! Pwscf input file created with ciftopw.py 
! Compound: Ca(GaS2)2
&control
         calculation     = 'bands'
         prefix          = 'CaxGaS2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.0680848273284411
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            1.7176091208119784
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.4636756314899262
         nat             =       14
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      274.00000000
         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 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
284
      0.00000000       0.00000000       0.00000000 1.0 
      0.00948905       0.00948905       0.00000000 1.0 
      0.01897810       0.01897810       0.00000000 1.0 
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      0.03795619       0.03795619       0.00000000 1.0 
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      0.05693429       0.05693429       0.00000000 1.0 
      0.06642334       0.06642334       0.00000000 1.0 
      0.07591239       0.07591239       0.00000000 1.0 
      0.08540144       0.08540144       0.00000000 1.0 
      0.09489048       0.09489048       0.00000000 1.0 
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      0.11386858       0.11386858       0.00000000 1.0 
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      0.15182477       0.15182477       0.00000000 1.0 
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      0.17080287       0.17080287       0.00000000 1.0 
      0.18029192       0.18029192       0.00000000 1.0 
      0.18978097       0.18978097       0.00000000 1.0 
      0.19927002       0.19927002       0.00000000 1.0 
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      0.34160574       0.34160574       0.00000000 1.0 
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      0.25170949       0.38328844       0.00000000 1.0 
      0.23373024       0.39162498       0.00000000 1.0 
      0.21575099       0.39996152       0.00000000 1.0 
      0.19777175       0.40829806       0.00000000 1.0 
      0.17979250       0.41663460       0.00000000 1.0 
      0.16181325       0.42497114       0.00000000 1.0 
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      0.07191700       0.46665384       0.00000000 1.0 
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     -0.00000000       0.50000000       0.00000000 1.0 
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     -0.00000000       0.50000000       0.34375000 1.0 
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     -0.00000000       0.50000000       0.43750000 1.0 
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      0.30564724       0.35827882       0.50000000 1.0 
      0.32362649       0.34994228       0.50000000 1.0 
      0.34160574       0.34160574       0.50000000 1.0 
      0.34160574       0.34160574       0.50000000 1.0 
      0.33211669       0.33211669       0.50000000 1.0 
      0.32262765       0.32262765       0.50000000 1.0 
      0.31313860       0.31313860       0.50000000 1.0 
      0.30364955       0.30364955       0.50000000 1.0 
      0.29416050       0.29416050       0.50000000 1.0 
      0.28467145       0.28467145       0.50000000 1.0 
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      0.26569335       0.26569335       0.50000000 1.0 
      0.25620431       0.25620431       0.50000000 1.0 
      0.24671526       0.24671526       0.50000000 1.0 
      0.23722621       0.23722621       0.50000000 1.0 
      0.22773716       0.22773716       0.50000000 1.0 
      0.21824811       0.21824811       0.50000000 1.0 
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      0.19927002       0.19927002       0.50000000 1.0 
      0.18978097       0.18978097       0.50000000 1.0 
      0.18029192       0.18029192       0.50000000 1.0 
      0.17080287       0.17080287       0.50000000 1.0 
      0.16131382       0.16131382       0.50000000 1.0 
      0.15182477       0.15182477       0.50000000 1.0 
      0.14233573       0.14233573       0.50000000 1.0 
      0.13284668       0.13284668       0.50000000 1.0 
      0.12335763       0.12335763       0.50000000 1.0 
      0.11386858       0.11386858       0.50000000 1.0 
      0.10437953       0.10437953       0.50000000 1.0 
      0.09489048       0.09489048       0.50000000 1.0 
      0.08540144       0.08540144       0.50000000 1.0 
      0.07591239       0.07591239       0.50000000 1.0 
      0.06642334       0.06642334       0.50000000 1.0 
      0.05693429       0.05693429       0.50000000 1.0 
      0.04744524       0.04744524       0.50000000 1.0 
      0.03795619       0.03795619       0.50000000 1.0 
      0.02846715       0.02846715       0.50000000 1.0 
      0.01897810       0.01897810       0.50000000 1.0 
      0.00948905       0.00948905       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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     -0.00000000       0.00000000       0.43750000 1.0 
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     -0.00000000       0.00000000       0.34375000 1.0 
     -0.00000000       0.00000000       0.31250000 1.0 
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     -0.00000000       0.00000000       0.25000000 1.0 
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     -0.00000000       0.00000000       0.18750000 1.0 
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     -0.00000000       0.00000000       0.06250000 1.0 
      0.00000000      -0.00000000       0.03125000 1.0 
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     -0.50000000       0.50000000       0.50000000 1.0 

