! Pwscf input file created with ciftopw.py 
! Compound: NaAsS2
&control
         calculation     = 'bands'
         prefix          = 'NaAsS2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           21.3633523056449981
         celldm(2)       =            0.4941176470588236
         celldm(3)       =            0.5189739053516145
         celldm(4)       =            0.0514644677560440
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
217
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01851852 1.0 
      0.00000000       0.00000000       0.03703704 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.07407407 1.0 
      0.00000000       0.00000000       0.09259259 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.12962963 1.0 
      0.00000000       0.00000000       0.14814815 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.18518519 1.0 
      0.00000000       0.00000000       0.20370370 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.24074074 1.0 
      0.00000000       0.00000000       0.25925926 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.29629630 1.0 
      0.00000000       0.00000000       0.31481481 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.35185185 1.0 
      0.00000000       0.00000000       0.37037037 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.40740741 1.0 
      0.00000000       0.00000000       0.42592593 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.46296296 1.0 
      0.00000000       0.00000000       0.48148148 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01765789       0.50095447 1.0 
      0.00000000       0.03531577       0.50190894 1.0 
      0.00000000       0.05297366       0.50286340 1.0 
      0.00000000       0.07063155       0.50381787 1.0 
      0.00000000       0.08828944       0.50477234 1.0 
      0.00000000       0.10594732       0.50572681 1.0 
      0.00000000       0.12360521       0.50668128 1.0 
      0.00000000       0.14126310       0.50763574 1.0 
      0.00000000       0.15892099       0.50859021 1.0 
      0.00000000       0.17657887       0.50954468 1.0 
      0.00000000       0.19423676       0.51049915 1.0 
      0.00000000       0.21189465       0.51145362 1.0 
      0.00000000       0.22955254       0.51240808 1.0 
      0.00000000       0.24721042       0.51336255 1.0 
      0.00000000       0.26486831       0.51431702 1.0 
      0.00000000       0.28252620       0.51527149 1.0 
      0.00000000       0.30018409       0.51622596 1.0 
      0.00000000       0.31784197       0.51718042 1.0 
      0.00000000       0.33549986       0.51813489 1.0 
      0.00000000       0.35315775       0.51908936 1.0 
      0.00000000       0.37081564       0.52004383 1.0 
      0.00000000       0.38847352       0.52099830 1.0 
      0.00000000       0.40613141       0.52195276 1.0 
      0.00000000       0.42378930       0.52290723 1.0 
      0.00000000       0.44144719       0.52386170 1.0 
      0.00000000       0.45910507       0.52481617 1.0 
      0.00000000       0.47676296       0.52577064 1.0 
      0.00000000       0.47676296       0.52577064 1.0 
      0.00000000       0.48838148       0.51288532 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.03571429       0.50000000       0.50000000 1.0 
      0.07142857       0.50000000       0.50000000 1.0 
      0.10714286       0.50000000       0.50000000 1.0 
      0.14285714       0.50000000       0.50000000 1.0 
      0.17857143       0.50000000       0.50000000 1.0 
      0.21428571       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.28571429       0.50000000       0.50000000 1.0 
      0.32142857       0.50000000       0.50000000 1.0 
      0.35714286       0.50000000       0.50000000 1.0 
      0.39285714       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.46428571       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.51161852       0.48711468 1.0 
      0.50000000       0.52323704       0.47422936 1.0 
      0.50000000       0.52323704       0.47422936 1.0 
      0.50000000       0.52234331       0.45598977 1.0 
      0.50000000       0.52144957       0.43775018 1.0 
      0.50000000       0.52055584       0.41951059 1.0 
      0.50000000       0.51966211       0.40127100 1.0 
      0.50000000       0.51876838       0.38303141 1.0 
      0.50000000       0.51787464       0.36479182 1.0 
      0.50000000       0.51698091       0.34655223 1.0 
      0.50000000       0.51608718       0.32831264 1.0 
      0.50000000       0.51519345       0.31007305 1.0 
      0.50000000       0.51429972       0.29183345 1.0 
      0.50000000       0.51340598       0.27359386 1.0 
      0.50000000       0.51251225       0.25535427 1.0 
      0.50000000       0.51161852       0.23711468 1.0 
      0.50000000       0.51072479       0.21887509 1.0 
      0.50000000       0.50983105       0.20063550 1.0 
      0.50000000       0.50893732       0.18239591 1.0 
      0.50000000       0.50804359       0.16415632 1.0 
      0.50000000       0.50714986       0.14591673 1.0 
      0.50000000       0.50625613       0.12767714 1.0 
      0.50000000       0.50536239       0.10943755 1.0 
      0.50000000       0.50446866       0.09119795 1.0 
      0.50000000       0.50357493       0.07295836 1.0 
      0.50000000       0.50268120       0.05471877 1.0 
      0.50000000       0.50178746       0.03647918 1.0 
      0.50000000       0.50089373       0.01823959 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.46428571       0.50000000       0.00000000 1.0 
      0.42857143       0.50000000       0.00000000 1.0 
      0.39285714       0.50000000       0.00000000 1.0 
