! Pwscf input file created with ciftopw.py 
! Compound: CaFe(SiO3)2
&control
         calculation     = 'bands'
         prefix          = 'CaFexSiO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.3968681556934843
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.7859587661105483
         celldm(4)       =            0.1788598817277656
         celldm(5)       =            0.1788598817277656
         celldm(6)       =            0.0947470171941641
         nat             =       20
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Fe  55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-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
242
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
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      0.05882353       0.05882353       0.00000000 1.0 
      0.07352941       0.07352941       0.00000000 1.0 
      0.08823529       0.08823529       0.00000000 1.0 
      0.10294118       0.10294118       0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
      0.13235294       0.13235294       0.00000000 1.0 
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      0.16176471       0.16176471       0.00000000 1.0 
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      0.25000000       0.25000000       0.00000000 1.0 
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      0.27941176       0.27941176       0.00000000 1.0 
      0.29411765       0.29411765       0.00000000 1.0 
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      0.52514717       0.52514717       0.11050349 1.0 
      0.52873963       0.52873963       0.12628970 1.0 
      0.53233208       0.53233208       0.14207592 1.0 
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      0.53951699       0.53951699       0.17364834 1.0 
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      0.55029435       0.55029435       0.22100698 1.0 
      0.55388680       0.55388680       0.23679320 1.0 
      0.55747925       0.55747925       0.25257941 1.0 
      0.56107171       0.56107171       0.26836562 1.0 
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      0.56825661       0.56825661       0.29993805 1.0 
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      0.57544152       0.57544152       0.33151047 1.0 
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      0.58262643       0.58262643       0.36308290 1.0 
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      0.23272940      -0.23272940       0.50000000 1.0 
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      0.16427958      -0.16427958       0.50000000 1.0 
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      0.01368996      -0.01368996       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.01519217       0.01519217       0.50390165 1.0 
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      0.06076869       0.06076869       0.51560662 1.0 
      0.07596086       0.07596086       0.51950827 1.0 
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      0.12153738       0.12153738       0.53121324 1.0 
      0.13672956       0.13672956       0.53511489 1.0 
      0.15192173       0.15192173       0.53901655 1.0 
      0.16711390       0.16711390       0.54291820 1.0 
      0.18230607       0.18230607       0.54681986 1.0 
      0.19749825       0.19749825       0.55072151 1.0 
      0.21269042       0.21269042       0.55462316 1.0 
      0.22788259       0.22788259       0.55852482 1.0 
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      0.28865128       0.28865128       0.57413144 1.0 
      0.30384346       0.30384346       0.57803309 1.0 
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