! Pwscf input file created with ciftopw.py 
! Compound: BaBr2
&control
         calculation     = 'bands'
         prefix          = 'BaBr2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.3654820014840006
         celldm(2)       =            1.6698950766747376
         celldm(3)       =            2.0014124293785311
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       12
         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
Ba 137.3270 Ba.rel-pbe-spn-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 
      0.01562500       0.00000000       0.00000000 1.0 
      0.03125000       0.00000000       0.00000000 1.0 
      0.04687500       0.00000000       0.00000000 1.0 
      0.06250000       0.00000000       0.00000000 1.0 
      0.07812500       0.00000000       0.00000000 1.0 
      0.09375000       0.00000000       0.00000000 1.0 
      0.10937500       0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.14062500       0.00000000       0.00000000 1.0 
      0.15625000       0.00000000       0.00000000 1.0 
      0.17187500       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20312500       0.00000000       0.00000000 1.0 
      0.21875000       0.00000000       0.00000000 1.0 
      0.23437500       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26562500       0.00000000       0.00000000 1.0 
      0.28125000       0.00000000       0.00000000 1.0 
      0.29687500       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000       0.00000000 1.0 
      0.32812500       0.00000000       0.00000000 1.0 
      0.34375000       0.00000000       0.00000000 1.0 
      0.35937500       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.39062500      -0.00000000       0.00000000 1.0 
      0.40625000       0.00000000       0.00000000 1.0 
      0.42187500      -0.00000000       0.00000000 1.0 
      0.43750000       0.00000000       0.00000000 1.0 
      0.45312500       0.00000000       0.00000000 1.0 
      0.46875000       0.00000000       0.00000000 1.0 
      0.48437500       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.02631579       0.00000000 1.0 
      0.50000000       0.05263158       0.00000000 1.0 
      0.50000000       0.07894737       0.00000000 1.0 
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      0.50000000       0.13157895       0.00000000 1.0 
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      0.50000000       0.21052632       0.00000000 1.0 
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      0.50000000       0.26315789       0.00000000 1.0 
      0.50000000       0.28947368       0.00000000 1.0 
      0.50000000       0.31578947       0.00000000 1.0 
      0.50000000       0.34210526       0.00000000 1.0 
      0.50000000       0.36842105       0.00000000 1.0 
      0.50000000       0.39473684       0.00000000 1.0 
      0.50000000       0.42105263       0.00000000 1.0 
      0.50000000       0.44736842       0.00000000 1.0 
      0.50000000       0.47368421       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48437500       0.50000000       0.00000000 1.0 
      0.46875000       0.50000000       0.00000000 1.0 
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      0.42187500       0.50000000       0.00000000 1.0 
      0.40625000       0.50000000       0.00000000 1.0 
      0.39062500       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.35937500       0.50000000       0.00000000 1.0 
      0.34375000       0.50000000       0.00000000 1.0 
      0.32812500       0.50000000       0.00000000 1.0 
      0.31250000       0.50000000       0.00000000 1.0 
      0.29687500       0.50000000       0.00000000 1.0 
      0.28125000       0.50000000       0.00000000 1.0 
      0.26562500       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.23437500       0.50000000       0.00000000 1.0 
      0.21875000       0.50000000       0.00000000 1.0 
      0.20312500       0.50000000       0.00000000 1.0 
      0.18750000       0.50000000       0.00000000 1.0 
      0.17187500       0.50000000       0.00000000 1.0 
      0.15625000       0.50000000       0.00000000 1.0 
      0.14062500       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.10937500       0.50000000       0.00000000 1.0 
      0.09375000       0.50000000       0.00000000 1.0 
      0.07812500       0.50000000       0.00000000 1.0 
      0.06250000       0.50000000       0.00000000 1.0 
      0.04687500       0.50000000       0.00000000 1.0 
      0.03125000       0.50000000       0.00000000 1.0 
      0.01562500       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.47368421       0.00000000 1.0 
      0.00000000       0.44736842       0.00000000 1.0 
      0.00000000       0.42105263       0.00000000 1.0 
      0.00000000       0.39473684       0.00000000 1.0 
      0.00000000       0.36842105       0.00000000 1.0 
      0.00000000       0.34210526       0.00000000 1.0 
      0.00000000       0.31578947       0.00000000 1.0 
      0.00000000       0.28947368       0.00000000 1.0 
      0.00000000       0.26315789       0.00000000 1.0 
      0.00000000       0.23684211       0.00000000 1.0 
      0.00000000       0.21052632       0.00000000 1.0 
      0.00000000       0.18421053       0.00000000 1.0 
      0.00000000       0.15789474       0.00000000 1.0 
      0.00000000       0.13157895       0.00000000 1.0 
      0.00000000       0.10526316       0.00000000 1.0 
      0.00000000       0.07894737       0.00000000 1.0 
      0.00000000       0.05263158       0.00000000 1.0 
      0.00000000       0.02631579       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.03125000 1.0 
      0.00000000      -0.00000000       0.06250000 1.0 
      0.00000000      -0.00000000       0.09375000 1.0 
      0.00000000      -0.00000000       0.12500000 1.0 
     -0.00000000      -0.00000000       0.15625000 1.0 
      0.00000000      -0.00000000       0.18750000 1.0 
     -0.00000000      -0.00000000       0.21875000 1.0 
      0.00000000      -0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
     -0.00000000      -0.00000000       0.31250000 1.0 
      0.00000000      -0.00000000       0.34375000 1.0 
      0.00000000      -0.00000000       0.37500000 1.0 
     -0.00000000      -0.00000000       0.40625000 1.0 
     -0.00000000      -0.00000000       0.43750000 1.0 
     -0.00000000      -0.00000000       0.46875000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.01562500      -0.00000000       0.50000000 1.0 
      0.03125000      -0.00000000       0.50000000 1.0 
      0.04687500      -0.00000000       0.50000000 1.0 
