! Pwscf input file created with ciftopw.py 
! Compound: NaHf2CuSe5
&control
         calculation     = 'bands'
         prefix          = 'NaHf2CuSe5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.3067056720611561
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            2.3016056609734146
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8557958520444935
         nat             =       18
         ntyp            =        4
         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
Hf 178.4900 Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
294
      0.00000000       0.00000000       0.00000000 1.0 
      0.00598725       0.00598725       0.00000000 1.0 
      0.01197450       0.01197450       0.00000000 1.0 
      0.01796175       0.01796175       0.00000000 1.0 
      0.02394899       0.02394899       0.00000000 1.0 
      0.02993624       0.02993624       0.00000000 1.0 
      0.03592349       0.03592349       0.00000000 1.0 
      0.04191074       0.04191074       0.00000000 1.0 
      0.04789799       0.04789799       0.00000000 1.0 
      0.05388524       0.05388524       0.00000000 1.0 
      0.05987249       0.05987249       0.00000000 1.0 
      0.06585973       0.06585973       0.00000000 1.0 
      0.07184698       0.07184698       0.00000000 1.0 
      0.07783423       0.07783423       0.00000000 1.0 
      0.08382148       0.08382148       0.00000000 1.0 
      0.08980873       0.08980873       0.00000000 1.0 
      0.09579598       0.09579598       0.00000000 1.0 
      0.10178323       0.10178323       0.00000000 1.0 
      0.10777047       0.10777047       0.00000000 1.0 
      0.11375772       0.11375772       0.00000000 1.0 
      0.11974497       0.11974497       0.00000000 1.0 
      0.12573222       0.12573222       0.00000000 1.0 
      0.13171947       0.13171947       0.00000000 1.0 
      0.13770672       0.13770672       0.00000000 1.0 
      0.14369397       0.14369397       0.00000000 1.0 
      0.14968121       0.14968121       0.00000000 1.0 
      0.15566846       0.15566846       0.00000000 1.0 
      0.16165571       0.16165571       0.00000000 1.0 
      0.16764296       0.16764296       0.00000000 1.0 
      0.17363021       0.17363021       0.00000000 1.0 
      0.17961746       0.17961746       0.00000000 1.0 
      0.18560471       0.18560471       0.00000000 1.0 
      0.19159196       0.19159196       0.00000000 1.0 
      0.19757920       0.19757920       0.00000000 1.0 
      0.20356645       0.20356645       0.00000000 1.0 
      0.20955370       0.20955370       0.00000000 1.0 
      0.21554095       0.21554095       0.00000000 1.0 
      0.22152820       0.22152820       0.00000000 1.0 
      0.22751545       0.22751545       0.00000000 1.0 
      0.23350270       0.23350270       0.00000000 1.0 
      0.23948994       0.23948994       0.00000000 1.0 
      0.24547719       0.24547719       0.00000000 1.0 
      0.25146444       0.25146444       0.00000000 1.0 
      0.25745169       0.25745169       0.00000000 1.0 
      0.26343894       0.26343894       0.00000000 1.0 
      0.26942619       0.26942619       0.00000000 1.0 
      0.26942619       0.26942619       0.00000000 1.0 
      0.24870110       0.28716263       0.00000000 1.0 
      0.22797600       0.30489908       0.00000000 1.0 
      0.20725091       0.32263553       0.00000000 1.0 
      0.18652582       0.34037198       0.00000000 1.0 
      0.16580073       0.35810842       0.00000000 1.0 
      0.14507564       0.37584487       0.00000000 1.0 
      0.12435055       0.39358132       0.00000000 1.0 
      0.10362546       0.41131776       0.00000000 1.0 
      0.08290037       0.42905421       0.00000000 1.0 
      0.06217527       0.44679066       0.00000000 1.0 
      0.04145018       0.46452711       0.00000000 1.0 
      0.02072509       0.48226355       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.05000000 1.0 
     -0.00000000       0.50000000       0.10000000 1.0 
     -0.00000000       0.50000000       0.15000000 1.0 
     -0.00000000       0.50000000       0.20000000 1.0 
     -0.00000000       0.50000000       0.25000000 1.0 
     -0.00000000       0.50000000       0.30000000 1.0 
     -0.00000000       0.50000000       0.35000000 1.0 
     -0.00000000       0.50000000       0.40000000 1.0 
     -0.00000000       0.50000000       0.45000000 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
      0.02072509       0.48226355       0.50000000 1.0 
      0.04145018       0.46452711       0.50000000 1.0 
      0.06217527       0.44679066       0.50000000 1.0 
      0.08290037       0.42905421       0.50000000 1.0 
      0.10362546       0.41131776       0.50000000 1.0 
      0.12435055       0.39358132       0.50000000 1.0 
      0.14507564       0.37584487       0.50000000 1.0 
      0.16580073       0.35810842       0.50000000 1.0 
      0.18652582       0.34037198       0.50000000 1.0 
      0.20725091       0.32263553       0.50000000 1.0 
      0.22797600       0.30489908       0.50000000 1.0 
      0.24870110       0.28716263       0.50000000 1.0 
      0.26942619       0.26942619       0.50000000 1.0 
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      0.26343894       0.26343894       0.50000000 1.0 
      0.25745169       0.25745169       0.50000000 1.0 
      0.25146444       0.25146444       0.50000000 1.0 
      0.24547719       0.24547719       0.50000000 1.0 
      0.23948994       0.23948994       0.50000000 1.0 
      0.23350270       0.23350270       0.50000000 1.0 
