! Pwscf input file created with ciftopw.py 
! Compound: C4S3N5
&control
         calculation     = 'bands'
         prefix          = 'C4S3N5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.4009658566984005
         celldm(2)       =            1.8910833183372322
         celldm(3)       =            2.1754093935576746
         celldm(4)       =            0.3199516349857384
         celldm(5)       =            0.0125660398833526
         celldm(6)       =            0.0383878090875201
         nat             =       24
         ntyp            =        3
         ecutwfc         =       44.00000000
         ecutrho         =      327.00000000
         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 
 C  12.0107 C.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
224
      0.50000000       0.00000000      -0.00000000 1.0 
      0.48611111       0.00000000       0.00000000 1.0 
      0.47222222      -0.00000000      -0.00000000 1.0 
      0.45833333       0.00000000      -0.00000000 1.0 
      0.44444444       0.00000000      -0.00000000 1.0 
      0.43055556       0.00000000      -0.00000000 1.0 
      0.41666667       0.00000000      -0.00000000 1.0 
      0.40277778       0.00000000      -0.00000000 1.0 
      0.38888889      -0.00000000      -0.00000000 1.0 
      0.37500000       0.00000000      -0.00000000 1.0 
      0.36111111       0.00000000      -0.00000000 1.0 
      0.34722222       0.00000000      -0.00000000 1.0 
      0.33333333      -0.00000000      -0.00000000 1.0 
      0.31944444       0.00000000       0.00000000 1.0 
      0.30555556       0.00000000      -0.00000000 1.0 
      0.29166667      -0.00000000      -0.00000000 1.0 
      0.27777778       0.00000000      -0.00000000 1.0 
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      0.25000000       0.00000000      -0.00000000 1.0 
      0.23611111      -0.00000000      -0.00000000 1.0 
      0.22222222       0.00000000      -0.00000000 1.0 
      0.20833333       0.00000000       0.00000000 1.0 
      0.19444444      -0.00000000      -0.00000000 1.0 
      0.18055556      -0.00000000      -0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.15277778       0.00000000       0.00000000 1.0 
      0.13888889       0.00000000       0.00000000 1.0 
      0.12500000       0.00000000      -0.00000000 1.0 
      0.11111111       0.00000000       0.00000000 1.0 
      0.09722222       0.00000000       0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.06944444       0.00000000       0.00000000 1.0 
      0.05555556      -0.00000000      -0.00000000 1.0 
      0.04166667       0.00000000       0.00000000 1.0 
      0.02777778       0.00000000       0.00000000 1.0 
      0.01388889      -0.00000000      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.00000000       0.02500000       0.00000000 1.0 
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      0.00000000       0.07500000      -0.00000000 1.0 
      0.00000000       0.10000000       0.00000000 1.0 
      0.00000000       0.12500000       0.00000000 1.0 
      0.00000000       0.15000000      -0.00000000 1.0 
      0.00000000       0.17500000      -0.00000000 1.0 
      0.00000000       0.20000000       0.00000000 1.0 
      0.00000000       0.22500000       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.27500000      -0.00000000 1.0 
      0.00000000       0.30000000      -0.00000000 1.0 
      0.00000000       0.32500000       0.00000000 1.0 
      0.00000000       0.35000000      -0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
      0.00000000       0.42500000       0.00000000 1.0 
      0.00000000       0.45000000       0.00000000 1.0 
      0.00000000       0.47500000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.48750000       0.48750000      -0.00000000 1.0 
      0.47500000       0.47500000      -0.00000000 1.0 
      0.46250000       0.46250000      -0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.43750000       0.43750000      -0.00000000 1.0 
      0.42500000       0.42500000      -0.00000000 1.0 
      0.41250000       0.41250000      -0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.38750000       0.38750000       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.36250000       0.36250000      -0.00000000 1.0 
      0.35000000       0.35000000      -0.00000000 1.0 
      0.33750000       0.33750000      -0.00000000 1.0 
      0.32500000       0.32500000      -0.00000000 1.0 
      0.31250000       0.31250000      -0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.28750000       0.28750000      -0.00000000 1.0 
      0.27500000       0.27500000      -0.00000000 1.0 
      0.26250000       0.26250000      -0.00000000 1.0 
      0.25000000       0.25000000      -0.00000000 1.0 
      0.23750000       0.23750000      -0.00000000 1.0 
      0.22500000       0.22500000       0.00000000 1.0 
      0.21250000       0.21250000      -0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.17500000       0.17500000       0.00000000 1.0 
      0.16250000       0.16250000      -0.00000000 1.0 
      0.15000000       0.15000000      -0.00000000 1.0 
      0.13750000       0.13750000       0.00000000 1.0 
      0.12500000       0.12500000      -0.00000000 1.0 
      0.11250000       0.11250000      -0.00000000 1.0 
      0.10000000       0.10000000      -0.00000000 1.0 
      0.08750000       0.08750000       0.00000000 1.0 
      0.07500000       0.07500000      -0.00000000 1.0 
      0.06250000       0.06250000      -0.00000000 1.0 
      0.05000000       0.05000000      -0.00000000 1.0 
      0.03750000       0.03750000      -0.00000000 1.0 
      0.02500000       0.02500000      -0.00000000 1.0 
