! 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)       =           14.1630805480391313
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.7722708338226829
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8432057383458863
         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
344
      0.00000000       0.00000000       0.00000000 1.0 
      0.00661626       0.00661626       0.00000000 1.0 
      0.01323251       0.01323251       0.00000000 1.0 
      0.01984877       0.01984877       0.00000000 1.0 
      0.02646503       0.02646503       0.00000000 1.0 
      0.03308128       0.03308128       0.00000000 1.0 
      0.03969754       0.03969754       0.00000000 1.0 
      0.04631380       0.04631380       0.00000000 1.0 
      0.05293005       0.05293005       0.00000000 1.0 
      0.05954631       0.05954631       0.00000000 1.0 
      0.06616257       0.06616257       0.00000000 1.0 
      0.07277882       0.07277882       0.00000000 1.0 
      0.07939508       0.07939508       0.00000000 1.0 
      0.08601133       0.08601133       0.00000000 1.0 
      0.09262759       0.09262759       0.00000000 1.0 
      0.09924385       0.09924385       0.00000000 1.0 
      0.10586010       0.10586010       0.00000000 1.0 
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      0.11909262       0.11909262       0.00000000 1.0 
      0.12570887       0.12570887       0.00000000 1.0 
      0.13232513       0.13232513       0.00000000 1.0 
      0.13894139       0.13894139       0.00000000 1.0 
      0.14555764       0.14555764       0.00000000 1.0 
      0.15217390       0.15217390       0.00000000 1.0 
      0.15879016       0.15879016       0.00000000 1.0 
      0.16540641       0.16540641       0.00000000 1.0 
      0.17202267       0.17202267       0.00000000 1.0 
      0.17863893       0.17863893       0.00000000 1.0 
      0.18525518       0.18525518       0.00000000 1.0 
      0.19187144       0.19187144       0.00000000 1.0 
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      0.21172021       0.21172021       0.00000000 1.0 
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      0.24480149       0.24480149       0.00000000 1.0 
      0.25141775       0.25141775       0.00000000 1.0 
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      0.24866097       0.29032764       0.00000000 1.0 
      0.22605543       0.30938876       0.00000000 1.0 
      0.20344989       0.32844989       0.00000000 1.0 
      0.18084434       0.34751101       0.00000000 1.0 
      0.15823880       0.36657213       0.00000000 1.0 
      0.13563326       0.38563326       0.00000000 1.0 
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      0.27126652       0.27126652       0.50000000 1.0 
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      0.24480149       0.24480149       0.50000000 1.0 
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      0.22495272       0.22495272       0.50000000 1.0 
      0.21833646       0.21833646       0.50000000 1.0 
      0.21172021       0.21172021       0.50000000 1.0 
      0.20510395       0.20510395       0.50000000 1.0 
      0.19848770       0.19848770       0.50000000 1.0 
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      0.15879016       0.15879016       0.50000000 1.0 
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      0.13894139       0.13894139       0.50000000 1.0 
      0.13232513       0.13232513       0.50000000 1.0 
      0.12570887       0.12570887       0.50000000 1.0 
      0.11909262       0.11909262       0.50000000 1.0 
      0.11247636       0.11247636       0.50000000 1.0 
      0.10586010       0.10586010       0.50000000 1.0 
      0.09924385       0.09924385       0.50000000 1.0 
      0.09262759       0.09262759       0.50000000 1.0 
      0.08601133       0.08601133       0.50000000 1.0 
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      0.07277882       0.07277882       0.50000000 1.0 
      0.06616257       0.06616257       0.50000000 1.0 
      0.05954631       0.05954631       0.50000000 1.0 
      0.05293005       0.05293005       0.50000000 1.0 
      0.04631380       0.04631380       0.50000000 1.0 
      0.03969754       0.03969754       0.50000000 1.0 
      0.03308128       0.03308128       0.50000000 1.0 
      0.02646503       0.02646503       0.50000000 1.0 
      0.01984877       0.01984877       0.50000000 1.0 
      0.01323251       0.01323251       0.50000000 1.0 
      0.00661626       0.00661626       0.50000000 1.0 
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      0.00000000      -0.00000000       0.46428571 1.0 
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     -0.00000000       0.00000000       0.42857143 1.0 
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      0.00000000       0.00000000       0.39285714 1.0 
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      0.00000000       0.00000000       0.35714286 1.0 
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      0.00000000      -0.00000000       0.32142857 1.0 
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      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.23214286 1.0 
     -0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.19642857 1.0 
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     -0.34090909       0.34090909       0.00000000 1.0 
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