
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
350
      0.00000000       0.00000000       0.00000000 1.0 
      0.01106404       0.01106404       0.00000000 1.0 
      0.02212807       0.02212807       0.00000000 1.0 
      0.03319211       0.03319211       0.00000000 1.0 
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      0.05532018       0.05532018       0.00000000 1.0 
      0.06638421       0.06638421       0.00000000 1.0 
      0.07744825       0.07744825       0.00000000 1.0 
      0.08851228       0.08851228       0.00000000 1.0 
      0.09957632       0.09957632       0.00000000 1.0 
      0.11064035       0.11064035       0.00000000 1.0 
      0.12170439       0.12170439       0.00000000 1.0 
      0.13276842       0.13276842       0.00000000 1.0 
      0.14383246       0.14383246       0.00000000 1.0 
      0.15489649       0.15489649       0.00000000 1.0 
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      0.19915264       0.19915264       0.00000000 1.0 
      0.21021667       0.21021667       0.00000000 1.0 
      0.22128071       0.22128071       0.00000000 1.0 
      0.23234474       0.23234474       0.00000000 1.0 
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      0.45362545       0.45362545       0.00000000 1.0 
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      0.48232279       0.49794779       0.00000000 1.0 
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      0.37341119       0.49841119       0.00000000 1.0 
      0.35785239       0.49847739       0.00000000 1.0 
      0.34229359       0.49854359       0.00000000 1.0 
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      0.29561719       0.49874219       0.00000000 1.0 
      0.28005839       0.49880839       0.00000000 1.0 
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      0.04667640       0.49980140       0.50000000 1.0 
      0.06223520       0.49973520       0.50000000 1.0 
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      0.12447040       0.49947040       0.50000000 1.0 
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      0.20226440       0.49913940       0.50000000 1.0 
      0.21782320       0.49907320       0.50000000 1.0 
      0.23338199       0.49900699       0.50000000 1.0 
      0.24894079       0.49894079       0.50000000 1.0 
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      0.28005839       0.49880839       0.50000000 1.0 
      0.29561719       0.49874219       0.50000000 1.0 
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      0.37341119       0.49841119       0.50000000 1.0 
      0.38896999       0.49834499       0.50000000 1.0 
      0.40452879       0.49827879       0.50000000 1.0 
      0.42008759       0.49821259       0.50000000 1.0 
      0.43564639       0.49814639       0.50000000 1.0 
      0.45120519       0.49808019       0.50000000 1.0 
      0.46676399       0.49801399       0.50000000 1.0 
      0.48232279       0.49794779       0.50000000 1.0 
      0.49788159       0.49788159       0.50000000 1.0 
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      0.48681755       0.48681755       0.50000000 1.0 
      0.47575352       0.47575352       0.50000000 1.0 
      0.46468948       0.46468948       0.50000000 1.0 
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      0.42043334       0.42043334       0.50000000 1.0 
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      0.39830527       0.39830527       0.50000000 1.0 
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      0.34298509       0.34298509       0.50000000 1.0 
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      0.32085702       0.32085702       0.50000000 1.0 
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     -0.46666667       0.46666667       0.50000000 1.0 
     -0.47777778       0.47777778       0.50000000 1.0 
     -0.48888889       0.48888889       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

