! Pwscf input file created with ciftopw.py 
! Compound: SrPSe3
&control
         calculation     = 'bands'
         prefix          = 'SrPSe3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.7171860023320011
         celldm(2)       =            0.8940677966101693
         celldm(3)       =            1.5290120348503977
         celldm(4)       =            0.5630957911926054
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       40.00000000
         ecutrho         =      263.00000000
         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
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
186
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02135124       0.52056108 1.0 
      0.00000000       0.04270248       0.54112216 1.0 
      0.00000000       0.06405373       0.56168323 1.0 
      0.00000000       0.08540497       0.58224431 1.0 
      0.00000000       0.10675621       0.60280539 1.0 
      0.00000000       0.12810745       0.62336647 1.0 
      0.00000000       0.14945870       0.64392755 1.0 
      0.00000000       0.17080994       0.66448863 1.0 
      0.00000000       0.19216118       0.68504970 1.0 
      0.00000000       0.21351242       0.70561078 1.0 
      0.00000000       0.23486367       0.72617186 1.0 
      0.00000000       0.25621491       0.74673294 1.0 
      0.00000000       0.27756615       0.76729402 1.0 
      0.00000000       0.29891739       0.78785509 1.0 
      0.00000000       0.32026864       0.80841617 1.0 
      0.00000000       0.34161988       0.82897725 1.0 
      0.00000000       0.36297112       0.84953833 1.0 
      0.00000000       0.38432236       0.87009941 1.0 
      0.00000000       0.40567361       0.89066048 1.0 
      0.00000000       0.42702485       0.91122156 1.0 
      0.00000000       0.44837609       0.93178264 1.0 
      0.00000000       0.46972733       0.95234372 1.0 
      0.00000000       0.49107857       0.97290480 1.0 
      0.00000000       0.49107857       0.97290480 1.0 
      0.00000000       0.49163616       0.94334825 1.0 
      0.00000000       0.49219375       0.91379170 1.0 
      0.00000000       0.49275134       0.88423515 1.0 
      0.00000000       0.49330893       0.85467860 1.0 
      0.00000000       0.49386652       0.82512205 1.0 
      0.00000000       0.49442411       0.79556550 1.0 
      0.00000000       0.49498170       0.76600895 1.0 
      0.00000000       0.49553929       0.73645240 1.0 
      0.00000000       0.49609688       0.70689585 1.0 
      0.00000000       0.49665447       0.67733930 1.0 
      0.00000000       0.49721205       0.64778275 1.0 
      0.00000000       0.49776964       0.61822620 1.0 
      0.00000000       0.49832723       0.58866965 1.0 
      0.00000000       0.49888482       0.55911310 1.0 
      0.00000000       0.49944241       0.52955655 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02380952       0.50000000       0.50000000 1.0 
      0.04761905       0.50000000       0.50000000 1.0 
      0.07142857       0.50000000       0.50000000 1.0 
      0.09523810       0.50000000       0.50000000 1.0 
      0.11904762       0.50000000       0.50000000 1.0 
      0.14285714       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.19047619       0.50000000       0.50000000 1.0 
      0.21428571       0.50000000       0.50000000 1.0 
      0.23809524       0.50000000       0.50000000 1.0 
      0.26190476       0.50000000       0.50000000 1.0 
      0.28571429       0.50000000       0.50000000 1.0 
      0.30952381       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.35714286       0.50000000       0.50000000 1.0 
      0.38095238       0.50000000       0.50000000 1.0 
      0.40476190       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.45238095       0.50000000       0.50000000 1.0 
      0.47619048       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50055759       0.47044345 1.0 
      0.50000000       0.50111518       0.44088690 1.0 
      0.50000000       0.50167277       0.41133035 1.0 
      0.50000000       0.50223036       0.38177380 1.0 
      0.50000000       0.50278795       0.35221725 1.0 
      0.50000000       0.50334553       0.32266070 1.0 
      0.50000000       0.50390312       0.29310415 1.0 
      0.50000000       0.50446071       0.26354760 1.0 
