! Pwscf input file created with pymatgen.py 
! Compound: BaZnF4
&control
         calculation     = 'bands'
         prefix          = 'BaZnF4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.3336120385536727
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.7703999373653865
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8462790831397005
         nat             =       12
         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-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zn  65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
340
      0.00000000       0.00000000       0.00000000 1.0 
      0.00660524       0.00660524       0.00000000 1.0 
      0.01321049       0.01321049       0.00000000 1.0 
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      0.03302621       0.03302621       0.00000000 1.0 
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      0.04623670       0.04623670       0.00000000 1.0 
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      0.07265767       0.07265767       0.00000000 1.0 
      0.07926292       0.07926292       0.00000000 1.0 
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      0.13210486       0.13210486       0.00000000 1.0 
      0.13871010       0.13871010       0.00000000 1.0 
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      0.11889437       0.11889437       0.50000000 1.0 
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      0.05944719       0.05944719       0.50000000 1.0 
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