! Pwscf input file created with ciftopw.py 
! Compound: K2TiS3
&control
         calculation     = 'bands'
         prefix          = 'K2TiS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.5423793244013968
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9061834909951058
         celldm(4)       =            0.0257108698114672
         celldm(5)       =            0.0257108698114672
         celldm(6)       =            0.3252448439527525
         nat             =       12
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ti  47.8670 Ti.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
225
      0.00000000       0.00000000       0.00000000 1.0 
      0.01851852       0.01851852      -0.00000000 1.0 
      0.03703704       0.03703704      -0.00000000 1.0 
      0.05555556       0.05555556      -0.00000000 1.0 
      0.07407407       0.07407407      -0.00000000 1.0 
      0.09259259       0.09259259      -0.00000000 1.0 
      0.11111111       0.11111111      -0.00000000 1.0 
      0.12962963       0.12962963      -0.00000000 1.0 
      0.14814815       0.14814815      -0.00000000 1.0 
      0.16666667       0.16666667      -0.00000000 1.0 
      0.18518519       0.18518519      -0.00000000 1.0 
      0.20370370       0.20370370      -0.00000000 1.0 
      0.22222222       0.22222222      -0.00000000 1.0 
      0.24074074       0.24074074      -0.00000000 1.0 
      0.25925926       0.25925926      -0.00000000 1.0 
      0.27777778       0.27777778      -0.00000000 1.0 
      0.29629630       0.29629630      -0.00000000 1.0 
      0.31481481       0.31481481      -0.00000000 1.0 
      0.33333333       0.33333333      -0.00000000 1.0 
      0.35185185       0.35185185      -0.00000000 1.0 
      0.37037037       0.37037037      -0.00000000 1.0 
      0.38888889       0.38888889      -0.00000000 1.0 
      0.40740741       0.40740741      -0.00000000 1.0 
      0.42592593       0.42592593      -0.00000000 1.0 
      0.44444444       0.44444444      -0.00000000 1.0 
      0.46296296       0.46296296      -0.00000000 1.0 
      0.48148148       0.48148148      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50057088       0.50057088       0.02012088 1.0 
      0.50114177       0.50114177       0.04024175 1.0 
      0.50171265       0.50171265       0.06036263 1.0 
      0.50228353       0.50228353       0.08048350 1.0 
      0.50285442       0.50285442       0.10060438 1.0 
      0.50342530       0.50342530       0.12072526 1.0 
      0.50399618       0.50399618       0.14084613 1.0 
      0.50456707       0.50456707       0.16096701 1.0 
      0.50513795       0.50513795       0.18108789 1.0 
      0.50570884       0.50570884       0.20120876 1.0 
      0.50627972       0.50627972       0.22132964 1.0 
      0.50685060       0.50685060       0.24145051 1.0 
      0.50742149       0.50742149       0.26157139 1.0 
      0.50799237       0.50799237       0.28169227 1.0 
      0.50856325       0.50856325       0.30181314 1.0 
      0.50913414       0.50913414       0.32193402 1.0 
      0.50970502       0.50970502       0.34205490 1.0 
      0.51027590       0.51027590       0.36217577 1.0 
      0.51084679       0.51084679       0.38229665 1.0 
      0.51141767       0.51141767       0.40241752 1.0 
      0.51198855       0.51198855       0.42253840 1.0 
      0.51255944       0.51255944       0.44265928 1.0 
      0.51313032       0.51313032       0.46278015 1.0 
      0.51370120       0.51370120       0.48290103 1.0 
      0.51370120       0.51370120       0.48290103 1.0 
      0.50685060       0.50685060       0.49145051 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51298144       0.48701856       0.50000000 1.0 
      0.52596288       0.47403712       0.50000000 1.0 
      0.53894431       0.46105569       0.50000000 1.0 
      0.55192575       0.44807425       0.50000000 1.0 
      0.56490719       0.43509281       0.50000000 1.0 
      0.57788863       0.42211137       0.50000000 1.0 
      0.59087007       0.40912993       0.50000000 1.0 
      0.60385150       0.39614850       0.50000000 1.0 
      0.61683294       0.38316706       0.50000000 1.0 
