! Pwscf input file created with ciftopw.py 
! Compound: Zr3(Si3Cu2)2
&control
         calculation     = 'bands'
         prefix          = 'Zr3xSi3Cu2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           27.1095048233660734
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.9660347014329473
         celldm(5)       =           -0.9660347014329473
         celldm(6)       =            0.9320694028658947
         nat             =       13
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      237.00000000
         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
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
332
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.00833333 1.0 
     -0.00000000       0.00000000       0.01666667 1.0 
     -0.00000000       0.00000000       0.02500000 1.0 
     -0.00000000       0.00000000       0.03333333 1.0 
     -0.00000000       0.00000000       0.04166667 1.0 
     -0.00000000       0.00000000       0.05000000 1.0 
     -0.00000000       0.00000000       0.05833333 1.0 
     -0.00000000       0.00000000       0.06666667 1.0 
     -0.00000000       0.00000000       0.07500000 1.0 
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     -0.00000000       0.00000000       0.10000000 1.0 
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     -0.00000000       0.00000000       0.11666667 1.0 
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     -0.00000000       0.00000000       0.16666667 1.0 
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     -0.00000000       0.00000000       0.18333333 1.0 
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     -0.00000000       0.00000000       0.20000000 1.0 
     -0.00000000       0.00000000       0.20833333 1.0 
     -0.00000000       0.00000000       0.21666667 1.0 
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     -0.00000000       0.00000000       0.25000000 1.0 
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     -0.00000000       0.00000000       0.26666667 1.0 
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     -0.00000000       0.00000000       0.36666667 1.0 
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     -0.00000000       0.00000000       0.38333333 1.0 
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     -0.00000000       0.00000000       0.40000000 1.0 
     -0.00000000       0.00000000       0.40833333 1.0 
     -0.00000000       0.00000000       0.41666667 1.0 
     -0.00000000       0.00000000       0.42500000 1.0 
     -0.00000000       0.00000000       0.43333333 1.0 
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     -0.00878988       0.00878988       0.50000000 1.0 
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     -0.06141953       0.06141953       0.44737034 1.0 
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     -0.18422206       0.18422206       0.32456781 1.0 
     -0.19006980       0.19006980       0.31872007 1.0 
     -0.19591754       0.19591754       0.31287233 1.0 
     -0.20176528       0.20176528       0.30702459 1.0 
     -0.20761302       0.20761302       0.30117685 1.0 
     -0.21346076       0.21346076       0.29532911 1.0 
     -0.21930850       0.21930850       0.28948138 1.0 
     -0.22515624       0.22515624       0.28363364 1.0 
     -0.23100398       0.23100398       0.27778590 1.0 
     -0.23685172       0.23685172       0.27193816 1.0 
     -0.24269946       0.24269946       0.26609042 1.0 
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     -0.20114949       0.20114949       0.20114949 1.0 
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     -0.18340100       0.18340100       0.18340100 1.0 
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     -0.14790403       0.14790403       0.14790403 1.0 
     -0.14198787       0.14198787       0.14198787 1.0 
     -0.13607171       0.13607171       0.13607171 1.0 
     -0.13015555       0.13015555       0.13015555 1.0 
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     -0.11240707       0.11240707       0.11240707 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
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      0.25000000       0.25000000      -0.25000000 1.0 
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      0.33626329       0.66373671      -0.33626329 1.0 
      0.33041555       0.66958445      -0.33041555 1.0 
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      0.12500000       0.12500000       0.37500000 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.20833333       0.20833333       0.29166667 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

