! Pwscf input file created with ciftopw.py 
! Compound: BaZrF6
&control
         calculation     = 'bands'
         prefix          = 'BaZrF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.9545923180865046
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.8039064194122993
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.3722948298378319
         nat             =       16
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      317.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
302
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      0.01214511       0.01214511       0.00000000 1.0 
      0.02429021       0.02429021       0.00000000 1.0 
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