      0.62981438       0.37018562       0.50000000 1.0 
      0.37018562      -0.37018562       0.50000000 1.0 
      0.35696471      -0.35696471       0.50000000 1.0 
      0.34374379      -0.34374379       0.50000000 1.0 
      0.33052288      -0.33052288       0.50000000 1.0 
      0.31730196      -0.31730196       0.50000000 1.0 
      0.30408105      -0.30408105       0.50000000 1.0 
      0.29086013      -0.29086013       0.50000000 1.0 
      0.27763922      -0.27763922       0.50000000 1.0 
      0.26441830      -0.26441830       0.50000000 1.0 
      0.25119739      -0.25119739       0.50000000 1.0 
      0.23797647      -0.23797647       0.50000000 1.0 
      0.22475556      -0.22475556       0.50000000 1.0 
      0.21153464      -0.21153464       0.50000000 1.0 
      0.19831373      -0.19831373       0.50000000 1.0 
      0.18509281      -0.18509281       0.50000000 1.0 
      0.17187190      -0.17187190       0.50000000 1.0 
      0.15865098      -0.15865098       0.50000000 1.0 
      0.14543007      -0.14543007       0.50000000 1.0 
      0.13220915      -0.13220915       0.50000000 1.0 
      0.11898824      -0.11898824       0.50000000 1.0 
      0.10576732      -0.10576732       0.50000000 1.0 
      0.09254641      -0.09254641       0.50000000 1.0 
      0.07932549      -0.07932549       0.50000000 1.0 
      0.06610458      -0.06610458       0.50000000 1.0 
      0.05288366      -0.05288366       0.50000000 1.0 
      0.03966275      -0.03966275       0.50000000 1.0 
      0.02644183      -0.02644183       0.50000000 1.0 
      0.01322092      -0.01322092       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01801107       0.01801107       0.50063330 1.0 
      0.03602213       0.03602213       0.50126659 1.0 
      0.05403320       0.05403320       0.50189989 1.0 
      0.07204427       0.07204427       0.50253318 1.0 
      0.09005533       0.09005533       0.50316648 1.0 
      0.10806640       0.10806640       0.50379977 1.0 
      0.12607747       0.12607747       0.50443307 1.0 
      0.14408853       0.14408853       0.50506636 1.0 
      0.16209960       0.16209960       0.50569966 1.0 
      0.18011066       0.18011066       0.50633295 1.0 
      0.19812173       0.19812173       0.50696625 1.0 
      0.21613280       0.21613280       0.50759954 1.0 
      0.23414386       0.23414386       0.50823284 1.0 
      0.25215493       0.25215493       0.50886613 1.0 
      0.27016600       0.27016600       0.50949943 1.0 
      0.28817706       0.28817706       0.51013272 1.0 
      0.30618813       0.30618813       0.51076602 1.0 
      0.32419920       0.32419920       0.51139931 1.0 
      0.34221026       0.34221026       0.51203261 1.0 
      0.36022133       0.36022133       0.51266590 1.0 
      0.37823240       0.37823240       0.51329920 1.0 
      0.39624346       0.39624346       0.51393250 1.0 
      0.41425453       0.41425453       0.51456579 1.0 
      0.43226560       0.43226560       0.51519909 1.0 
      0.45027666       0.45027666       0.51583238 1.0 
      0.46828773       0.46828773       0.51646568 1.0 
      0.48629880       0.48629880       0.51709897 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.51225841       0.48774159      -0.00000000 1.0 
      0.52451682       0.47548318      -0.00000000 1.0 
      0.53677523       0.46322477      -0.00000000 1.0 
      0.54903365       0.45096635      -0.00000000 1.0 
      0.56129206       0.43870794      -0.00000000 1.0 
      0.57355047       0.42644953      -0.00000000 1.0 
      0.58580888       0.41419112      -0.00000000 1.0 
      0.59806729       0.40193271      -0.00000000 1.0 
      0.61032570       0.38967430      -0.00000000 1.0 
      0.62258411       0.37741589      -0.00000000 1.0 
      0.37741589      -0.37741589       0.00000000 1.0 
      0.36440154      -0.36440154       0.00000000 1.0 
      0.35138720      -0.35138720       0.00000000 1.0 
      0.33837286      -0.33837286       0.00000000 1.0 
      0.32535852      -0.32535852       0.00000000 1.0 
      0.31234418      -0.31234418       0.00000000 1.0 
      0.29932984      -0.29932984       0.00000000 1.0 
