! Pwscf input file created with pymatgen.py 
! Compound: Cu3SbSe4
&control
         calculation     = 'bands'
         prefix          = 'Cu3SbSe4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.0695414531452059
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6650207227468972
         celldm(5)       =           -0.6650207227468972
         celldm(6)       =            0.3300414454937937
         nat             =        8
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      242.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Se  78.9600 Se_MT_PBE.UPF 
Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
272
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01250000 1.0 
      0.00000000       0.00000000       0.02500000 1.0 
      0.00000000       0.00000000       0.03750000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000      -0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.07500000 1.0 
      0.00000000       0.00000000       0.08750000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000      -0.00000000       0.11250000 1.0 
      0.00000000      -0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.13750000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.16250000 1.0 
      0.00000000       0.00000000       0.17500000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.21250000 1.0 
      0.00000000      -0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.23750000 1.0 
      0.00000000      -0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.26250000 1.0 
      0.00000000       0.00000000       0.27500000 1.0 
      0.00000000       0.00000000       0.28750000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.32500000 1.0 
      0.00000000       0.00000000       0.33750000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.36250000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000      -0.00000000       0.38750000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000      -0.00000000       0.41250000 1.0 
      0.00000000       0.00000000       0.42500000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000      -0.00000000       0.45000000 1.0 
      0.00000000      -0.00000000       0.46250000 1.0 
      0.00000000       0.00000000       0.47500000 1.0 
      0.00000000       0.00000000       0.48750000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01259281       0.01259281       0.50000000 1.0 
     -0.02518563       0.02518563       0.50000000 1.0 
     -0.03777844       0.03777844       0.50000000 1.0 
     -0.05037125       0.05037125       0.50000000 1.0 
     -0.06296407       0.06296407       0.50000000 1.0 
     -0.07555688       0.07555688       0.50000000 1.0 
     -0.08814969       0.08814969       0.50000000 1.0 
     -0.10074251       0.10074251       0.50000000 1.0 
     -0.11333532       0.11333532       0.50000000 1.0 
     -0.12592813       0.12592813       0.50000000 1.0 
     -0.12592813       0.12592813       0.50000000 1.0 
     -0.13483461       0.13483461       0.49109353 1.0 
     -0.14374108       0.14374108       0.48218705 1.0 
     -0.15264755       0.15264755       0.47328058 1.0 
     -0.16155403       0.16155403       0.46437411 1.0 
     -0.17046050       0.17046050       0.45546764 1.0 
     -0.17936697       0.17936697       0.44656116 1.0 
     -0.18827345       0.18827345       0.43765469 1.0 
     -0.19717992       0.19717992       0.42874822 1.0 
     -0.20608639       0.20608639       0.41984174 1.0 
     -0.21499286       0.21499286       0.41093527 1.0 
     -0.22389934       0.22389934       0.40202880 1.0 
     -0.23280581       0.23280581       0.39312232 1.0 
     -0.24171228       0.24171228       0.38421585 1.0 
     -0.25061876       0.25061876       0.37530938 1.0 
     -0.25952523       0.25952523       0.36640291 1.0 
     -0.26843170       0.26843170       0.35749643 1.0 
     -0.27733818       0.27733818       0.34858996 1.0 
     -0.28624465       0.28624465       0.33968349 1.0 
     -0.29515112       0.29515112       0.33077701 1.0 
     -0.30405759       0.30405759       0.32187054 1.0 
     -0.31296407       0.31296407       0.31296407 1.0 
     -0.31296407       0.31296407       0.31296407 1.0 
     -0.30402224       0.30402224       0.30402224 1.0 
     -0.29508041       0.29508041       0.29508041 1.0 
     -0.28613858       0.28613858       0.28613858 1.0 
     -0.27719675       0.27719675       0.27719675 1.0 
     -0.26825491       0.26825491       0.26825491 1.0 
     -0.25931308       0.25931308       0.25931308 1.0 
     -0.25037125       0.25037125       0.25037125 1.0 
     -0.24142942       0.24142942       0.24142942 1.0 
     -0.23248759       0.23248759       0.23248759 1.0 
     -0.22354576       0.22354576       0.22354576 1.0 
     -0.21460393       0.21460393       0.21460393 1.0 
     -0.20566210       0.20566210       0.20566210 1.0 
