! 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)       =           21.6864954497640063
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9999999999999999
         celldm(4)       =            0.9219307717762424
         celldm(5)       =            0.9219307717762424
         celldm(6)       =            0.9219307717762423
         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-05 
         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
259
      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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      0.50000000       0.50000000       0.50000000 1.0 
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      0.46666667       0.46666667       0.46666667 1.0 
      0.43333333       0.43333333       0.43333333 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.36666667       0.36666667       0.36666667 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.26666667       0.26666667       0.26666667 1.0 
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      0.20000000       0.20000000       0.20000000 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.13333333       0.13333333       0.13333333 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.06666667       0.06666667       0.06666667 1.0 
      0.03333333       0.03333333       0.03333333 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.02156864       0.00000000      -0.02156864 1.0 
      0.02875818       0.00000000      -0.02875818 1.0 
      0.03594773      -0.00000000      -0.03594773 1.0 
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      0.05032682      -0.00000000      -0.05032682 1.0 
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      0.82418272       0.33790864       0.33790864 1.0 