      0.01250000       0.01250000      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02777778 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36111111 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48750000      -0.00000000       0.48750000 1.0 
      0.47500000      -0.00000000       0.47500000 1.0 
      0.46250000       0.00000000       0.46250000 1.0 
      0.45000000       0.00000000       0.45000000 1.0 
      0.43750000       0.00000000       0.43750000 1.0 
      0.42500000      -0.00000000       0.42500000 1.0 
      0.41250000       0.00000000       0.41250000 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.38750000       0.00000000       0.38750000 1.0 
      0.37500000       0.00000000       0.37500000 1.0 
      0.36250000       0.00000000       0.36250000 1.0 
      0.35000000       0.00000000       0.35000000 1.0 
      0.33750000       0.00000000       0.33750000 1.0 
      0.32500000      -0.00000000       0.32500000 1.0 
      0.31250000       0.00000000       0.31250000 1.0 
      0.30000000      -0.00000000       0.30000000 1.0 
      0.28750000       0.00000000       0.28750000 1.0 
      0.27500000       0.00000000       0.27500000 1.0 
      0.26250000       0.00000000       0.26250000 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23750000      -0.00000000       0.23750000 1.0 
      0.22500000      -0.00000000       0.22500000 1.0 
      0.21250000       0.00000000       0.21250000 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.18750000      -0.00000000       0.18750000 1.0 
      0.17500000      -0.00000000       0.17500000 1.0 
      0.16250000      -0.00000000       0.16250000 1.0 
      0.15000000      -0.00000000       0.15000000 1.0 
      0.13750000       0.00000000       0.13750000 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.11250000      -0.00000000       0.11250000 1.0 
      0.10000000      -0.00000000       0.10000000 1.0 
      0.08750000      -0.00000000       0.08750000 1.0 
      0.07500000       0.00000000       0.07500000 1.0 
      0.06250000      -0.00000000       0.06250000 1.0 
      0.05000000       0.00000000       0.05000000 1.0 
      0.03750000       0.00000000       0.03750000 1.0 
      0.02500000       0.00000000       0.02500000 1.0 
      0.01250000      -0.00000000       0.01250000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.02272727       0.02272727 1.0 
      0.00000000       0.04545455       0.04545455 1.0 
      0.00000000       0.06818182       0.06818182 1.0 
      0.00000000       0.09090909       0.09090909 1.0 
      0.00000000       0.11363636       0.11363636 1.0 
      0.00000000       0.13636364       0.13636364 1.0 
      0.00000000       0.15909091       0.15909091 1.0 
      0.00000000       0.18181818       0.18181818 1.0 
      0.00000000       0.20454545       0.20454545 1.0 
      0.00000000       0.22727273       0.22727273 1.0 
      0.00000000       0.25000000       0.25000000 1.0 
      0.00000000       0.27272727       0.27272727 1.0 
      0.00000000       0.29545455       0.29545455 1.0 
      0.00000000       0.31818182       0.31818182 1.0 
      0.00000000       0.34090909       0.34090909 1.0 
      0.00000000       0.36363636       0.36363636 1.0 
      0.00000000       0.38636364       0.38636364 1.0 
      0.00000000       0.40909091       0.40909091 1.0 
      0.00000000       0.43181818       0.43181818 1.0 
      0.00000000       0.45454545       0.45454545 1.0 
      0.00000000       0.47727273       0.47727273 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48780488       0.48780488       0.48780488 1.0 
      0.47560976       0.47560976       0.47560976 1.0 
      0.46341463       0.46341463       0.46341463 1.0 
      0.45121951       0.45121951       0.45121951 1.0 
      0.43902439       0.43902439       0.43902439 1.0 
      0.42682927       0.42682927       0.42682927 1.0 
      0.41463415       0.41463415       0.41463415 1.0 
      0.40243902       0.40243902       0.40243902 1.0 
      0.39024390       0.39024390       0.39024390 1.0 
      0.37804878       0.37804878       0.37804878 1.0 
      0.36585366       0.36585366       0.36585366 1.0 
      0.35365854       0.35365854       0.35365854 1.0 
      0.34146341       0.34146341       0.34146341 1.0 
      0.32926829       0.32926829       0.32926829 1.0 
      0.31707317       0.31707317       0.31707317 1.0 
      0.30487805       0.30487805       0.30487805 1.0 
      0.29268293       0.29268293       0.29268293 1.0 
      0.28048780       0.28048780       0.28048780 1.0 
      0.26829268       0.26829268       0.26829268 1.0 
      0.25609756       0.25609756       0.25609756 1.0 
      0.24390244       0.24390244       0.24390244 1.0 
      0.23170732       0.23170732       0.23170732 1.0 
      0.21951220       0.21951220       0.21951220 1.0 
      0.20731707       0.20731707       0.20731707 1.0 
      0.19512195       0.19512195       0.19512195 1.0 
      0.18292683       0.18292683       0.18292683 1.0 
      0.17073171       0.17073171       0.17073171 1.0 
      0.15853659       0.15853659       0.15853659 1.0 
      0.14634146       0.14634146       0.14634146 1.0 
      0.13414634       0.13414634       0.13414634 1.0 
      0.12195122       0.12195122       0.12195122 1.0 
      0.10975610       0.10975610       0.10975610 1.0 
      0.09756098       0.09756098       0.09756098 1.0 
      0.08536585       0.08536585       0.08536585 1.0 
      0.07317073       0.07317073       0.07317073 1.0 
      0.06097561       0.06097561       0.06097561 1.0 
      0.04878049       0.04878049       0.04878049 1.0 
      0.03658537       0.03658537       0.03658537 1.0 
      0.02439024       0.02439024       0.02439024 1.0 
      0.01219512       0.01219512       0.01219512 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