      0.22751545       0.22751545       0.50000000 1.0 
      0.22152820       0.22152820       0.50000000 1.0 
      0.21554095       0.21554095       0.50000000 1.0 
      0.20955370       0.20955370       0.50000000 1.0 
      0.20356645       0.20356645       0.50000000 1.0 
      0.19757920       0.19757920       0.50000000 1.0 
      0.19159196       0.19159196       0.50000000 1.0 
      0.18560471       0.18560471       0.50000000 1.0 
      0.17961746       0.17961746       0.50000000 1.0 
      0.17363021       0.17363021       0.50000000 1.0 
      0.16764296       0.16764296       0.50000000 1.0 
      0.16165571       0.16165571       0.50000000 1.0 
      0.15566846       0.15566846       0.50000000 1.0 
      0.14968121       0.14968121       0.50000000 1.0 
      0.14369397       0.14369397       0.50000000 1.0 
      0.13770672       0.13770672       0.50000000 1.0 
      0.13171947       0.13171947       0.50000000 1.0 
      0.12573222       0.12573222       0.50000000 1.0 
      0.11974497       0.11974497       0.50000000 1.0 
      0.11375772       0.11375772       0.50000000 1.0 
      0.10777047       0.10777047       0.50000000 1.0 
      0.10178323       0.10178323       0.50000000 1.0 
      0.09579598       0.09579598       0.50000000 1.0 
      0.08980873       0.08980873       0.50000000 1.0 
      0.08382148       0.08382148       0.50000000 1.0 
      0.07783423       0.07783423       0.50000000 1.0 
      0.07184698       0.07184698       0.50000000 1.0 
      0.06585973       0.06585973       0.50000000 1.0 
      0.05987249       0.05987249       0.50000000 1.0 
      0.05388524       0.05388524       0.50000000 1.0 
      0.04789799       0.04789799       0.50000000 1.0 
      0.04191074       0.04191074       0.50000000 1.0 
      0.03592349       0.03592349       0.50000000 1.0 
      0.02993624       0.02993624       0.50000000 1.0 
      0.02394899       0.02394899       0.50000000 1.0 
      0.01796175       0.01796175       0.50000000 1.0 
      0.01197450       0.01197450       0.50000000 1.0 
      0.00598725       0.00598725       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.45000000 1.0 
     -0.00000000       0.00000000       0.40000000 1.0 
     -0.00000000       0.00000000       0.35000000 1.0 
     -0.00000000       0.00000000       0.30000000 1.0 
     -0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000      -0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
     -0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.02083333       0.02083333       0.00000000 1.0 
     -0.04166667       0.04166667       0.00000000 1.0 
     -0.06250000       0.06250000       0.00000000 1.0 
     -0.08333333       0.08333333       0.00000000 1.0 
     -0.10416667       0.10416667       0.00000000 1.0 
     -0.12500000       0.12500000       0.00000000 1.0 
     -0.14583333       0.14583333       0.00000000 1.0 
     -0.16666667       0.16666667       0.00000000 1.0 
     -0.18750000       0.18750000       0.00000000 1.0 
     -0.20833333       0.20833333       0.00000000 1.0 
     -0.22916667       0.22916667       0.00000000 1.0 
     -0.25000000       0.25000000       0.00000000 1.0 
     -0.27083333       0.27083333       0.00000000 1.0 
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     -0.31250000       0.31250000       0.00000000 1.0 
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     -0.41666667       0.41666667       0.00000000 1.0 
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     -0.46452711       0.53547289       0.00000000 1.0 
     -0.45861496       0.54138504       0.00000000 1.0 
     -0.45270281       0.54729719       0.00000000 1.0 
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     -0.44087851       0.55912149       0.00000000 1.0 
     -0.43496636       0.56503364       0.00000000 1.0 
     -0.42905421       0.57094579       0.00000000 1.0 
     -0.42314206       0.57685794       0.00000000 1.0 
     -0.41722991       0.58277009       0.00000000 1.0 
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     -0.39949347       0.60050653       0.00000000 1.0 
     -0.39358132       0.60641868       0.00000000 1.0 
     -0.38766917       0.61233083       0.00000000 1.0 
     -0.38175702       0.61824298       0.00000000 1.0 
     -0.37584487       0.62415513       0.00000000 1.0 
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     -0.33445983       0.66554017       0.00000000 1.0 
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     -0.31081123       0.68918877       0.00000000 1.0 
     -0.30489908       0.69510092       0.00000000 1.0 
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     -0.29307478       0.70692522       0.00000000 1.0 
     -0.28716263       0.71283737       0.00000000 1.0 
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     -0.26942619       0.73057381       0.05000000 1.0 
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     -0.26942619       0.73057381       0.15000000 1.0 
     -0.26942619       0.73057381       0.20000000 1.0 
     -0.26942619       0.73057381       0.25000000 1.0 
     -0.26942619       0.73057381       0.30000000 1.0 
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     -0.29307478       0.70692522       0.50000000 1.0 
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     -0.31081123       0.68918877       0.50000000 1.0 
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     -0.47916667       0.47916667       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

