! Pwscf input file created with pymatgen.py 
! Compound: HgIBr
&control
         calculation     = 'bands'
         prefix          = 'HgIBr'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.2485359685567108
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            3.3512506792073578
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.3862570515014159
         nat             =        6
         ntyp            =        3
         ecutwfc         =       54.00000000
         ecutrho         =      416.00000000
         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
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I_MT_PBE_v_3_oleg_edit.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
328
      0.00000000       0.00000000       0.00000000 1.0 
      0.00767412       0.00767412       0.00000000 1.0 
      0.01534823       0.01534823       0.00000000 1.0 
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      0.04604470       0.04604470       0.00000000 1.0 
      0.05371881       0.05371881       0.00000000 1.0 
      0.06139293       0.06139293       0.00000000 1.0 
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      0.08441528       0.08441528       0.00000000 1.0 
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      0.09976351       0.09976351       0.00000000 1.0 
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      0.15348233       0.15348233       0.00000000 1.0 
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      0.35300935       0.35300935       0.00000000 1.0 
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      0.34533523       0.34533523       0.50000000 1.0 
      0.33766112       0.33766112       0.50000000 1.0 
      0.32998700       0.32998700       0.50000000 1.0 
      0.32231289       0.32231289       0.50000000 1.0 
      0.31463877       0.31463877       0.50000000 1.0 
      0.30696465       0.30696465       0.50000000 1.0 
      0.29929054       0.29929054       0.50000000 1.0 
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      0.27626819       0.27626819       0.50000000 1.0 
      0.26859407       0.26859407       0.50000000 1.0 
      0.26091996       0.26091996       0.50000000 1.0 
      0.25324584       0.25324584       0.50000000 1.0 
      0.24557172       0.24557172       0.50000000 1.0 
      0.23789761       0.23789761       0.50000000 1.0 
      0.23022349       0.23022349       0.50000000 1.0 
      0.22254937       0.22254937       0.50000000 1.0 
      0.21487526       0.21487526       0.50000000 1.0 
      0.20720114       0.20720114       0.50000000 1.0 
      0.19952702       0.19952702       0.50000000 1.0 
      0.19185291       0.19185291       0.50000000 1.0 
      0.18417879       0.18417879       0.50000000 1.0 
      0.17650468       0.17650468       0.50000000 1.0 
      0.16883056       0.16883056       0.50000000 1.0 
      0.16115644       0.16115644       0.50000000 1.0 
      0.15348233       0.15348233       0.50000000 1.0 
      0.14580821       0.14580821       0.50000000 1.0 
      0.13813409       0.13813409       0.50000000 1.0 
      0.13045998       0.13045998       0.50000000 1.0 
      0.12278586       0.12278586       0.50000000 1.0 
      0.11511174       0.11511174       0.50000000 1.0 
      0.10743763       0.10743763       0.50000000 1.0 
      0.09976351       0.09976351       0.50000000 1.0 
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      0.08441528       0.08441528       0.50000000 1.0 
      0.07674116       0.07674116       0.50000000 1.0 
      0.06906705       0.06906705       0.50000000 1.0 
      0.06139293       0.06139293       0.50000000 1.0 
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