! Pwscf input file created with ciftopw.py 
! Compound: Ca(FeSi)2
&control
         calculation     = 'bands'
         prefix          = 'CaxFeSix2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.9684631221729099
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.7697827738559043
         celldm(5)       =           -0.7697827738559043
         celldm(6)       =            0.5395655477118080
         nat             =        5
         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
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
361
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00877193 1.0 
      0.00000000       0.00000000       0.01754386 1.0 
      0.00000000       0.00000000       0.02631579 1.0 
      0.00000000       0.00000000       0.03508772 1.0 
      0.00000000       0.00000000       0.04385965 1.0 
      0.00000000       0.00000000       0.05263158 1.0 
      0.00000000       0.00000000       0.06140351 1.0 
      0.00000000       0.00000000       0.07017544 1.0 
      0.00000000       0.00000000       0.07894737 1.0 
      0.00000000       0.00000000       0.08771930 1.0 
      0.00000000       0.00000000       0.09649123 1.0 
      0.00000000       0.00000000       0.10526316 1.0 
      0.00000000       0.00000000       0.11403509 1.0 
      0.00000000       0.00000000       0.12280702 1.0 
      0.00000000       0.00000000       0.13157895 1.0 
      0.00000000       0.00000000       0.14035088 1.0 
      0.00000000       0.00000000       0.14912281 1.0 
      0.00000000       0.00000000       0.15789474 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
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      0.00000000       0.00000000       0.18421053 1.0 
      0.00000000       0.00000000       0.19298246 1.0 
      0.00000000       0.00000000       0.20175439 1.0 
      0.00000000       0.00000000       0.21052632 1.0 
      0.00000000       0.00000000       0.21929825 1.0 
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      0.00000000       0.00000000       0.23684211 1.0 
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      0.00000000       0.00000000       0.28947368 1.0 
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      0.00000000       0.00000000       0.30701754 1.0 
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      0.00000000       0.00000000       0.42105263 1.0 
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      0.00000000       0.00000000       0.43859649 1.0 
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      0.00000000       0.00000000       0.47368421 1.0 
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      0.00000000       0.00000000       0.49122807 1.0 
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     -0.02492232       0.02492232       0.50000000 1.0 
     -0.03322975       0.03322975       0.50000000 1.0 
     -0.04153719       0.04153719       0.50000000 1.0 
     -0.04984463       0.04984463       0.50000000 1.0 
     -0.05815207       0.05815207       0.50000000 1.0 
     -0.06645951       0.06645951       0.50000000 1.0 
     -0.07476695       0.07476695       0.50000000 1.0 
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     -0.11228751       0.11228751       0.46247944 1.0 
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     -0.13730122       0.13730122       0.43746573 1.0 
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     -0.23735605       0.23735605       0.33741089 1.0 
     -0.24360948       0.24360948       0.33115746 1.0 
     -0.24986291       0.24986291       0.32490404 1.0 
     -0.25611634       0.25611634       0.31865061 1.0 
     -0.26236976       0.26236976       0.31239718 1.0 
     -0.26862319       0.26862319       0.30614375 1.0 
     -0.27487662       0.27487662       0.29989033 1.0 
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     -0.28113601       0.28113601       0.28113601 1.0 
     -0.27488854       0.27488854       0.27488854 1.0 
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     -0.21866134       0.21866134       0.21866134 1.0 
     -0.21241387       0.21241387       0.21241387 1.0 
     -0.20616640       0.20616640       0.20616640 1.0 
     -0.19991894       0.19991894       0.19991894 1.0 
     -0.19367147       0.19367147       0.19367147 1.0 
     -0.18742400       0.18742400       0.18742400 1.0 
     -0.18117654       0.18117654       0.18117654 1.0 
     -0.17492907       0.17492907       0.17492907 1.0 
     -0.16868160       0.16868160       0.16868160 1.0 
     -0.16243414       0.16243414       0.16243414 1.0 
     -0.15618667       0.15618667       0.15618667 1.0 
     -0.14993920       0.14993920       0.14993920 1.0 
     -0.14369174       0.14369174       0.14369174 1.0 
     -0.13744427       0.13744427       0.13744427 1.0 
     -0.13119680       0.13119680       0.13119680 1.0 
     -0.12494934       0.12494934       0.12494934 1.0 
     -0.11870187       0.11870187       0.11870187 1.0 
     -0.11245440       0.11245440       0.11245440 1.0 
     -0.10620694       0.10620694       0.10620694 1.0 
     -0.09995947       0.09995947       0.09995947 1.0 
     -0.09371200       0.09371200       0.09371200 1.0 
     -0.08746454       0.08746454       0.08746454 1.0 
     -0.08121707       0.08121707       0.08121707 1.0 
     -0.07496960       0.07496960       0.07496960 1.0 
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     -0.03123733       0.03123733       0.03123733 1.0 
     -0.02498987       0.02498987       0.02498987 1.0 
     -0.01874240       0.01874240       0.01874240 1.0 
     -0.01249493       0.01249493       0.01249493 1.0 
     -0.00624747       0.00624747       0.00624747 1.0 
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      0.27419355       0.27419355      -0.27419355 1.0 
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      0.40322581       0.40322581      -0.40322581 1.0 
      0.41935484       0.41935484      -0.41935484 1.0 
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      0.45161290       0.45161290      -0.45161290 1.0 
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      0.44997258       0.55002742      -0.44997258 1.0 
      0.44371915       0.55628085      -0.44371915 1.0 
      0.43746573       0.56253427      -0.43746573 1.0 
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      0.50000000       0.50000000      -0.35825565 1.0 
      0.50000000       0.50000000      -0.36711467 1.0 
      0.50000000       0.50000000      -0.37597369 1.0 
      0.50000000       0.50000000      -0.38483271 1.0 
      0.50000000       0.50000000      -0.39369174 1.0 
      0.50000000       0.50000000      -0.40255076 1.0 
      0.50000000       0.50000000      -0.41140978 1.0 
      0.50000000       0.50000000      -0.42026880 1.0 
      0.50000000       0.50000000      -0.42912782 1.0 
      0.50000000       0.50000000      -0.43798685 1.0 
      0.50000000       0.50000000      -0.44684587 1.0 
      0.50000000       0.50000000      -0.45570489 1.0 
      0.50000000       0.50000000      -0.46456391 1.0 
      0.50000000       0.50000000      -0.47342293 1.0 
      0.50000000       0.50000000      -0.48228196 1.0 
      0.50000000       0.50000000      -0.49114098 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01562500       0.01562500       0.48437500 1.0 
      0.03125000       0.03125000       0.46875000 1.0 
      0.04687500       0.04687500       0.45312500 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07812500       0.07812500       0.42187500 1.0 
      0.09375000       0.09375000       0.40625000 1.0 
      0.10937500       0.10937500       0.39062500 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14062500       0.14062500       0.35937500 1.0 
      0.15625000       0.15625000       0.34375000 1.0 
      0.17187500       0.17187500       0.32812500 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20312500       0.20312500       0.29687500 1.0 
      0.21875000       0.21875000       0.28125000 1.0 
      0.23437500       0.23437500       0.26562500 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

