! Pwscf input file created with ciftopw.py 
! Compound: Ba4Na(BN2)3
&control
         calculation     = 'bands'
         prefix          = 'Ba4NaxBN2x3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.9562446820315973
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.3333333333333331
         celldm(5)       =           -0.3333333333333331
         celldm(6)       =           -0.3333333333333331
         nat             =       14
         ntyp            =        4
         ecutwfc         =       67.00000000
         ecutrho         =      325.00000000
         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 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-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
194
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000      -0.01250000       0.01250000 1.0 
      0.02500000      -0.02500000       0.02500000 1.0 
      0.03750000      -0.03750000       0.03750000 1.0 
      0.05000000      -0.05000000       0.05000000 1.0 
      0.06250000      -0.06250000       0.06250000 1.0 
      0.07500000      -0.07500000       0.07500000 1.0 
      0.08750000      -0.08750000       0.08750000 1.0 
      0.10000000      -0.10000000       0.10000000 1.0 
      0.11250000      -0.11250000       0.11250000 1.0 
      0.12500000      -0.12500000       0.12500000 1.0 
      0.13750000      -0.13750000       0.13750000 1.0 
      0.15000000      -0.15000000       0.15000000 1.0 
      0.16250000      -0.16250000       0.16250000 1.0 
      0.17500000      -0.17500000       0.17500000 1.0 
      0.18750000      -0.18750000       0.18750000 1.0 
      0.20000000      -0.20000000       0.20000000 1.0 
      0.21250000      -0.21250000       0.21250000 1.0 
      0.22500000      -0.22500000       0.22500000 1.0 
      0.23750000      -0.23750000       0.23750000 1.0 
      0.25000000      -0.25000000       0.25000000 1.0 
      0.26250000      -0.26250000       0.26250000 1.0 
      0.27500000      -0.27500000       0.27500000 1.0 
      0.28750000      -0.28750000       0.28750000 1.0 
      0.30000000      -0.30000000       0.30000000 1.0 
      0.31250000      -0.31250000       0.31250000 1.0 
      0.32500000      -0.32500000       0.32500000 1.0 
      0.33750000      -0.33750000       0.33750000 1.0 
      0.35000000      -0.35000000       0.35000000 1.0 
      0.36250000      -0.36250000       0.36250000 1.0 
      0.37500000      -0.37500000       0.37500000 1.0 
      0.38750000      -0.38750000       0.38750000 1.0 
      0.40000000      -0.40000000       0.40000000 1.0 
      0.41250000      -0.41250000       0.41250000 1.0 
      0.42500000      -0.42500000       0.42500000 1.0 
      0.43750000      -0.43750000       0.43750000 1.0 
      0.45000000      -0.45000000       0.45000000 1.0 
      0.46250000      -0.46250000       0.46250000 1.0 
      0.47500000      -0.47500000       0.47500000 1.0 
      0.48750000      -0.48750000       0.48750000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.48275862      -0.48275862       0.50000000 1.0 
      0.46551724      -0.46551724       0.50000000 1.0 
      0.44827586      -0.44827586       0.50000000 1.0 
      0.43103448      -0.43103448       0.50000000 1.0 
      0.41379310      -0.41379310       0.50000000 1.0 
      0.39655172      -0.39655172       0.50000000 1.0 
      0.37931034      -0.37931034       0.50000000 1.0 
      0.36206897      -0.36206897       0.50000000 1.0 
      0.34482759      -0.34482759       0.50000000 1.0 
      0.32758621      -0.32758621       0.50000000 1.0 
      0.31034483      -0.31034483       0.50000000 1.0 
      0.29310345      -0.29310345       0.50000000 1.0 
      0.27586207      -0.27586207       0.50000000 1.0 
      0.25862069      -0.25862069       0.50000000 1.0 
      0.24137931      -0.24137931       0.50000000 1.0 
      0.22413793      -0.22413793       0.50000000 1.0 
      0.20689655      -0.20689655       0.50000000 1.0 
      0.18965517      -0.18965517       0.50000000 1.0 
      0.17241379      -0.17241379       0.50000000 1.0 
      0.15517241      -0.15517241       0.50000000 1.0 
      0.13793103      -0.13793103       0.50000000 1.0 
      0.12068966      -0.12068966       0.50000000 1.0 
      0.10344828      -0.10344828       0.50000000 1.0 
      0.08620690      -0.08620690       0.50000000 1.0 
      0.06896552      -0.06896552       0.50000000 1.0 
      0.05172414      -0.05172414       0.50000000 1.0 
      0.03448276      -0.03448276       0.50000000 1.0 
      0.01724138      -0.01724138       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.48275862 1.0 
      0.00000000       0.00000000       0.46551724 1.0 
      0.00000000       0.00000000       0.44827586 1.0 
      0.00000000       0.00000000       0.43103448 1.0 
      0.00000000       0.00000000       0.41379310 1.0 
      0.00000000       0.00000000       0.39655172 1.0 
      0.00000000       0.00000000       0.37931034 1.0 
      0.00000000       0.00000000       0.36206897 1.0 
      0.00000000       0.00000000       0.34482759 1.0 
      0.00000000       0.00000000       0.32758621 1.0 
      0.00000000       0.00000000       0.31034483 1.0 
      0.00000000       0.00000000       0.29310345 1.0 
      0.00000000       0.00000000       0.27586207 1.0 
      0.00000000       0.00000000       0.25862069 1.0 