      0.28631550      -0.28631550       0.00000000 1.0 
      0.27330116      -0.27330116       0.00000000 1.0 
      0.26028682      -0.26028682       0.00000000 1.0 
      0.24727248      -0.24727248       0.00000000 1.0 
      0.23425814      -0.23425814       0.00000000 1.0 
      0.22124379      -0.22124379       0.00000000 1.0 
      0.20822945      -0.20822945       0.00000000 1.0 
      0.19521511      -0.19521511       0.00000000 1.0 
      0.18220077      -0.18220077       0.00000000 1.0 
      0.16918643      -0.16918643       0.00000000 1.0 
      0.15617209      -0.15617209       0.00000000 1.0 
      0.14315775      -0.14315775       0.00000000 1.0 
      0.13014341      -0.13014341       0.00000000 1.0 
      0.11712907      -0.11712907       0.00000000 1.0 
      0.10411473      -0.10411473       0.00000000 1.0 
      0.09110039      -0.09110039       0.00000000 1.0 
      0.07808605      -0.07808605       0.00000000 1.0 
      0.06507170      -0.06507170       0.00000000 1.0 
      0.05205736      -0.05205736       0.00000000 1.0 
      0.03904302      -0.03904302       0.00000000 1.0 
      0.02602868      -0.02602868       0.00000000 1.0 
      0.01301434      -0.01301434       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02083333       0.00000000       0.00000000 1.0 
      0.04166667       0.00000000       0.00000000 1.0 
      0.06250000       0.00000000       0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.10416667       0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.14583333       0.00000000       0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20833333       0.00000000       0.00000000 1.0 
      0.22916667       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.27083333       0.00000000       0.00000000 1.0 
      0.29166667       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000      -0.00000000 1.0 
      0.33333333       0.00000000       0.00000000 1.0 
      0.35416667       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.39583333       0.00000000       0.00000000 1.0 
      0.41666667       0.00000000       0.00000000 1.0 
      0.43750000       0.00000000       0.00000000 1.0 
      0.45833333       0.00000000       0.00000000 1.0 
      0.47916667       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48529412       0.00000000       0.48529412 1.0 
      0.47058824       0.00000000       0.47058824 1.0 
      0.45588235       0.00000000       0.45588235 1.0 
      0.44117647       0.00000000       0.44117647 1.0 
      0.42647059       0.00000000       0.42647059 1.0 
      0.41176471       0.00000000       0.41176471 1.0 
      0.39705882       0.00000000       0.39705882 1.0 
      0.38235294       0.00000000       0.38235294 1.0 
      0.36764706       0.00000000       0.36764706 1.0 
      0.35294118       0.00000000       0.35294118 1.0 
      0.33823529       0.00000000       0.33823529 1.0 
      0.32352941       0.00000000       0.32352941 1.0 
      0.30882353       0.00000000       0.30882353 1.0 
      0.29411765       0.00000000       0.29411765 1.0 
      0.27941176       0.00000000       0.27941176 1.0 
      0.26470588       0.00000000       0.26470588 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23529412       0.00000000       0.23529412 1.0 
      0.22058824       0.00000000       0.22058824 1.0 
      0.20588235       0.00000000       0.20588235 1.0 
      0.19117647       0.00000000       0.19117647 1.0 
      0.17647059      -0.00000000       0.17647059 1.0 
      0.16176471       0.00000000       0.16176471 1.0 
      0.14705882       0.00000000       0.14705882 1.0 
      0.13235294      -0.00000000       0.13235294 1.0 
      0.11764706       0.00000000       0.11764706 1.0 
      0.10294118       0.00000000       0.10294118 1.0 
      0.08823529       0.00000000       0.08823529 1.0 
      0.07352941       0.00000000       0.07352941 1.0 
      0.05882353       0.00000000       0.05882353 1.0 
      0.04411765      -0.00000000       0.04411765 1.0 
      0.02941176       0.00000000       0.02941176 1.0 
      0.01470588      -0.00000000       0.01470588 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

