! Pwscf input file created with ciftopw.py ! Compound: InCo3SnS2 &control calculation = 'bands' prefix = 'InCo3SnS2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 10.2833484497945431 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000002 celldm(4) = 0.5231760981515450 celldm(5) = 0.5231760981515450 celldm(6) = 0.5231760981515451 nat = 7 ntyp = 4 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 In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF Co 58.9332 Co.rel-pbe-oncvpsp.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 269 0.00000000 0.00000000 0.00000000 1.0 0.01351351 -0.00000000 0.00000000 1.0 0.02702703 -0.00000000 0.00000000 1.0 0.04054054 -0.00000000 -0.00000000 1.0 0.05405405 -0.00000000 0.00000000 1.0 0.06756757 -0.00000000 -0.00000000 1.0 0.08108108 -0.00000000 -0.00000000 1.0 0.09459459 -0.00000000 -0.00000000 1.0 0.10810811 -0.00000000 0.00000000 1.0 0.12162162 -0.00000000 0.00000000 1.0 0.13513514 -0.00000000 -0.00000000 1.0 0.14864865 0.00000000 -0.00000000 1.0 0.16216216 -0.00000000 -0.00000000 1.0 0.17567568 0.00000000 0.00000000 1.0 0.18918919 -0.00000000 -0.00000000 1.0 0.20270270 -0.00000000 -0.00000000 1.0 0.21621622 -0.00000000 0.00000000 1.0 0.22972973 0.00000000 0.00000000 1.0 0.24324324 -0.00000000 0.00000000 1.0 0.25675676 0.00000000 -0.00000000 1.0 0.27027027 -0.00000000 -0.00000000 1.0 0.28378378 -0.00000000 -0.00000000 1.0 0.29729730 0.00000000 -0.00000000 1.0 0.31081081 0.00000000 -0.00000000 1.0 0.32432432 -0.00000000 -0.00000000 1.0 0.33783784 0.00000000 0.00000000 1.0 0.35135135 0.00000000 0.00000000 1.0 0.36486486 0.00000000 0.00000000 1.0 0.37837838 -0.00000000 -0.00000000 1.0 0.39189189 0.00000000 0.00000000 1.0 0.40540541 -0.00000000 -0.00000000 1.0 0.41891892 0.00000000 -0.00000000 1.0 0.43243243 -0.00000000 0.00000000 1.0 0.44594595 0.00000000 0.00000000 1.0 0.45945946 0.00000000 0.00000000 1.0 0.47297297 -0.00000000 0.00000000 1.0 0.48648649 -0.00000000 0.00000000 1.0 0.50000000 0.00000000 -0.00000000 1.0 0.50000000 0.00000000 -0.00000000 1.0 0.50000000 0.00842542 -0.00842542 1.0 0.50000000 0.01685084 -0.01685084 1.0 0.50000000 0.02527626 -0.02527626 1.0 0.50000000 0.03370169 -0.03370169 1.0 0.50000000 0.04212711 -0.04212711 1.0 0.50000000 0.05055253 -0.05055253 1.0 0.50000000 0.05897795 -0.05897795 1.0 0.50000000 0.06740337 -0.06740337 1.0 0.50000000 0.07582879 -0.07582879 1.0 0.50000000 0.08425421 -0.08425421 1.0 0.50000000 0.09267963 -0.09267963 1.0 0.50000000 0.10110506 -0.10110506 1.0 0.50000000 0.10953048 -0.10953048 1.0 0.50000000 0.11795590 -0.11795590 1.0 0.50000000 0.12638132 -0.12638132 1.0 0.50000000 0.13480674 -0.13480674 1.0 0.50000000 0.14323216 -0.14323216 1.0 0.50000000 0.15165758 -0.15165758 1.0 0.50000000 0.16008300 -0.16008300 1.0 0.50000000 0.16850843 -0.16850843 1.0 0.50000000 0.17693385 -0.17693385 1.0 0.50000000 0.18535927 -0.18535927 1.0 0.50000000 0.19378469 -0.19378469 1.0 0.50000000 0.20221011 -0.20221011 1.0 0.50000000 0.21063553 -0.21063553 1.0 0.50000000 0.21906095 -0.21906095 1.0 0.50000000 0.22748637 -0.22748637 1.0 0.50000000 0.23591180 -0.23591180 1.0 0.50000000 0.24433722 -0.24433722 1.0 0.75566278 0.50000000 0.24433722 1.0 0.74741560 0.50000000 0.25258440 1.0 0.73916841 