! Pwscf input file created with ciftopw.py 
! Compound: Ca2(ZnSn2)3
&control
         calculation     = 'bands'
         prefix          = 'Ca2xZnSn2x3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           26.0042422504145989
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.4602185509999313
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8938652049849672
         nat             =       22
         ntyp            =        3
         ecutwfc         =       48.00000000
         ecutrho         =      276.00000000
         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
Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Zn  65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
252
      0.00000000       0.00000000       0.00000000 1.0 
      0.00977816       0.00977816       0.00000000 1.0 
      0.01955632       0.01955632       0.00000000 1.0 
      0.02933448       0.02933448       0.00000000 1.0 
      0.03911264       0.03911264       0.00000000 1.0 
      0.04889080       0.04889080       0.00000000 1.0 
      0.05866896       0.05866896       0.00000000 1.0 
      0.06844713       0.06844713       0.00000000 1.0 
      0.07822529       0.07822529       0.00000000 1.0 
      0.08800345       0.08800345       0.00000000 1.0 
      0.09778161       0.09778161       0.00000000 1.0 
      0.10755977       0.10755977       0.00000000 1.0 
      0.11733793       0.11733793       0.00000000 1.0 
      0.12711609       0.12711609       0.00000000 1.0 
      0.13689425       0.13689425       0.00000000 1.0 
      0.14667241       0.14667241       0.00000000 1.0 
      0.15645057       0.15645057       0.00000000 1.0 
      0.16622873       0.16622873       0.00000000 1.0 
      0.17600689       0.17600689       0.00000000 1.0 
      0.18578506       0.18578506       0.00000000 1.0 
      0.19556322       0.19556322       0.00000000 1.0 
      0.20534138       0.20534138       0.00000000 1.0 
      0.21511954       0.21511954       0.00000000 1.0 
      0.22489770       0.22489770       0.00000000 1.0 
      0.23467586       0.23467586       0.00000000 1.0 
      0.24445402       0.24445402       0.00000000 1.0 
      0.25423218       0.25423218       0.00000000 1.0 
      0.26401034       0.26401034       0.00000000 1.0 
      0.26401034       0.26401034       0.00000000 1.0 
      0.22629458       0.29772315       0.00000000 1.0 
      0.18857882       0.33143596       0.00000000 1.0 
      0.15086305       0.36514877       0.00000000 1.0 
      0.11314729       0.39886158       0.00000000 1.0 
      0.07543153       0.43257438       0.00000000 1.0 
      0.03771576       0.46628719       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.50000000       0.08000000 1.0 
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      0.00000000       0.50000000       0.16000000 1.0 
      0.00000000       0.50000000       0.18000000 1.0 
      0.00000000       0.50000000       0.20000000 1.0 
      0.00000000       0.50000000       0.22000000 1.0 
      0.00000000       0.50000000       0.24000000 1.0 
      0.00000000       0.50000000       0.26000000 1.0 
      0.00000000       0.50000000       0.28000000 1.0 
      0.00000000       0.50000000       0.30000000 1.0 
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      0.00000000       0.50000000       0.40000000 1.0 
      0.00000000       0.50000000       0.42000000 1.0 
      0.00000000       0.50000000       0.44000000 1.0 
      0.00000000       0.50000000       0.46000000 1.0 
      0.00000000       0.50000000       0.48000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.03771576       0.46628719       0.50000000 1.0 
      0.07543153       0.43257438       0.50000000 1.0 
      0.11314729       0.39886158       0.50000000 1.0 
      0.15086305       0.36514877       0.50000000 1.0 
      0.18857882       0.33143596       0.50000000 1.0 
      0.22629458       0.29772315       0.50000000 1.0 
      0.26401034       0.26401034       0.50000000 1.0 
      0.26401034       0.26401034       0.50000000 1.0 
      0.25423218       0.25423218       0.50000000 1.0 
      0.24445402       0.24445402       0.50000000 1.0 
      0.23467586       0.23467586       0.50000000 1.0 
      0.22489770       0.22489770       0.50000000 1.0 
      0.21511954       0.21511954       0.50000000 1.0 
      0.20534138       0.20534138       0.50000000 1.0 
      0.19556322       0.19556322       0.50000000 1.0 
      0.18578506       0.18578506       0.50000000 1.0 
      0.17600689       0.17600689       0.50000000 1.0 
      0.16622873       0.16622873       0.50000000 1.0 
      0.15645057       0.15645057       0.50000000 1.0 
      0.14667241       0.14667241       0.50000000 1.0 
      0.13689425       0.13689425       0.50000000 1.0 
      0.12711609       0.12711609       0.50000000 1.0 
      0.11733793       0.11733793       0.50000000 1.0 
      0.10755977       0.10755977       0.50000000 1.0 
      0.09778161       0.09778161       0.50000000 1.0 
      0.08800345       0.08800345       0.50000000 1.0 
      0.07822529       0.07822529       0.50000000 1.0 
      0.06844713       0.06844713       0.50000000 1.0 
      0.05866896       0.05866896       0.50000000 1.0 
      0.04889080       0.04889080       0.50000000 1.0 
      0.03911264       0.03911264       0.50000000 1.0 
      0.02933448       0.02933448       0.50000000 1.0 
      0.01955632       0.01955632       0.50000000 1.0 
      0.00977816       0.00977816       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.48000000 1.0 
     -0.00000000       0.00000000       0.46000000 1.0 
     -0.00000000       0.00000000       0.44000000 1.0 
     -0.00000000      -0.00000000       0.42000000 1.0 
     -0.00000000       0.00000000       0.40000000 1.0 
     -0.00000000       0.00000000       0.38000000 1.0 
      0.00000000      -0.00000000       0.36000000 1.0 
      0.00000000      -0.00000000       0.34000000 1.0 
      0.00000000       0.00000000       0.32000000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