      0.06250000      -0.00000000       0.50000000 1.0 
      0.07812500      -0.00000000       0.50000000 1.0 
      0.09375000       0.00000000       0.50000000 1.0 
      0.10937500      -0.00000000       0.50000000 1.0 
      0.12500000      -0.00000000       0.50000000 1.0 
      0.14062500       0.00000000       0.50000000 1.0 
      0.15625000      -0.00000000       0.50000000 1.0 
      0.17187500       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.20312500       0.00000000       0.50000000 1.0 
      0.21875000      -0.00000000       0.50000000 1.0 
      0.23437500       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26562500       0.00000000       0.50000000 1.0 
      0.28125000       0.00000000       0.50000000 1.0 
      0.29687500      -0.00000000       0.50000000 1.0 
      0.31250000      -0.00000000       0.50000000 1.0 
      0.32812500       0.00000000       0.50000000 1.0 
      0.34375000       0.00000000       0.50000000 1.0 
      0.35937500      -0.00000000       0.50000000 1.0 
      0.37500000      -0.00000000       0.50000000 1.0 
      0.39062500      -0.00000000       0.50000000 1.0 
      0.40625000       0.00000000       0.50000000 1.0 
      0.42187500      -0.00000000       0.50000000 1.0 
      0.43750000      -0.00000000       0.50000000 1.0 
      0.45312500      -0.00000000       0.50000000 1.0 
      0.46875000       0.00000000       0.50000000 1.0 
      0.48437500       0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000       0.02631579       0.50000000 1.0 
      0.50000000       0.05263158       0.50000000 1.0 
      0.50000000       0.07894737       0.50000000 1.0 
      0.50000000       0.10526316       0.50000000 1.0 
      0.50000000       0.13157895       0.50000000 1.0 
      0.50000000       0.15789474       0.50000000 1.0 
      0.50000000       0.18421053       0.50000000 1.0 
      0.50000000       0.21052632       0.50000000 1.0 
      0.50000000       0.23684211       0.50000000 1.0 
      0.50000000       0.26315789       0.50000000 1.0 
      0.50000000       0.28947368       0.50000000 1.0 
      0.50000000       0.31578947       0.50000000 1.0 
      0.50000000       0.34210526       0.50000000 1.0 
      0.50000000       0.36842105       0.50000000 1.0 
      0.50000000       0.39473684       0.50000000 1.0 
      0.50000000       0.42105263       0.50000000 1.0 
      0.50000000       0.44736842       0.50000000 1.0 
      0.50000000       0.47368421       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48437500       0.50000000       0.50000000 1.0 
      0.46875000       0.50000000       0.50000000 1.0 
      0.45312500       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.42187500       0.50000000       0.50000000 1.0 
      0.40625000       0.50000000       0.50000000 1.0 
      0.39062500       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.35937500       0.50000000       0.50000000 1.0 
      0.34375000       0.50000000       0.50000000 1.0 
      0.32812500       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.29687500       0.50000000       0.50000000 1.0 
      0.28125000       0.50000000       0.50000000 1.0 
      0.26562500       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.23437500       0.50000000       0.50000000 1.0 
      0.21875000       0.50000000       0.50000000 1.0 
      0.20312500       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.17187500       0.50000000       0.50000000 1.0 
      0.15625000       0.50000000       0.50000000 1.0 
      0.14062500       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.10937500       0.50000000       0.50000000 1.0 
      0.09375000       0.50000000       0.50000000 1.0 
      0.07812500       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.04687500       0.50000000       0.50000000 1.0 
      0.03125000       0.50000000       0.50000000 1.0 
      0.01562500       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.00000000       0.47368421       0.50000000 1.0 
      0.00000000       0.44736842       0.50000000 1.0 
      0.00000000       0.42105263       0.50000000 1.0 
      0.00000000       0.39473684       0.50000000 1.0 
      0.00000000       0.36842105       0.50000000 1.0 
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      0.00000000       0.31578947       0.50000000 1.0 
      0.00000000       0.28947368       0.50000000 1.0 
      0.00000000       0.26315789       0.50000000 1.0 
      0.00000000       0.23684211       0.50000000 1.0 
      0.00000000       0.21052632       0.50000000 1.0 
      0.00000000       0.18421053       0.50000000 1.0 
      0.00000000       0.15789474       0.50000000 1.0 
      0.00000000       0.13157895       0.50000000 1.0 
      0.00000000       0.10526316       0.50000000 1.0 
      0.00000000       0.07894737       0.50000000 1.0 
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      0.00000000       0.02631579       0.50000000 1.0 
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      0.00000000       0.50000000       0.09375000 1.0 
      0.00000000       0.50000000       0.12500000 1.0 
     -0.00000000       0.50000000       0.15625000 1.0 
      0.00000000       0.50000000       0.18750000 1.0 
     -0.00000000       0.50000000       0.21875000 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.28125000 1.0 
     -0.00000000       0.50000000       0.31250000 1.0 
      0.00000000       0.50000000       0.34375000 1.0 
      0.00000000       0.50000000       0.37500000 1.0 
     -0.00000000       0.50000000       0.40625000 1.0 
     -0.00000000       0.50000000       0.43750000 1.0 
     -0.00000000       0.50000000       0.46875000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000      -0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000      -0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000      -0.00000000       0.25000000 1.0 
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      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000      -0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
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      0.50000000       0.50000000       0.06250000 1.0 
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      0.50000000       0.50000000       0.15625000 1.0 
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      0.50000000       0.50000000       0.40625000 1.0 
      0.50000000       0.50000000       0.43750000 1.0 
      0.50000000       0.50000000       0.46875000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

