! Pwscf input file created with ciftopw.py 
! Compound: BaHI
&control
         calculation     = 'bands'
         prefix          = 'BaHI'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.1235970748920003
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.6294531897265947
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        6
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      222.00000000
         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 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
295
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01515152       0.00000000 1.0 
      0.00000000       0.03030303       0.00000000 1.0 
      0.00000000       0.04545455       0.00000000 1.0 
      0.00000000       0.06060606       0.00000000 1.0 
      0.00000000       0.07575758       0.00000000 1.0 
      0.00000000       0.09090909       0.00000000 1.0 
      0.00000000       0.10606061       0.00000000 1.0 
      0.00000000       0.12121212       0.00000000 1.0 
      0.00000000       0.13636364       0.00000000 1.0 
      0.00000000       0.15151515       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.18181818       0.00000000 1.0 
      0.00000000       0.19696970       0.00000000 1.0 
      0.00000000       0.21212121       0.00000000 1.0 
      0.00000000       0.22727273       0.00000000 1.0 
      0.00000000       0.24242424       0.00000000 1.0 
      0.00000000       0.25757576       0.00000000 1.0 
      0.00000000       0.27272727       0.00000000 1.0 
      0.00000000       0.28787879       0.00000000 1.0 
      0.00000000       0.30303030       0.00000000 1.0 
      0.00000000       0.31818182       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
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      0.00000000       0.40909091       0.00000000 1.0 
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      0.00000000       0.50000000       0.00000000 1.0 
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      0.01515152       0.50000000       0.00000000 1.0 
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      0.15151515       0.50000000       0.00000000 1.0 
      0.16666667       0.50000000       0.00000000 1.0 
      0.18181818       0.50000000       0.00000000 1.0 
      0.19696970       0.50000000       0.00000000 1.0 
      0.21212121       0.50000000       0.00000000 1.0 
      0.22727273       0.50000000       0.00000000 1.0 
      0.24242424       0.50000000       0.00000000 1.0 
      0.25757576       0.50000000       0.00000000 1.0 
      0.27272727       0.50000000       0.00000000 1.0 
      0.28787879       0.50000000       0.00000000 1.0 
      0.30303030       0.50000000       0.00000000 1.0 
      0.31818182       0.50000000       0.00000000 1.0 
      0.33333333       0.50000000       0.00000000 1.0 
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      0.36363636       0.50000000       0.00000000 1.0 
      0.37878788       0.50000000       0.00000000 1.0 
      0.39393939       0.50000000       0.00000000 1.0 
      0.40909091       0.50000000       0.00000000 1.0 
      0.42424242       0.50000000       0.00000000 1.0 
      0.43939394       0.50000000       0.00000000 1.0 
      0.45454545       0.50000000       0.00000000 1.0 
      0.46969697       0.50000000       0.00000000 1.0 
      0.48484848       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.48936170       0.48936170       0.00000000 1.0 
      0.47872340       0.47872340       0.00000000 1.0 
      0.46808511       0.46808511       0.00000000 1.0 
      0.45744681       0.45744681       0.00000000 1.0 
      0.44680851       0.44680851       0.00000000 1.0 
      0.43617021       0.43617021       0.00000000 1.0 
      0.42553191       0.42553191       0.00000000 1.0 
      0.41489362       0.41489362       0.00000000 1.0 
      0.40425532       0.40425532       0.00000000 1.0 
      0.39361702       0.39361702       0.00000000 1.0 
      0.38297872       0.38297872       0.00000000 1.0 
      0.37234043       0.37234043       0.00000000 1.0 
      0.36170213       0.36170213       0.00000000 1.0 
      0.35106383       0.35106383       0.00000000 1.0 
      0.34042553       0.34042553       0.00000000 1.0 
      0.32978723       0.32978723       0.00000000 1.0 
      0.31914894       0.31914894       0.00000000 1.0 