     -0.19672027       0.19672027       0.19672027 1.0 
     -0.18777844       0.18777844       0.18777844 1.0 
     -0.17883661       0.17883661       0.17883661 1.0 
     -0.16989478       0.16989478       0.16989478 1.0 
     -0.16095295       0.16095295       0.16095295 1.0 
     -0.15201112       0.15201112       0.15201112 1.0 
     -0.14306929       0.14306929       0.14306929 1.0 
     -0.13412746       0.13412746       0.13412746 1.0 
     -0.12518563       0.12518563       0.12518563 1.0 
     -0.11624380       0.11624380       0.11624380 1.0 
     -0.10730197       0.10730197       0.10730197 1.0 
     -0.09836014       0.09836014       0.09836014 1.0 
     -0.08941830       0.08941830       0.08941830 1.0 
     -0.08047647       0.08047647       0.08047647 1.0 
     -0.07153464       0.07153464       0.07153464 1.0 
     -0.06259281       0.06259281       0.06259281 1.0 
     -0.05365098       0.05365098       0.05365098 1.0 
     -0.04470915       0.04470915       0.04470915 1.0 
     -0.03576732       0.03576732       0.03576732 1.0 
     -0.02682549       0.02682549       0.02682549 1.0 
     -0.01788366       0.01788366       0.01788366 1.0 
     -0.00894183       0.00894183       0.00894183 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01785714       0.01785714      -0.01785714 1.0 
      0.03571429       0.03571429      -0.03571429 1.0 
      0.05357143       0.05357143      -0.05357143 1.0 
      0.07142857       0.07142857      -0.07142857 1.0 
      0.08928571       0.08928571      -0.08928571 1.0 
      0.10714286       0.10714286      -0.10714286 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.14285714       0.14285714      -0.14285714 1.0 
      0.16071429       0.16071429      -0.16071429 1.0 
      0.17857143       0.17857143      -0.17857143 1.0 
      0.19642857       0.19642857      -0.19642857 1.0 
      0.21428571       0.21428571      -0.21428571 1.0 
      0.23214286       0.23214286      -0.23214286 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.26785714       0.26785714      -0.26785714 1.0 
      0.28571429       0.28571429      -0.28571429 1.0 
      0.30357143       0.30357143      -0.30357143 1.0 
      0.32142857       0.32142857      -0.32142857 1.0 
      0.33928571       0.33928571      -0.33928571 1.0 
      0.35714286       0.35714286      -0.35714286 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.39285714       0.39285714      -0.39285714 1.0 
      0.41071429       0.41071429      -0.41071429 1.0 
      0.42857143       0.42857143      -0.42857143 1.0 
      0.44642857       0.44642857      -0.44642857 1.0 
      0.46428571       0.46428571      -0.46428571 1.0 
      0.48214286       0.48214286      -0.48214286 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49109353       0.50890647      -0.49109353 1.0 
      0.48218705       0.51781295      -0.48218705 1.0 
      0.47328058       0.52671942      -0.47328058 1.0 
      0.46437411       0.53562589      -0.46437411 1.0 
      0.45546764       0.54453236      -0.45546764 1.0 
      0.44656116       0.55343884      -0.44656116 1.0 
      0.43765469       0.56234531      -0.43765469 1.0 
      0.42874822       0.57125178      -0.42874822 1.0 
      0.41984174       0.58015826      -0.41984174 1.0 
      0.41093527       0.58906473      -0.41093527 1.0 
      0.40202880       0.59797120      -0.40202880 1.0 
      0.39312232       0.60687768      -0.39312232 1.0 
      0.38421585       0.61578415      -0.38421585 1.0 
      0.37530938       0.62469062      -0.37530938 1.0 
      0.36640291       0.63359709      -0.36640291 1.0 
      0.35749643       0.64250357      -0.35749643 1.0 
      0.34858996       0.65141004      -0.34858996 1.0 
      0.33968349       0.66031651      -0.33968349 1.0 
      0.33077701       0.66922299      -0.33077701 1.0 
      0.32187054       0.67812946      -0.32187054 1.0 
      0.31296407       0.68703593      -0.31296407 1.0 
      0.31296407       0.68703593      -0.31296407 1.0 
      0.29340381       0.67534619      -0.29340381 1.0 
      0.27384356       0.66365644      -0.27384356 1.0 
      0.25428330       0.65196670      -0.25428330 1.0 
      0.23472305       0.64027695      -0.23472305 1.0 
      0.21516280       0.62858720      -0.21516280 1.0 
      0.19560254       0.61689746      -0.19560254 1.0 
      0.17604229       0.60520771      -0.17604229 1.0 
      0.15648203       0.59351797      -0.15648203 1.0 
      0.13692178       0.58182822      -0.13692178 1.0 
      0.11736153       0.57013847      -0.11736153 1.0 
      0.09780127       0.55844873      -0.09780127 1.0 
      0.07824102       0.54675898      -0.07824102 1.0 
      0.05868076       0.53506924      -0.05868076 1.0 
      0.03912051       0.52337949      -0.03912051 1.0 