      0.35714286       0.50000000       0.00000000 1.0 
      0.32142857       0.50000000       0.00000000 1.0 
      0.28571429       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.21428571       0.50000000       0.00000000 1.0 
      0.17857143       0.50000000       0.00000000 1.0 
      0.14285714       0.50000000       0.00000000 1.0 
      0.10714286       0.50000000       0.00000000 1.0 
      0.07142857       0.50000000       0.00000000 1.0 
      0.03571429       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50089373       0.01823959 1.0 
      0.00000000       0.50178746       0.03647918 1.0 
      0.00000000       0.50268120       0.05471877 1.0 
      0.00000000       0.50357493       0.07295836 1.0 
      0.00000000       0.50446866       0.09119795 1.0 
      0.00000000       0.50536239       0.10943755 1.0 
      0.00000000       0.50625613       0.12767714 1.0 
      0.00000000       0.50714986       0.14591673 1.0 
      0.00000000       0.50804359       0.16415632 1.0 
      0.00000000       0.50893732       0.18239591 1.0 
      0.00000000       0.50983105       0.20063550 1.0 
      0.00000000       0.51072479       0.21887509 1.0 
      0.00000000       0.51161852       0.23711468 1.0 
      0.00000000       0.51251225       0.25535427 1.0 
      0.00000000       0.51340598       0.27359386 1.0 
      0.00000000       0.51429972       0.29183345 1.0 
      0.00000000       0.51519345       0.31007305 1.0 
      0.00000000       0.51608718       0.32831264 1.0 
      0.00000000       0.51698091       0.34655223 1.0 
      0.00000000       0.51787464       0.36479182 1.0 
      0.00000000       0.51876838       0.38303141 1.0 
      0.00000000       0.51966211       0.40127100 1.0 
      0.00000000       0.52055584       0.41951059 1.0 
      0.00000000       0.52144957       0.43775018 1.0 
      0.00000000       0.52234331       0.45598977 1.0 
      0.00000000       0.52323704       0.47422936 1.0 
      0.50000000       0.47676296       0.52577064 1.0 
      0.50000000       0.45910507       0.52481617 1.0 
      0.50000000       0.44144719       0.52386170 1.0 
      0.50000000       0.42378930       0.52290723 1.0 
      0.50000000       0.40613141       0.52195276 1.0 
      0.50000000       0.38847352       0.52099830 1.0 
      0.50000000       0.37081564       0.52004383 1.0 
      0.50000000       0.35315775       0.51908936 1.0 
      0.50000000       0.33549986       0.51813489 1.0 
      0.50000000       0.31784197       0.51718042 1.0 
      0.50000000       0.30018409       0.51622596 1.0 
      0.50000000       0.28252620       0.51527149 1.0 
      0.50000000       0.26486831       0.51431702 1.0 
      0.50000000       0.24721042       0.51336255 1.0 
      0.50000000       0.22955254       0.51240808 1.0 
      0.50000000       0.21189465       0.51145362 1.0 
      0.50000000       0.19423676       0.51049915 1.0 
      0.50000000       0.17657887       0.50954468 1.0 
      0.50000000       0.15892099       0.50859021 1.0 
      0.50000000       0.14126310       0.50763574 1.0 
      0.50000000       0.12360521       0.50668128 1.0 
      0.50000000       0.10594732       0.50572681 1.0 
      0.50000000       0.08828944       0.50477234 1.0 
      0.50000000       0.07063155       0.50381787 1.0 
      0.50000000       0.05297366       0.50286340 1.0 
      0.50000000       0.03531577       0.50190894 1.0 
      0.50000000       0.01765789       0.50095447 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.48148148 1.0 
      0.50000000       0.00000000       0.46296296 1.0 
      0.50000000       0.00000000       0.44444444 1.0 
      0.50000000       0.00000000       0.42592593 1.0 
      0.50000000       0.00000000       0.40740741 1.0 
      0.50000000       0.00000000       0.38888889 1.0 
      0.50000000       0.00000000       0.37037037 1.0 
      0.50000000       0.00000000       0.35185185 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.31481481 1.0 
      0.50000000       0.00000000       0.29629630 1.0 
      0.50000000       0.00000000       0.27777778 1.0 
      0.50000000       0.00000000       0.25925926 1.0 
      0.50000000       0.00000000       0.24074074 1.0 
      0.50000000       0.00000000       0.22222222 1.0 
      0.50000000       0.00000000       0.20370370 1.0 
      0.50000000       0.00000000       0.18518519 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.14814815 1.0 
      0.50000000       0.00000000       0.12962963 1.0 
      0.50000000       0.00000000       0.11111111 1.0 
      0.50000000       0.00000000       0.09259259 1.0 
      0.50000000       0.00000000       0.07407407 1.0 
      0.50000000       0.00000000       0.05555556 1.0 
      0.50000000       0.00000000       0.03703704 1.0 
      0.50000000       0.00000000       0.01851852 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.03571429       0.00000000       0.50000000 1.0 
      0.07142857       0.00000000       0.50000000 1.0 
      0.10714286       0.00000000       0.50000000 1.0 
      0.14285714       0.00000000       0.50000000 1.0 
      0.17857143       0.00000000       0.50000000 1.0 
      0.21428571       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.28571429       0.00000000       0.50000000 1.0 
      0.32142857       0.00000000       0.50000000 1.0 
      0.35714286       0.00000000       0.50000000 1.0 
      0.39285714       0.00000000       0.50000000 1.0 
      0.42857143       0.00000000       0.50000000 1.0 
      0.46428571       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

