! Pwscf input file created with ciftopw.py 
! Compound: AsBr3
&control
         calculation     = 'bands'
         prefix          = 'AsBr3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.1447190125899986
         celldm(2)       =            2.3549883990719263
         celldm(3)       =            2.8004640371229703
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      244.00000000
         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
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
280
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351      -0.00000000       0.00000000 1.0 
      0.02702703      -0.00000000       0.00000000 1.0 
      0.04054054       0.00000000       0.00000000 1.0 
      0.05405405      -0.00000000       0.00000000 1.0 
      0.06756757       0.00000000       0.00000000 1.0 
      0.08108108       0.00000000       0.00000000 1.0 
      0.09459459      -0.00000000       0.00000000 1.0 
      0.10810811      -0.00000000       0.00000000 1.0 
      0.12162162       0.00000000       0.00000000 1.0 
      0.13513514       0.00000000       0.00000000 1.0 
      0.14864865       0.00000000       0.00000000 1.0 
      0.16216216       0.00000000       0.00000000 1.0 
      0.17567568      -0.00000000       0.00000000 1.0 
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      0.20270270      -0.00000000       0.00000000 1.0 
      0.21621622      -0.00000000       0.00000000 1.0 
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      0.29729730       0.00000000       0.00000000 1.0 
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      0.32432432       0.00000000       0.00000000 1.0 
      0.33783784      -0.00000000       0.00000000 1.0 
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      0.50000000       0.31250000       0.00000000 1.0 
      0.50000000       0.34375000       0.00000000 1.0 
      0.50000000       0.37500000       0.00000000 1.0 
      0.50000000       0.40625000       0.00000000 1.0 
      0.50000000       0.43750000       0.00000000 1.0 
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      0.39189189       0.50000000       0.00000000 1.0 
      0.37837838       0.50000000       0.00000000 1.0 
      0.36486486       0.50000000       0.00000000 1.0 
      0.35135135       0.50000000       0.00000000 1.0 
      0.33783784       0.50000000       0.00000000 1.0 
      0.32432432       0.50000000       0.00000000 1.0 
      0.31081081       0.50000000       0.00000000 1.0 
      0.29729730       0.50000000       0.00000000 1.0 
      0.28378378       0.50000000       0.00000000 1.0 
      0.27027027       0.50000000       0.00000000 1.0 
      0.25675676       0.50000000       0.00000000 1.0 
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      0.21621622       0.50000000       0.00000000 1.0 
      0.20270270       0.50000000       0.00000000 1.0 
      0.18918919       0.50000000       0.00000000 1.0 
      0.17567568       0.50000000       0.00000000 1.0 
      0.16216216       0.50000000       0.00000000 1.0 
      0.14864865       0.50000000       0.00000000 1.0 
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      0.10810811       0.50000000       0.00000000 1.0 
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      0.06756757       0.50000000       0.00000000 1.0 
      0.05405405       0.50000000       0.00000000 1.0 
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      0.02702703       0.50000000       0.00000000 1.0 
      0.01351351       0.50000000       0.00000000 1.0 
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      0.00000000       0.46875000       0.00000000 1.0 
      0.00000000       0.43750000       0.00000000 1.0 
      0.00000000       0.40625000       0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.34375000       0.00000000 1.0 
      0.00000000       0.31250000       0.00000000 1.0 
      0.00000000       0.28125000       0.00000000 1.0 
      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 
      0.00000000       0.06250000       0.00000000 1.0 
      0.00000000       0.03125000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.03571429 1.0 
      0.00000000      -0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.10714286 1.0 
      0.00000000      -0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.17857143 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.39285714 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.46428571 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01351351       0.00000000       0.50000000 1.0 
      0.02702703      -0.00000000       0.50000000 1.0 
      0.04054054       0.00000000       0.50000000 1.0 
      0.05405405      -0.00000000       0.50000000 1.0 
      0.06756757      -0.00000000       0.50000000 1.0 
      0.08108108       0.00000000       0.50000000 1.0 
      0.09459459      -0.00000000       0.50000000 1.0 
      0.10810811      -0.00000000       0.50000000 1.0 
      0.12162162       0.00000000       0.50000000 1.0 
      0.13513514       0.00000000       0.50000000 1.0 
      0.14864865      -0.00000000       0.50000000 1.0 
      0.16216216      -0.00000000       0.50000000 1.0 
      0.17567568      -0.00000000       0.50000000 1.0 
