! Pwscf input file created with pymatgen.py 
! Compound: BiI3
&control
         calculation     = 'bands'
         prefix          = 'BiI3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.3125696737919998
         celldm(2)       =            1.1497564935064937
         celldm(3)       =            1.8703327922077924
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        2
         ecutwfc         =       54.00000000
         ecutrho         =      216.00000000
         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
Bi 208.9804 Bi_MT_PBE.UPF 
 I 126.9045 I_MT_PBE_v_3_oleg_edit.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
324
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      0.01562500       0.00000000       0.00000000 1.0 
      0.03125000       0.00000000       0.00000000 1.0 
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      0.07812500      -0.00000000       0.00000000 1.0 
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      0.37500000       0.50000000       0.00000000 1.0 
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      0.00000000       0.12500000       0.00000000 1.0 
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      0.00000000       0.00000000       0.08333333 1.0 
     -0.00000000       0.00000000       0.11111111 1.0 
      0.00000000      -0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
     -0.00000000      -0.00000000       0.19444444 1.0 
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      0.00000000      -0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.27777778 1.0 
     -0.00000000      -0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
     -0.00000000       0.00000000       0.36111111 1.0 
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      0.00000000       0.00000000       0.41666667 1.0 
     -0.00000000       0.00000000       0.44444444 1.0 
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      0.01562500      -0.00000000       0.50000000 1.0 
      0.03125000      -0.00000000       0.50000000 1.0 
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      0.06250000       0.00000000       0.50000000 1.0 
      0.07812500      -0.00000000       0.50000000 1.0 
      0.09375000       0.00000000       0.50000000 1.0 
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      0.12500000       0.00000000       0.50000000 1.0 
      0.14062500       0.00000000       0.50000000 1.0 
      0.15625000      -0.00000000       0.50000000 1.0 
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      0.18750000      -0.00000000       0.50000000 1.0 
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      0.21875000       0.00000000       0.50000000 1.0 
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      0.26562500      -0.00000000       0.50000000 1.0 
      0.28125000       0.00000000       0.50000000 1.0 
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      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 
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      0.50000000       0.08928571       0.50000000 1.0 
      0.50000000       0.10714286       0.50000000 1.0 
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      0.50000000       0.16071429       0.50000000 1.0 
      0.50000000       0.17857143       0.50000000 1.0 
      0.50000000       0.19642857       0.50000000 1.0 
      0.50000000       0.21428571       0.50000000 1.0 
      0.50000000       0.23214286       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
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      0.50000000       0.28571429       0.50000000 1.0 
      0.50000000       0.30357143       0.50000000 1.0 
      0.50000000       0.32142857       0.50000000 1.0 
      0.50000000       0.33928571       0.50000000 1.0 
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      0.50000000       0.37500000       0.50000000 1.0 
      0.50000000       0.39285714       0.50000000 1.0 
      0.50000000       0.41071429       0.50000000 1.0 
      0.50000000       0.42857143       0.50000000 1.0 
      0.50000000       0.44642857       0.50000000 1.0 
      0.50000000       0.46428571       0.50000000 1.0 
      0.50000000       0.48214286       0.50000000 1.0 
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      0.48437500       0.50000000       0.50000000 1.0 
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      0.42187500       0.50000000       0.50000000 1.0 
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      0.35937500       0.50000000       0.50000000 1.0 
      0.34375000       0.50000000       0.50000000 1.0 
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      0.21875000       0.50000000       0.50000000 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 