      0.00000000       0.00000000       0.24137931 1.0 
      0.00000000       0.00000000       0.22413793 1.0 
      0.00000000       0.00000000       0.20689655 1.0 
      0.00000000       0.00000000       0.18965517 1.0 
      0.00000000       0.00000000       0.17241379 1.0 
      0.00000000       0.00000000       0.15517241 1.0 
      0.00000000       0.00000000       0.13793103 1.0 
      0.00000000       0.00000000       0.12068966 1.0 
      0.00000000       0.00000000       0.10344828 1.0 
      0.00000000       0.00000000       0.08620690 1.0 
      0.00000000       0.00000000       0.06896552 1.0 
      0.00000000       0.00000000       0.05172414 1.0 
      0.00000000       0.00000000       0.03448276 1.0 
      0.00000000       0.00000000       0.01724138 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00714286       0.00714286       0.00714286 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.02142857       0.02142857       0.02142857 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.03571429       0.03571429       0.03571429 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.05000000       0.05000000       0.05000000 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.06428571       0.06428571       0.06428571 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.07857143       0.07857143       0.07857143 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.09285714       0.09285714       0.09285714 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.10714286       0.10714286       0.10714286 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.12142857       0.12142857       0.12142857 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.13571429       0.13571429       0.13571429 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.15000000       0.15000000       0.15000000 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.16428571       0.16428571       0.16428571 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.17857143       0.17857143       0.17857143 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.19285714       0.19285714       0.19285714 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.20714286       0.20714286       0.20714286 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.22142857       0.22142857       0.22142857 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.23571429       0.23571429       0.23571429 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25714286       0.22857143       0.25714286 1.0 
      0.26428571       0.20714286       0.26428571 1.0 
      0.27142857       0.18571429       0.27142857 1.0 
      0.27857143       0.16428571       0.27857143 1.0 
      0.28571429       0.14285714       0.28571429 1.0 
      0.29285714       0.12142857       0.29285714 1.0 
      0.30000000       0.10000000       0.30000000 1.0 
      0.30714286       0.07857143       0.30714286 1.0 
      0.31428571       0.05714286       0.31428571 1.0 
      0.32142857       0.03571429       0.32142857 1.0 
      0.32857143       0.01428571       0.32857143 1.0 
      0.33571429      -0.00714286       0.33571429 1.0 
      0.34285714      -0.02857143       0.34285714 1.0 
      0.35000000      -0.05000000       0.35000000 1.0 
      0.35714286      -0.07142857       0.35714286 1.0 
      0.36428571      -0.09285714       0.36428571 1.0 
      0.37142857      -0.11428571       0.37142857 1.0 
      0.37857143      -0.13571429       0.37857143 1.0 
      0.38571429      -0.15714286       0.38571429 1.0 
      0.39285714      -0.17857143       0.39285714 1.0 
      0.40000000      -0.20000000       0.40000000 1.0 
      0.40714286      -0.22142857       0.40714286 1.0 
      0.41428571      -0.24285714       0.41428571 1.0 
      0.42142857      -0.26428571       0.42142857 1.0 
      0.42857143      -0.28571429       0.42857143 1.0 
      0.43571429      -0.30714286       0.43571429 1.0 
      0.44285714      -0.32857143       0.44285714 1.0 
      0.45000000      -0.35000000       0.45000000 1.0 
      0.45714286      -0.37142857       0.45714286 1.0 
      0.46428571      -0.39285714       0.46428571 1.0 
      0.47142857      -0.41428571       0.47142857 1.0 
      0.47857143      -0.43571429       0.47857143 1.0 
      0.48571429      -0.45714286       0.48571429 1.0 
      0.49285714      -0.47857143       0.49285714 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23750000       0.23750000       0.26250000 1.0 
      0.22500000       0.22500000       0.27500000 1.0 
      0.21250000       0.21250000       0.28750000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.17500000       0.17500000       0.32500000 1.0 
      0.16250000       0.16250000       0.33750000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.13750000       0.13750000       0.36250000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.11250000       0.11250000       0.38750000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.08750000       0.08750000       0.41250000 1.0 
      0.07500000       0.07500000       0.42500000 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.03750000       0.03750000       0.46250000 1.0 
      0.02500000       0.02500000       0.47500000 1.0 
      0.01250000       0.01250000       0.48750000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 

