! Pwscf input file created with ciftopw.py 
! Compound: TaCuN2
&control
         calculation     = 'bands'
         prefix          = 'TaCuN2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.4926176954891890
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.8663303059163724
         celldm(5)       =            0.8663303059163724
         celldm(6)       =            0.8663303059163726
         nat             =        4
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      321.00000000
         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
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
382
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      0.56340563       0.56340563       0.37318874 1.0 
      0.56052355       0.56052355       0.37895289 1.0 
      0.55764148       0.55764148       0.38471704 1.0 
      0.55475941       0.55475941       0.39048119 1.0 
      0.55187733       0.55187733       0.39624534 1.0 
      0.54899526       0.54899526       0.40200948 1.0 
      0.54611318       0.54611318       0.40777363 1.0 
      0.54323111       0.54323111       0.41353778 1.0 
      0.54034904       0.54034904       0.41930193 1.0 
      0.53746696       0.53746696       0.42506608 1.0 
      0.53458489       0.53458489       0.43083022 1.0 
      0.53170281       0.53170281       0.43659437 1.0 
      0.52882074       0.52882074       0.44235852 1.0 
      0.52593867       0.52593867       0.44812267 1.0 
      0.52305659       0.52305659       0.45388682 1.0 
      0.52017452       0.52017452       0.45965096 1.0 
      0.51729244       0.51729244       0.46541511 1.0 
      0.51441037       0.51441037       0.47117926 1.0 
      0.51152830       0.51152830       0.47694341 1.0 
      0.50864622       0.50864622       0.48270756 1.0 
      0.50576415       0.50576415       0.48847170 1.0 
      0.50288207       0.50288207       0.49423585 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51668569       0.01797294       0.01797294 1.0 
      0.53337138       0.03594589       0.03594589 1.0 
      0.55005707       0.05391883       0.05391883 1.0 
      0.56674277       0.07189177       0.07189177 1.0 
      0.58342846       0.08986472       0.08986472 1.0 
      0.60011415       0.10783766       0.10783766 1.0 
      0.61679984       0.12581061       0.12581061 1.0 
      0.63348553       0.14378355       0.14378355 1.0 
      0.65017122       0.16175649       0.16175649 1.0 
      0.66685691       0.17972944       0.17972944 1.0 
      0.68354261       0.19770238       0.19770238 1.0 
      0.70022830       0.21567532       0.21567532 1.0 
      0.71691399       0.23364827       0.23364827 1.0 
      0.73359968       0.25162121       0.25162121 1.0 
      0.75028537       0.26959416       0.26959416 1.0 
      0.76697106       0.28756710       0.28756710 1.0 
      0.78365676       0.30554004       0.30554004 1.0 
      0.80034245       0.32351299       0.32351299 1.0 
      0.81702814       0.34148593       0.34148593 1.0 

