! Pwscf input file created with ciftopw.py 
! Compound: BaCuN
&control
         calculation     = 'bands'
         prefix          = 'BaCuN'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.6430702798043679
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.2231603469420274
         celldm(4)       =            0.2092848095496799
         celldm(5)       =            0.2092848095496799
         celldm(6)       =            0.7416468430116748
         nat             =       18
         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
Ba 137.3270 Ba.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
251
      0.00000000       0.00000000       0.00000000 1.0 
      0.02173913       0.02173913      -0.00000000 1.0 
      0.04347826       0.04347826      -0.00000000 1.0 
      0.06521739       0.06521739       0.00000000 1.0 
      0.08695652       0.08695652      -0.00000000 1.0 
      0.10869565       0.10869565      -0.00000000 1.0 
      0.13043478       0.13043478       0.00000000 1.0 
      0.15217391       0.15217391       0.00000000 1.0 
      0.17391304       0.17391304      -0.00000000 1.0 
      0.19565217       0.19565217      -0.00000000 1.0 
      0.21739130       0.21739130      -0.00000000 1.0 
      0.23913043       0.23913043      -0.00000000 1.0 
      0.26086957       0.26086957       0.00000000 1.0 
      0.28260870       0.28260870       0.00000000 1.0 
      0.30434783       0.30434783       0.00000000 1.0 
      0.32608696       0.32608696       0.00000000 1.0 
      0.34782609       0.34782609      -0.00000000 1.0 
      0.36956522       0.36956522      -0.00000000 1.0 
      0.39130435       0.39130435      -0.00000000 1.0 
      0.41304348       0.41304348       0.00000000 1.0 
      0.43478261       0.43478261      -0.00000000 1.0 
      0.45652174       0.45652174       0.00000000 1.0 
      0.47826087       0.47826087      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50489239       0.50489239       0.02859349 1.0 
      0.50978479       0.50978479       0.05718698 1.0 
      0.51467718       0.51467718       0.08578047 1.0 
      0.51956958       0.51956958       0.11437396 1.0 
      0.52446197       0.52446197       0.14296745 1.0 
      0.52935437       0.52935437       0.17156094 1.0 
      0.53424676       0.53424676       0.20015443 1.0 
      0.53913916       0.53913916       0.22874792 1.0 
      0.54403155       0.54403155       0.25734141 1.0 
      0.54892395       0.54892395       0.28593490 1.0 
      0.55381634       0.55381634       0.31452839 1.0 
      0.55870874       0.55870874       0.34312188 1.0 
      0.56360113       0.56360113       0.37171537 1.0 
      0.56360113       0.56360113       0.37171537 1.0 
      0.55300094       0.55300094       0.39309614 1.0 
      0.54240075       0.54240075       0.41447692 1.0 
      0.53180057       0.53180057       0.43585769 1.0 
      0.52120038       0.52120038       0.45723846 1.0 
      0.51060019       0.51060019       0.47861923 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.50862746       0.49137254       0.50000000 1.0 
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      0.55176475       0.44823525       0.50000000 1.0 
      0.56039221       0.43960779       0.50000000 1.0 
      0.56901967       0.43098033       0.50000000 1.0 
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      0.59490205       0.40509795       0.50000000 1.0 
      0.60352951       0.39647049       0.50000000 1.0 
      0.61215696       0.38784304       0.50000000 1.0 
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      0.64666680       0.35333320       0.50000000 1.0 
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      0.15507341      -0.15507341       0.50000000 1.0 
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      0.13784304      -0.13784304       0.50000000 1.0 
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      0.11199747      -0.11199747       0.50000000 1.0 
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      0.08615190      -0.08615190       0.50000000 1.0 
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      0.04307595      -0.04307595       0.50000000 1.0 
      0.03446076      -0.03446076       0.50000000 1.0 
      0.02584557      -0.02584557       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02296836       0.02296836       0.50675182 1.0 
      0.04593672       0.04593672       0.51350364 1.0 
      0.06890508       0.06890508       0.52025547 1.0 
      0.09187345       0.09187345       0.52700729 1.0 
      0.11484181       0.11484181       0.53375911 1.0 
      0.13781017       0.13781017       0.54051093 1.0 
      0.16077853       0.16077853       0.54726276 1.0 
      0.18374689       0.18374689       0.55401458 1.0 
      0.20671525       0.20671525       0.56076640 1.0 
      0.22968362       0.22968362       0.56751822 1.0 
      0.25265198       0.25265198       0.57427005 1.0 
      0.27562034       0.27562034       0.58102187 1.0 
      0.29858870       0.29858870       0.58777369 1.0 
      0.32155706       0.32155706       0.59452551 1.0 
      0.34452542       0.34452542       0.60127734 1.0 
      0.36749378       0.36749378       0.60802916 1.0 
      0.39046215       0.39046215       0.61478098 1.0 
      0.41343051       0.41343051       0.62153280 1.0 
      0.43639887       0.43639887       0.62828463 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50878964       0.49121036       0.00000000 1.0 
      0.51757928       0.48242072       0.00000000 1.0 
      0.52636892       0.47363108       0.00000000 1.0 
      0.53515856       0.46484144       0.00000000 1.0 
      0.54394820       0.45605180       0.00000000 1.0 
      0.55273784       0.44726216       0.00000000 1.0 
      0.56152748       0.43847252       0.00000000 1.0 
      0.57031712       0.42968288       0.00000000 1.0 
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      0.66700315       0.33299685       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

