! Pwscf input file created with ciftopw.py 
! Compound: Ba(ZnAs)2
&control
         calculation     = 'bands'
         prefix          = 'BaxZnAsx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.0237765492940003
         celldm(2)       =            2.3575129533678756
         celldm(3)       =            2.5694771549693831
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      276.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zn  65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
284
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351       0.00000000       0.00000000 1.0 
      0.02702703       0.00000000       0.00000000 1.0 
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      0.00000000       0.31250000       0.00000000 1.0 
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      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.21875000       0.00000000 1.0 
      0.00000000       0.18750000       0.00000000 1.0 
      0.00000000       0.15625000       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
      0.00000000       0.09375000       0.00000000 1.0 
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      0.00000000       0.00000000       0.06666667 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.13333333 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.23333333 1.0 
      0.00000000       0.00000000       0.26666667 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
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      0.00000000       0.00000000       0.40000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.20270270      -0.00000000       0.50000000 1.0 
      0.21621622       0.00000000       0.50000000 1.0 
      0.22972973       0.00000000       0.50000000 1.0 
      0.24324324      -0.00000000       0.50000000 1.0 
      0.25675676       0.00000000       0.50000000 1.0 
      0.27027027      -0.00000000       0.50000000 1.0 
      0.28378378      -0.00000000       0.50000000 1.0 
      0.29729730      -0.00000000       0.50000000 1.0 
      0.31081081      -0.00000000       0.50000000 1.0 
      0.32432432      -0.00000000       0.50000000 1.0 
      0.33783784      -0.00000000       0.50000000 1.0 
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      0.36486486      -0.00000000       0.50000000 1.0 
      0.37837838      -0.00000000       0.50000000 1.0 
      0.39189189       0.00000000       0.50000000 1.0 
      0.40540541      -0.00000000       0.50000000 1.0 
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      0.43243243      -0.00000000       0.50000000 1.0 
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      0.50000000       0.03125000       0.50000000 1.0 
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      0.50000000       0.09375000       0.50000000 1.0 
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      0.50000000       0.18750000       0.50000000 1.0 
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      0.39189189       0.50000000       0.50000000 1.0 
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      0.36486486       0.50000000       0.50000000 1.0 
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      0.33783784       0.50000000       0.50000000 1.0 
      0.32432432       0.50000000       0.50000000 1.0 
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      0.29729730       0.50000000       0.50000000 1.0 
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      0.18918919       0.50000000       0.50000000 1.0 
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      0.00000000       0.43750000       0.50000000 1.0 
      0.00000000       0.40625000       0.50000000 1.0 
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      0.00000000       0.34375000       0.50000000 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 

