! Pwscf input file created with ciftopw.py 
! Compound: Na3NiF6
&control
         calculation     = 'bands'
         prefix          = 'Na3NiF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.7147463576300002
         celldm(2)       =            0.9594356261022928
         celldm(3)       =            1.6830520204185968
         celldm(4)       =            0.5686213157812912
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      324.00000000
         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
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
237
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      0.00000000       0.00000000       0.02380952 1.0 
      0.00000000       0.00000000       0.04761905 1.0 
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      0.00000000       0.00000000       0.09523810 1.0 
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      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19047619 1.0 
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      0.00000000       0.00000000       0.33333333 1.0 
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      0.00000000       0.01722058       0.51717721 1.0 
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      0.00000000       0.06888231       0.56870883 1.0 
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      0.00000000       0.10332347       0.60306325 1.0 
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      0.00000000       0.43051446       0.92943019 1.0 
      0.00000000       0.44773504       0.94660740 1.0 
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      0.37500000       0.50000000       0.50000000 1.0 
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      0.41071429       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.44642857       0.50000000       0.50000000 1.0 
      0.46428571       0.50000000       0.50000000 1.0 
      0.48214286       0.50000000       0.50000000 1.0 
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      0.50000000       0.50003016       0.47509305 1.0 
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      0.50000000       0.50012065       0.40037220 1.0 
      0.50000000       0.50015081       0.37546524 1.0 
      0.50000000       0.50018097       0.35055829 1.0 
      0.50000000       0.50021113       0.32565134 1.0 
      0.50000000       0.50024129       0.30074439 1.0 
      0.50000000       0.50027145       0.27583744 1.0 
      0.50000000       0.50030161       0.25093049 1.0 
      0.50000000       0.50033178       0.22602354 1.0 
      0.50000000       0.50036194       0.20111659 1.0 
      0.50000000       0.50039210       0.17620964 1.0 
      0.50000000       0.50042226       0.15130268 1.0 
      0.50000000       0.50045242       0.12639573 1.0 
      0.50000000       0.50048258       0.10148878 1.0 
      0.50000000       0.50051275       0.07658183 1.0 
      0.50000000       0.50054291       0.05167488 1.0 
      0.50000000       0.50057307       0.02676793 1.0 
      0.50000000       0.50060323       0.00186098 1.0 
      0.50000000       0.50060323       0.00186098 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.41071429       0.50000000       0.00000000 1.0 
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      0.37500000       0.50000000       0.00000000 1.0 
      0.35714286       0.50000000       0.00000000 1.0 
      0.33928571       0.50000000       0.00000000 1.0 
      0.32142857       0.50000000       0.00000000 1.0 
      0.30357143       0.50000000       0.00000000 1.0 
      0.28571429       0.50000000       0.00000000 1.0 
      0.26785714       0.50000000       0.00000000 1.0 
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      0.23214286       0.50000000       0.00000000 1.0 
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      0.19642857       0.50000000       0.00000000 1.0 
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      0.16071429       0.50000000       0.00000000 1.0 
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      0.50000000       0.49939677       0.99813902 1.0 
      0.50000000       0.48217619       0.98096181 1.0 
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      0.50000000       0.44773504       0.94660740 1.0 
      0.50000000       0.43051446       0.92943019 1.0 
      0.50000000       0.41329388       0.91225298 1.0 
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      0.50000000       0.17220578       0.67177208 1.0 
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      0.50000000       0.10332347       0.60306325 1.0 
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      0.50000000       0.05166173       0.55153162 1.0 
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      0.50000000       0.00000000       0.50000000 1.0 
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      0.21428571       0.00000000       0.50000000 1.0 
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