! Pwscf input file created with ciftopw.py 
! Compound: ZrSnS3
&control
         calculation     = 'bands'
         prefix          = 'ZrSnS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.0241115011130004
         celldm(2)       =            2.4718859295130478
         celldm(3)       =            3.7231638418079096
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      250.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
304
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      0.01162791       0.00000000       0.00000000 1.0 
      0.02325581       0.00000000       0.00000000 1.0 
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      0.00000000       0.38888889       0.00000000 1.0 
      0.00000000       0.36111111       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.30555556       0.00000000 1.0 
      0.00000000       0.27777778       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
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      0.00000000       0.19444444       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.13888889       0.00000000 1.0 
      0.00000000       0.11111111       0.00000000 1.0 
      0.00000000       0.08333333       0.00000000 1.0 
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      0.00000000       0.02777778       0.00000000 1.0 
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      0.00000000       0.00000000       0.04166667 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.20833333 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.29166667 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.45833333 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.01162791       0.00000000       0.50000000 1.0 
      0.02325581       0.00000000       0.50000000 1.0 
      0.03488372       0.00000000       0.50000000 1.0 
      0.04651163       0.00000000       0.50000000 1.0 
      0.05813953       0.00000000       0.50000000 1.0 
      0.06976744       0.00000000       0.50000000 1.0 
      0.08139535      -0.00000000       0.50000000 1.0 
      0.09302326       0.00000000       0.50000000 1.0 
      0.10465116       0.00000000       0.50000000 1.0 
      0.11627907       0.00000000       0.50000000 1.0 
      0.12790698       0.00000000       0.50000000 1.0 
      0.13953488       0.00000000       0.50000000 1.0 
      0.15116279       0.00000000       0.50000000 1.0 
      0.16279070       0.00000000       0.50000000 1.0 
      0.17441860       0.00000000       0.50000000 1.0 
      0.18604651       0.00000000       0.50000000 1.0 
      0.19767442       0.00000000       0.50000000 1.0 
      0.20930233       0.00000000       0.50000000 1.0 
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      0.23255814       0.00000000       0.50000000 1.0 
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      0.25581395       0.00000000       0.50000000 1.0 
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      0.27906977       0.00000000       0.50000000 1.0 
      0.29069767       0.00000000       0.50000000 1.0 
      0.30232558       0.00000000       0.50000000 1.0 
      0.31395349       0.00000000       0.50000000 1.0 
      0.32558140       0.00000000       0.50000000 1.0 
      0.33720930       0.00000000       0.50000000 1.0 
      0.34883721       0.00000000       0.50000000 1.0 
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      0.50000000       0.11111111       0.50000000 1.0 
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      0.50000000       0.16666667       0.50000000 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 