      0.01956025       0.51168975      -0.01956025 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00892857       0.49107143       0.00892857 1.0 
      0.01785714       0.48214286       0.01785714 1.0 
      0.02678571       0.47321429       0.02678571 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.04464286       0.45535714       0.04464286 1.0 
      0.05357143       0.44642857       0.05357143 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.08035714       0.41964286       0.08035714 1.0 
      0.08928571       0.41071429       0.08928571 1.0 
      0.09821429       0.40178571       0.09821429 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.11607143       0.38392857       0.11607143 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13392857       0.36607143       0.13392857 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.15178571       0.34821429       0.15178571 1.0 
      0.16071429       0.33928571       0.16071429 1.0 
      0.16964286       0.33035714       0.16964286 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.19642857       0.30357143       0.19642857 1.0 
      0.20535714       0.29464286       0.20535714 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.22321429       0.27678571       0.22321429 1.0 
      0.23214286       0.26785714       0.23214286 1.0 
      0.24107143       0.25892857       0.24107143 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26388889       0.26388889       0.22911510 1.0 
      0.27777778       0.27777778       0.20823021 1.0 
      0.29166667       0.29166667       0.18734531 1.0 
      0.30555556       0.30555556       0.16646041 1.0 
      0.31944444       0.31944444       0.14557552 1.0 
      0.33333333       0.33333333       0.12469062 1.0 
      0.34722222       0.34722222       0.10380573 1.0 
      0.36111111       0.36111111       0.08292083 1.0 
      0.37500000       0.37500000       0.06203593 1.0 
      0.38888889       0.38888889       0.04115104 1.0 
      0.40277778       0.40277778       0.02026614 1.0 
      0.41666667       0.41666667      -0.00061876 1.0 
      0.43055556       0.43055556      -0.02150365 1.0 
      0.44444444       0.44444444      -0.04238855 1.0 
      0.45833333       0.45833333      -0.06327345 1.0 
      0.47222222       0.47222222      -0.08415834 1.0 
      0.48611111       0.48611111      -0.10504324 1.0 
      0.50000000       0.50000000      -0.12592813 1.0 
      0.50000000       0.50000000      -0.12592813 1.0 
      0.50000000       0.50000000      -0.13839720 1.0 
      0.50000000       0.50000000      -0.15086626 1.0 
      0.50000000       0.50000000      -0.16333532 1.0 
      0.50000000       0.50000000      -0.17580438 1.0 
      0.50000000       0.50000000      -0.18827345 1.0 
      0.50000000       0.50000000      -0.20074251 1.0 
      0.50000000       0.50000000      -0.21321157 1.0 
      0.50000000       0.50000000      -0.22568063 1.0 
      0.50000000       0.50000000      -0.23814969 1.0 
      0.50000000       0.50000000      -0.25061876 1.0 
      0.50000000       0.50000000      -0.26308782 1.0 
      0.50000000       0.50000000      -0.27555688 1.0 
      0.50000000       0.50000000      -0.28802594 1.0 
      0.50000000       0.50000000      -0.30049501 1.0 
      0.50000000       0.50000000      -0.31296407 1.0 
      0.50000000       0.50000000      -0.32543313 1.0 
      0.50000000       0.50000000      -0.33790219 1.0 
      0.50000000       0.50000000      -0.35037125 1.0 
      0.50000000       0.50000000      -0.36284032 1.0 
      0.50000000       0.50000000      -0.37530938 1.0 
      0.50000000       0.50000000      -0.38777844 1.0 
      0.50000000       0.50000000      -0.40024750 1.0 
      0.50000000       0.50000000      -0.41271656 1.0 
      0.50000000       0.50000000      -0.42518563 1.0 
      0.50000000       0.50000000      -0.43765469 1.0 
      0.50000000       0.50000000      -0.45012375 1.0 
      0.50000000       0.50000000      -0.46259281 1.0 
      0.50000000       0.50000000      -0.47506188 1.0 
      0.50000000       0.50000000      -0.48753094 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.01785714       0.01785714       0.48214286 1.0 
      0.03571429       0.03571429       0.46428571 1.0 
      0.05357143       0.05357143       0.44642857 1.0 
      0.07142857       0.07142857       0.42857143 1.0 
      0.08928571       0.08928571       0.41071429 1.0 
      0.10714286       0.10714286       0.39285714 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14285714       0.14285714       0.35714286 1.0 
      0.16071429       0.16071429       0.33928571 1.0 
      0.17857143       0.17857143       0.32142857 1.0 
      0.19642857       0.19642857       0.30357143 1.0 
      0.21428571       0.21428571       0.28571429 1.0 
      0.23214286       0.23214286       0.26785714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