      0.50000000       0.50501830       0.23399105 1.0 
      0.50000000       0.50557589       0.20443450 1.0 
      0.50000000       0.50613348       0.17487795 1.0 
      0.50000000       0.50669107       0.14532140 1.0 
      0.50000000       0.50724866       0.11576485 1.0 
      0.50000000       0.50780625       0.08620830 1.0 
      0.50000000       0.50836384       0.05665175 1.0 
      0.50000000       0.50892143       0.02709520 1.0 
      0.50000000       0.50892143       0.02709520 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47619048       0.50000000      -0.00000000 1.0 
      0.45238095       0.50000000      -0.00000000 1.0 
      0.42857143       0.50000000      -0.00000000 1.0 
      0.40476190       0.50000000      -0.00000000 1.0 
      0.38095238       0.50000000      -0.00000000 1.0 
      0.35714286       0.50000000      -0.00000000 1.0 
      0.33333333       0.50000000      -0.00000000 1.0 
      0.30952381       0.50000000      -0.00000000 1.0 
      0.28571429       0.50000000      -0.00000000 1.0 
      0.26190476       0.50000000      -0.00000000 1.0 
      0.23809524       0.50000000      -0.00000000 1.0 
      0.21428571       0.50000000      -0.00000000 1.0 
      0.19047619       0.50000000      -0.00000000 1.0 
      0.16666667       0.50000000      -0.00000000 1.0 
      0.14285714       0.50000000      -0.00000000 1.0 
      0.11904762       0.50000000      -0.00000000 1.0 
      0.09523810       0.50000000      -0.00000000 1.0 
      0.07142857       0.50000000      -0.00000000 1.0 
      0.04761905       0.50000000      -0.00000000 1.0 
      0.02380952       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50892143       0.02709520 1.0 
      0.50000000       0.49107857       0.97290480 1.0 
      0.50000000       0.46972733       0.95234372 1.0 
      0.50000000       0.44837609       0.93178264 1.0 
      0.50000000       0.42702485       0.91122156 1.0 
      0.50000000       0.40567361       0.89066048 1.0 
      0.50000000       0.38432236       0.87009941 1.0 
      0.50000000       0.36297112       0.84953833 1.0 
      0.50000000       0.34161988       0.82897725 1.0 
      0.50000000       0.32026864       0.80841617 1.0 
      0.50000000       0.29891739       0.78785509 1.0 
      0.50000000       0.27756615       0.76729402 1.0 
      0.50000000       0.25621491       0.74673294 1.0 
      0.50000000       0.23486367       0.72617186 1.0 
      0.50000000       0.21351242       0.70561078 1.0 
      0.50000000       0.19216118       0.68504970 1.0 
      0.50000000       0.17080994       0.66448863 1.0 
      0.50000000       0.14945870       0.64392755 1.0 
      0.50000000       0.12810745       0.62336647 1.0 
      0.50000000       0.10675621       0.60280539 1.0 
      0.50000000       0.08540497       0.58224431 1.0 
      0.50000000       0.06405373       0.56168323 1.0 
      0.50000000       0.04270248       0.54112216 1.0 
      0.50000000       0.02135124       0.52056108 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21875000 1.0 
      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.03125000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02380952       0.00000000       0.50000000 1.0 
      0.04761905       0.00000000       0.50000000 1.0 
      0.07142857       0.00000000       0.50000000 1.0 
      0.09523810       0.00000000       0.50000000 1.0 
      0.11904762       0.00000000       0.50000000 1.0 
      0.14285714       0.00000000       0.50000000 1.0 
      0.16666667       0.00000000       0.50000000 1.0 
      0.19047619       0.00000000       0.50000000 1.0 
      0.21428571       0.00000000       0.50000000 1.0 
      0.23809524       0.00000000       0.50000000 1.0 
      0.26190476       0.00000000       0.50000000 1.0 
      0.28571429       0.00000000       0.50000000 1.0 
      0.30952381       0.00000000       0.50000000 1.0 
      0.33333333       0.00000000       0.50000000 1.0 
      0.35714286       0.00000000       0.50000000 1.0 
      0.38095238       0.00000000       0.50000000 1.0 
      0.40476190       0.00000000       0.50000000 1.0 
      0.42857143       0.00000000       0.50000000 1.0 
      0.45238095       0.00000000       0.50000000 1.0 
      0.47619048       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