0.50000000 0.26083159 1.0 0.73092122 0.50000000 0.26907878 1.0 0.72267404 0.50000000 0.27732596 1.0 0.71442685 0.50000000 0.28557315 1.0 0.70617966 0.50000000 0.29382034 1.0 0.69793248 0.50000000 0.30206752 1.0 0.68968529 0.50000000 0.31031471 1.0 0.68143810 0.50000000 0.31856190 1.0 0.67319092 0.50000000 0.32680908 1.0 0.66494373 0.50000000 0.33505627 1.0 0.65669654 0.50000000 0.34330346 1.0 0.64844936 0.50000000 0.35155064 1.0 0.64020217 0.50000000 0.35979783 1.0 0.63195498 0.50000000 0.36804502 1.0 0.62370780 0.50000000 0.37629220 1.0 0.61546061 0.50000000 0.38453939 1.0 0.60721343 0.50000000 0.39278657 1.0 0.59896624 0.50000000 0.40103376 1.0 0.59071905 0.50000000 0.40928095 1.0 0.58247187 0.50000000 0.41752813 1.0 0.57422468 0.50000000 0.42577532 1.0 0.56597749 0.50000000 0.43402251 1.0 0.55773031 0.50000000 0.44226969 1.0 0.54948312 0.50000000 0.45051688 1.0 0.54123593 0.50000000 0.45876407 1.0 0.53298875 0.50000000 0.46701125 1.0 0.52474156 0.50000000 0.47525844 1.0 0.51649437 0.50000000 0.48350563 1.0 0.50824719 0.50000000 0.49175281 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48571429 0.48571429 0.48571429 1.0 0.47142857 0.47142857 0.47142857 1.0 0.45714286 0.45714286 0.45714286 1.0 0.44285714 0.44285714 0.44285714 1.0 0.42857143 0.42857143 0.42857143 1.0 0.41428571 0.41428571 0.41428571 1.0 0.40000000 0.40000000 0.40000000 1.0 0.38571429 0.38571429 0.38571429 1.0 0.37142857 0.37142857 0.37142857 1.0 0.35714286 0.35714286 0.35714286 1.0 0.34285714 0.34285714 0.34285714 1.0 0.32857143 0.32857143 0.32857143 1.0 0.31428571 0.31428571 0.31428571 1.0 0.30000000 0.30000000 0.30000000 1.0 0.28571429 0.28571429 0.28571429 1.0 0.27142857 0.27142857 0.27142857 1.0 0.25714286 0.25714286 0.25714286 1.0 0.24285714 0.24285714 0.24285714 1.0 0.22857143 0.22857143 0.22857143 1.0 0.21428571 0.21428571 0.21428571 1.0 0.20000000 0.20000000 0.20000000 1.0 0.18571429 0.18571429 0.18571429 1.0 0.17142857 0.17142857 0.17142857 1.0 0.15714286 0.15714286 0.15714286 1.0 0.14285714 0.14285714 0.14285714 1.0 0.12857143 0.12857143 0.12857143 1.0 0.11428571 0.11428571 0.11428571 1.0 0.10000000 0.10000000 0.10000000 1.0 0.08571429 0.08571429 0.08571429 1.0 0.07142857 0.07142857 0.07142857 1.0 0.05714286 0.05714286 0.05714286 1.0 0.04285714 0.04285714 0.04285714 1.0 0.02857143 0.02857143 0.02857143 1.0 0.01428571 0.01428571 0.01428571 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00827041 -0.00000000 -0.00827041 1.0 0.01654083 -0.00000000 -0.01654083 1.0 0.02481124 0.00000000 -0.02481124 1.0 0.03308165 -0.00000000 -0.03308165 1.0 0.04135207 -0.00000000 -0.04135207 1.0 0.04962248 0.00000000 -0.04962248 1.0 0.05789289 0.00000000 -0.05789289 1.0 0.06616331 -0.00000000 -0.06616331 1.0 0.07443372 0.00000000 -0.07443372 1.0 0.08270414 -0.00000000 -0.08270414 1.0 0.09097455 -0.00000000 -0.09097455 1.0 0.09924496 0.00000000 -0.09924496 1.0 0.10751538 -0.00000000 -0.10751538 1.0 0.11578579 0.00000000 -0.11578579 1.0 0.12405620 -0.00000000 -0.12405620 1.0 0.13232662 -0.00000000 -0.13232662 1.0 0.14059703 -0.00000000 -0.14059703 1.0 0.14886744 0.00000000 -0.14886744 1.0 0.15713786 -0.00000000 -0.15713786 1.0 0.16540827 -0.00000000 -0.16540827 1.0 0.17367868 -0.00000000 -0.17367868 1.0 