      0.30851064       0.30851064       0.00000000 1.0 
      0.29787234       0.29787234       0.00000000 1.0 
      0.28723404       0.28723404       0.00000000 1.0 
      0.27659574       0.27659574       0.00000000 1.0 
      0.26595745       0.26595745       0.00000000 1.0 
      0.25531915       0.25531915       0.00000000 1.0 
      0.24468085       0.24468085       0.00000000 1.0 
      0.23404255       0.23404255       0.00000000 1.0 
      0.22340426       0.22340426       0.00000000 1.0 
      0.21276596       0.21276596       0.00000000 1.0 
      0.20212766       0.20212766       0.00000000 1.0 
      0.19148936       0.19148936       0.00000000 1.0 
      0.18085106       0.18085106       0.00000000 1.0 
      0.17021277       0.17021277       0.00000000 1.0 
      0.15957447       0.15957447       0.00000000 1.0 
      0.14893617       0.14893617       0.00000000 1.0 
      0.13829787       0.13829787       0.00000000 1.0 
      0.12765957       0.12765957       0.00000000 1.0 
      0.11702128       0.11702128       0.00000000 1.0 
      0.10638298       0.10638298       0.00000000 1.0 
      0.09574468       0.09574468       0.00000000 1.0 
      0.08510638       0.08510638       0.00000000 1.0 
      0.07446809       0.07446809       0.00000000 1.0 
      0.06382979       0.06382979       0.00000000 1.0 
      0.05319149       0.05319149       0.00000000 1.0 
      0.04255319       0.04255319       0.00000000 1.0 
      0.03191489       0.03191489       0.00000000 1.0 
      0.02127660       0.02127660       0.00000000 1.0 
      0.01063830       0.01063830       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.02500000 1.0 
      0.00000000      -0.00000000       0.05000000 1.0 
     -0.00000000       0.00000000       0.07500000 1.0 
      0.00000000      -0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
     -0.00000000       0.00000000       0.15000000 1.0 
     -0.00000000      -0.00000000       0.17500000 1.0 
      0.00000000      -0.00000000       0.20000000 1.0 
     -0.00000000      -0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.27500000 1.0 
     -0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32500000 1.0 
     -0.00000000      -0.00000000       0.35000000 1.0 
     -0.00000000      -0.00000000       0.37500000 1.0 
      0.00000000      -0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.42500000 1.0 
     -0.00000000      -0.00000000       0.45000000 1.0 
      0.00000000       0.00000000       0.47500000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01515152       0.50000000 1.0 
      0.00000000       0.03030303       0.50000000 1.0 
      0.00000000       0.04545455       0.50000000 1.0 
      0.00000000       0.06060606       0.50000000 1.0 
      0.00000000       0.07575758       0.50000000 1.0 
      0.00000000       0.09090909       0.50000000 1.0 
      0.00000000       0.10606061       0.50000000 1.0 
      0.00000000       0.12121212       0.50000000 1.0 
      0.00000000       0.13636364       0.50000000 1.0 
      0.00000000       0.15151515       0.50000000 1.0 
      0.00000000       0.16666667       0.50000000 1.0 
      0.00000000       0.18181818       0.50000000 1.0 
      0.00000000       0.19696970       0.50000000 1.0 
      0.00000000       0.21212121       0.50000000 1.0 
      0.00000000       0.22727273       0.50000000 1.0 
      0.00000000       0.24242424       0.50000000 1.0 
      0.00000000       0.25757576       0.50000000 1.0 
      0.00000000       0.27272727       0.50000000 1.0 
      0.00000000       0.28787879       0.50000000 1.0 
      0.00000000       0.30303030       0.50000000 1.0 
      0.00000000       0.31818182       0.50000000 1.0 
      0.00000000       0.33333333       0.50000000 1.0 
      0.00000000       0.34848485       0.50000000 1.0 
      0.00000000       0.36363636       0.50000000 1.0 
      0.00000000       0.37878788       0.50000000 1.0 
      0.00000000       0.39393939       0.50000000 1.0 
      0.00000000       0.40909091       0.50000000 1.0 
      0.00000000       0.42424242       0.50000000 1.0 
      0.00000000       0.43939394       0.50000000 1.0 
      0.00000000       0.45454545       0.50000000 1.0 
      0.00000000       0.46969697       0.50000000 1.0 
      0.00000000       0.48484848       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.01515152       0.50000000       0.50000000 1.0 