     -0.00000000       0.00000000       0.28000000 1.0 
     -0.00000000      -0.00000000       0.26000000 1.0 
     -0.00000000       0.00000000       0.24000000 1.0 
      0.00000000      -0.00000000       0.22000000 1.0 
     -0.00000000       0.00000000       0.20000000 1.0 
      0.00000000      -0.00000000       0.18000000 1.0 
      0.00000000       0.00000000       0.16000000 1.0 
      0.00000000      -0.00000000       0.14000000 1.0 
     -0.00000000       0.00000000       0.12000000 1.0 
     -0.00000000      -0.00000000       0.10000000 1.0 
     -0.00000000       0.00000000       0.08000000 1.0 
      0.00000000      -0.00000000       0.06000000 1.0 
      0.00000000      -0.00000000       0.04000000 1.0 
      0.00000000      -0.00000000       0.02000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.04166667       0.04166667       0.00000000 1.0 
     -0.08333333       0.08333333       0.00000000 1.0 
     -0.12500000       0.12500000       0.00000000 1.0 
     -0.16666667       0.16666667       0.00000000 1.0 
     -0.20833333       0.20833333       0.00000000 1.0 
     -0.25000000       0.25000000       0.00000000 1.0 
     -0.29166667       0.29166667       0.00000000 1.0 
     -0.33333333       0.33333333       0.00000000 1.0 
     -0.37500000       0.37500000       0.00000000 1.0 
     -0.41666667       0.41666667       0.00000000 1.0 
     -0.45833333       0.45833333       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.49016710       0.50983290       0.00000000 1.0 
     -0.48033420       0.51966580       0.00000000 1.0 
     -0.47050129       0.52949871       0.00000000 1.0 
     -0.46066839       0.53933161       0.00000000 1.0 
     -0.45083549       0.54916451       0.00000000 1.0 
     -0.44100259       0.55899741       0.00000000 1.0 
     -0.43116968       0.56883032       0.00000000 1.0 
     -0.42133678       0.57866322       0.00000000 1.0 
     -0.41150388       0.58849612       0.00000000 1.0 
     -0.40167098       0.59832902       0.00000000 1.0 
     -0.39183807       0.60816193       0.00000000 1.0 
     -0.38200517       0.61799483       0.00000000 1.0 
     -0.37217227       0.62782773       0.00000000 1.0 
     -0.36233937       0.63766063       0.00000000 1.0 
     -0.35250646       0.64749354       0.00000000 1.0 
     -0.34267356       0.65732644       0.00000000 1.0 
     -0.33284066       0.66715934       0.00000000 1.0 
     -0.32300776       0.67699224       0.00000000 1.0 
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     -0.30334195       0.69665805       0.00000000 1.0 
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     -0.28367615       0.71632385       0.00000000 1.0 
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     -0.26401034       0.73598966       0.00000000 1.0 
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     -0.26401034       0.73598966       0.10000000 1.0 
     -0.26401034       0.73598966       0.12000000 1.0 
     -0.26401034       0.73598966       0.14000000 1.0 
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     -0.26401034       0.73598966       0.22000000 1.0 
     -0.26401034       0.73598966       0.24000000 1.0 
     -0.26401034       0.73598966       0.26000000 1.0 
     -0.26401034       0.73598966       0.28000000 1.0 
     -0.26401034       0.73598966       0.30000000 1.0 
     -0.26401034       0.73598966       0.32000000 1.0 
     -0.26401034       0.73598966       0.34000000 1.0 
     -0.26401034       0.73598966       0.36000000 1.0 
     -0.26401034       0.73598966       0.38000000 1.0 
     -0.26401034       0.73598966       0.40000000 1.0 
     -0.26401034       0.73598966       0.42000000 1.0 
     -0.26401034       0.73598966       0.44000000 1.0 
     -0.26401034       0.73598966       0.46000000 1.0 
     -0.26401034       0.73598966       0.48000000 1.0 
     -0.26401034       0.73598966       0.50000000 1.0 
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     -0.27384324       0.72615676       0.50000000 1.0 
     -0.28367615       0.71632385       0.50000000 1.0 
     -0.29350905       0.70649095       0.50000000 1.0 
     -0.30334195       0.69665805       0.50000000 1.0 
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     -0.32300776       0.67699224       0.50000000 1.0 
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     -0.37217227       0.62782773       0.50000000 1.0 
     -0.38200517       0.61799483       0.50000000 1.0 
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     -0.43116968       0.56883032       0.50000000 1.0 
     -0.44100259       0.55899741       0.50000000 1.0 
     -0.45083549       0.54916451       0.50000000 1.0 
     -0.46066839       0.53933161       0.50000000 1.0 
     -0.47050129       0.52949871       0.50000000 1.0 
     -0.48033420       0.51966580       0.50000000 1.0 
     -0.49016710       0.50983290       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
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     -0.50000000       0.50000000       0.48000000 1.0 
     -0.50000000       0.50000000       0.46000000 1.0 
     -0.50000000       0.50000000       0.44000000 1.0 
     -0.50000000       0.50000000       0.42000000 1.0 
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     -0.50000000       0.50000000       0.36000000 1.0 
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     -0.50000000       0.50000000       0.32000000 1.0 
     -0.50000000       0.50000000       0.30000000 1.0 
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     -0.50000000       0.50000000       0.24000000 1.0 
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     -0.04166667       0.04166667       0.50000000 1.0 
     -0.08333333       0.08333333       0.50000000 1.0 
     -0.12500000       0.12500000       0.50000000 1.0 
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     -0.45833333       0.45833333       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

