! Pwscf input file created with ciftopw.py 
! Compound: SbTeI
&control
         calculation     = 'bands'
         prefix          = 'SbTeI'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.5255564642106521
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.2845041519148701
         celldm(4)       =            0.5959350830630533
         celldm(5)       =            0.5959350830630533
         celldm(6)       =            0.8255273530595287
         nat             =        6
         ntyp            =        3
         ecutwfc         =       37.00000000
         ecutrho         =      242.00000000
         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
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-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
316
      0.00000000       0.00000000       0.00000000 1.0 
      0.01666667       0.01666667       0.00000000 1.0 
      0.03333333       0.03333333       0.00000000 1.0 
      0.05000000       0.05000000       0.00000000 1.0 
      0.06666667       0.06666667       0.00000000 1.0 
      0.08333333       0.08333333       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.11666667       0.11666667       0.00000000 1.0 
      0.13333333       0.13333333       0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.18333333       0.18333333       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.21666667       0.21666667       0.00000000 1.0 
      0.23333333       0.23333333       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26666667       0.26666667       0.00000000 1.0 
      0.28333333       0.28333333      -0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31666667       0.31666667       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.36666667       0.36666667       0.00000000 1.0 
      0.38333333       0.38333333       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.41666667       0.41666667       0.00000000 1.0 
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      0.45000000       0.45000000       0.00000000 1.0 
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      0.48333333       0.48333333       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.51225385       0.51225385       0.02641248 1.0 
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      0.53676155       0.53676155       0.07923743 1.0 
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      0.55804455       0.55804455       0.15142752 1.0 
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      0.55159516       0.55159516       0.19015780 1.0 
      0.54837046       0.54837046       0.20952293 1.0 
      0.54514576       0.54514576       0.22888807 1.0 
      0.54192107       0.54192107       0.24825321 1.0 
      0.53869637       0.53869637       0.26761835 1.0 
      0.53547167       0.53547167       0.28698349 1.0 
      0.53224697       0.53224697       0.30634862 1.0 
      0.52902228       0.52902228       0.32571376 1.0 
      0.52579758       0.52579758       0.34507890 1.0 
      0.52257288       0.52257288       0.36444404 1.0 
      0.51934818       0.51934818       0.38380917 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.24616735      -0.24616735       0.50000000 1.0 
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      0.04657220      -0.04657220       0.50000000 1.0 
      0.03991903      -0.03991903       0.50000000 1.0 
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      0.02089194       0.02089194       0.51752084 1.0 
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      0.06267582       0.06267582       0.55256252 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

