! Pwscf input file created with ciftopw.py 
! Compound: Ca3SiBr2
&control
         calculation     = 'bands'
         prefix          = 'Ca3SiBr2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           22.5198646109130003
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.9286801473411920
         celldm(5)       =            0.9286801473411920
         celldm(6)       =            0.9286801473411920
         nat             =        6
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      274.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Br  79.9040 Br.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
261
      0.00000000       0.00000000       0.00000000 1.0 
      0.01219512       0.00000000       0.00000000 1.0 
      0.02439024       0.00000000       0.00000000 1.0 
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      0.64837564       0.50000000       0.35162436 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.46428571       0.46428571       0.46428571 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.39285714       0.39285714       0.39285714 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.32142857       0.32142857       0.32142857 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.14285714       0.14285714       0.14285714 1.0 
      0.10714286       0.10714286       0.10714286 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.03571429       0.03571429       0.03571429 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.02109333      -0.00000000      -0.02109333 1.0 
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      0.05624889       0.00000000      -0.05624889 1.0 
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      0.82501332       0.33749334       0.33749334 1.0 