      0.03030303       0.50000000       0.50000000 1.0 
      0.04545455       0.50000000       0.50000000 1.0 
      0.06060606       0.50000000       0.50000000 1.0 
      0.07575758       0.50000000       0.50000000 1.0 
      0.09090909       0.50000000       0.50000000 1.0 
      0.10606061       0.50000000       0.50000000 1.0 
      0.12121212       0.50000000       0.50000000 1.0 
      0.13636364       0.50000000       0.50000000 1.0 
      0.15151515       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.18181818       0.50000000       0.50000000 1.0 
      0.19696970       0.50000000       0.50000000 1.0 
      0.21212121       0.50000000       0.50000000 1.0 
      0.22727273       0.50000000       0.50000000 1.0 
      0.24242424       0.50000000       0.50000000 1.0 
      0.25757576       0.50000000       0.50000000 1.0 
      0.27272727       0.50000000       0.50000000 1.0 
      0.28787879       0.50000000       0.50000000 1.0 
      0.30303030       0.50000000       0.50000000 1.0 
      0.31818182       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.34848485       0.50000000       0.50000000 1.0 
      0.36363636       0.50000000       0.50000000 1.0 
      0.37878788       0.50000000       0.50000000 1.0 
      0.39393939       0.50000000       0.50000000 1.0 
      0.40909091       0.50000000       0.50000000 1.0 
      0.42424242       0.50000000       0.50000000 1.0 
      0.43939394       0.50000000       0.50000000 1.0 
      0.45454545       0.50000000       0.50000000 1.0 
      0.46969697       0.50000000       0.50000000 1.0 
      0.48484848       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48936170       0.48936170       0.50000000 1.0 
      0.47872340       0.47872340       0.50000000 1.0 
      0.46808511       0.46808511       0.50000000 1.0 
      0.45744681       0.45744681       0.50000000 1.0 
      0.44680851       0.44680851       0.50000000 1.0 
      0.43617021       0.43617021       0.50000000 1.0 
      0.42553191       0.42553191       0.50000000 1.0 
      0.41489362       0.41489362       0.50000000 1.0 
      0.40425532       0.40425532       0.50000000 1.0 
      0.39361702       0.39361702       0.50000000 1.0 
      0.38297872       0.38297872       0.50000000 1.0 
      0.37234043       0.37234043       0.50000000 1.0 
      0.36170213       0.36170213       0.50000000 1.0 
      0.35106383       0.35106383       0.50000000 1.0 
      0.34042553       0.34042553       0.50000000 1.0 
      0.32978723       0.32978723       0.50000000 1.0 
      0.31914894       0.31914894       0.50000000 1.0 
      0.30851064       0.30851064       0.50000000 1.0 
      0.29787234       0.29787234       0.50000000 1.0 
      0.28723404       0.28723404       0.50000000 1.0 
      0.27659574       0.27659574       0.50000000 1.0 
      0.26595745       0.26595745       0.50000000 1.0 
      0.25531915       0.25531915       0.50000000 1.0 
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      0.23404255       0.23404255       0.50000000 1.0 
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      0.19148936       0.19148936       0.50000000 1.0 
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      0.17021277       0.17021277       0.50000000 1.0 
      0.15957447       0.15957447       0.50000000 1.0 
      0.14893617       0.14893617       0.50000000 1.0 
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      0.12765957       0.12765957       0.50000000 1.0 
      0.11702128       0.11702128       0.50000000 1.0 
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      0.09574468       0.09574468       0.50000000 1.0 
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      0.01063830       0.01063830       0.50000000 1.0 
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     -0.00000000       0.50000000       0.37500000 1.0 
      0.00000000       0.50000000       0.40000000 1.0 
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      0.00000000       0.50000000       0.47500000 1.0 
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      0.50000000       0.50000000       0.42500000 1.0 
      0.50000000       0.50000000       0.45000000 1.0 
      0.50000000       0.50000000       0.47500000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