      0.18918919      -0.00000000       0.50000000 1.0 
      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 
      0.35135135      -0.00000000       0.50000000 1.0 
      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 
      0.41891892      -0.00000000       0.50000000 1.0 
      0.43243243      -0.00000000       0.50000000 1.0 
      0.44594595      -0.00000000       0.50000000 1.0 
      0.45945946       0.00000000       0.50000000 1.0 
      0.47297297      -0.00000000       0.50000000 1.0 
      0.48648649       0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000       0.03125000       0.50000000 1.0 
      0.50000000       0.06250000       0.50000000 1.0 
      0.50000000       0.09375000       0.50000000 1.0 
      0.50000000       0.12500000       0.50000000 1.0 
      0.50000000       0.15625000       0.50000000 1.0 
      0.50000000       0.18750000       0.50000000 1.0 
      0.50000000       0.21875000       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
      0.50000000       0.28125000       0.50000000 1.0 
      0.50000000       0.31250000       0.50000000 1.0 
      0.50000000       0.34375000       0.50000000 1.0 
      0.50000000       0.37500000       0.50000000 1.0 
      0.50000000       0.40625000       0.50000000 1.0 
      0.50000000       0.43750000       0.50000000 1.0 
      0.50000000       0.46875000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48648649       0.50000000       0.50000000 1.0 
      0.47297297       0.50000000       0.50000000 1.0 
      0.45945946       0.50000000       0.50000000 1.0 
      0.44594595       0.50000000       0.50000000 1.0 
      0.43243243       0.50000000       0.50000000 1.0 
      0.41891892       0.50000000       0.50000000 1.0 
      0.40540541       0.50000000       0.50000000 1.0 
      0.39189189       0.50000000       0.50000000 1.0 
      0.37837838       0.50000000       0.50000000 1.0 
      0.36486486       0.50000000       0.50000000 1.0 
      0.35135135       0.50000000       0.50000000 1.0 
      0.33783784       0.50000000       0.50000000 1.0 
      0.32432432       0.50000000       0.50000000 1.0 
      0.31081081       0.50000000       0.50000000 1.0 
      0.29729730       0.50000000       0.50000000 1.0 
      0.28378378       0.50000000       0.50000000 1.0 
      0.27027027       0.50000000       0.50000000 1.0 
      0.25675676       0.50000000       0.50000000 1.0 
      0.24324324       0.50000000       0.50000000 1.0 
      0.22972973       0.50000000       0.50000000 1.0 
      0.21621622       0.50000000       0.50000000 1.0 
      0.20270270       0.50000000       0.50000000 1.0 
      0.18918919       0.50000000       0.50000000 1.0 
      0.17567568       0.50000000       0.50000000 1.0 
      0.16216216       0.50000000       0.50000000 1.0 
      0.14864865       0.50000000       0.50000000 1.0 
      0.13513514       0.50000000       0.50000000 1.0 
      0.12162162       0.50000000       0.50000000 1.0 
      0.10810811       0.50000000       0.50000000 1.0 
      0.09459459       0.50000000       0.50000000 1.0 
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      0.06756757       0.50000000       0.50000000 1.0 
      0.05405405       0.50000000       0.50000000 1.0 
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      0.02702703       0.50000000       0.50000000 1.0 
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      0.00000000       0.46875000       0.50000000 1.0 
      0.00000000       0.43750000       0.50000000 1.0 
      0.00000000       0.40625000       0.50000000 1.0 
      0.00000000       0.37500000       0.50000000 1.0 
      0.00000000       0.34375000       0.50000000 1.0 
      0.00000000       0.31250000       0.50000000 1.0 
      0.00000000       0.28125000       0.50000000 1.0 
      0.00000000       0.25000000       0.50000000 1.0 
      0.00000000       0.21875000       0.50000000 1.0 
      0.00000000       0.18750000       0.50000000 1.0 
      0.00000000       0.15625000       0.50000000 1.0 
      0.00000000       0.12500000       0.50000000 1.0 
      0.00000000       0.09375000       0.50000000 1.0 
      0.00000000       0.06250000       0.50000000 1.0 
      0.00000000       0.03125000       0.50000000 1.0 
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      0.00000000       0.50000000       0.14285714 1.0 
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      0.00000000       0.50000000       0.25000000 1.0 
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      0.00000000       0.50000000       0.42857143 1.0 
      0.00000000       0.50000000       0.46428571 1.0 
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      0.50000000      -0.00000000       0.39285714 1.0 
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      0.50000000      -0.00000000       0.21428571 1.0 
      0.50000000       0.00000000       0.17857143 1.0 
      0.50000000      -0.00000000       0.14285714 1.0 
      0.50000000      -0.00000000       0.10714286 1.0 
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      0.50000000       0.50000000       0.39285714 1.0 
      0.50000000       0.50000000       0.42857143 1.0 
      0.50000000       0.50000000       0.46428571 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