0.18194910 -0.00000000 -0.18194910 1.0 0.19021951 -0.00000000 -0.19021951 1.0 0.19848992 0.00000000 -0.19848992 1.0 0.20676034 0.00000000 -0.20676034 1.0 0.21503075 -0.00000000 -0.21503075 1.0 0.22330117 0.00000000 -0.22330117 1.0 0.23157158 0.00000000 -0.23157158 1.0 0.23984199 -0.00000000 -0.23984199 1.0 0.24811241 -0.00000000 -0.24811241 1.0 0.25638282 -0.00000000 -0.25638282 1.0 0.26465323 -0.00000000 -0.26465323 1.0 0.27292365 -0.00000000 -0.27292365 1.0 0.28119406 -0.00000000 -0.28119406 1.0 0.28946447 -0.00000000 -0.28946447 1.0 0.29773489 0.00000000 -0.29773489 1.0 0.30600530 0.00000000 -0.30600530 1.0 0.31427571 -0.00000000 -0.31427571 1.0 0.32254613 0.00000000 -0.32254613 1.0 0.33081654 -0.00000000 -0.33081654 1.0 0.33908695 -0.00000000 -0.33908695 1.0 0.34735737 -0.00000000 -0.34735737 1.0 0.35562778 -0.00000000 -0.35562778 1.0 0.36389819 -0.00000000 -0.36389819 1.0 0.37216861 -0.00000000 -0.37216861 1.0 0.62783139 0.37216861 -0.00000000 1.0 0.61984193 0.38015807 -0.00000000 1.0 0.61185247 0.38814753 -0.00000000 1.0 0.60386301 0.39613699 -0.00000000 1.0 0.59587354 0.40412646 -0.00000000 1.0 0.58788408 0.41211592 -0.00000000 1.0 0.57989462 0.42010538 -0.00000000 1.0 0.57190516 0.42809484 -0.00000000 1.0 0.56391570 0.43608430 -0.00000000 1.0 0.55592623 0.44407377 -0.00000000 1.0 0.54793677 0.45206323 -0.00000000 1.0 0.53994731 0.46005269 -0.00000000 1.0 0.53195785 0.46804215 -0.00000000 1.0 0.52396839 0.47603161 -0.00000000 1.0 0.51597892 0.48402108 -0.00000000 1.0 0.50798946 0.49201054 -0.00000000 1.0 0.50000000 0.50000000 -0.00000000 1.0 0.50000000 0.50000000 -0.00000000 1.0 0.50852209 0.50852209 0.01628915 1.0 0.51704419 0.51704419 0.03257830 1.0 0.52556628 0.52556628 0.04886744 1.0 0.53408837 0.53408837 0.06515659 1.0 0.54261046 0.54261046 0.08144574 1.0 0.55113256 0.55113256 0.09773489 1.0 0.55965465 0.55965465 0.11402403 1.0 0.56817674 0.56817674 0.13031318 1.0 0.57669883 0.57669883 0.14660233 1.0 0.58522093 0.58522093 0.16289148 1.0 0.59374302 0.59374302 0.17918063 1.0 0.60226511 0.60226511 0.19546977 1.0 0.61078721 0.61078721 0.21175892 1.0 0.61930930 0.61930930 0.22804807 1.0 0.62783139 0.62783139 0.24433722 1.0 0.62783139 0.62783139 0.24433722 1.0 0.62309690 0.62309690 0.25380621 1.0 0.61836240 0.61836240 0.26327520 1.0 0.61362790 0.61362790 0.27274419 1.0 0.60889341 0.60889341 0.28221318 1.0 0.60415891 0.60415891 0.29168218 1.0 0.59942442 0.59942442 0.30115117 1.0 0.59468992 0.59468992 0.31062016 1.0 0.58995542 0.58995542 0.32008915 1.0 0.58522093 0.58522093 0.32955814 1.0 0.58048643 0.58048643 0.33902714 1.0 0.57575194 0.57575194 0.34849613 1.0 0.57101744 0.57101744 0.35796512 1.0 0.56628294 0.56628294 0.36743411 1.0 0.56154845 0.56154845 0.37690310 1.0 0.55681395 0.55681395 0.38637210 1.0 0.55207946 0.55207946 0.39584109 1.0 0.54734496 0.54734496 0.40531008 1.0 0.54261046 0.54261046 0.41477907 1.0 0.53787597 0.53787597 0.42424806 1.0 0.53314147 0.53314147 0.43371706 1.0 0.52840698 0.52840698 0.44318605 1.0 0.52367248 0.52367248 0.45265504 1.0 0.51893798 0.51893798 0.46212403 1.0 0.51420349 0.51420349 0.47159302 1.0 0.50946899 0.50946899 0.48106202 1.0 0.50473450 0.50473450 0.49053101 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 -0.00000000 1.0 0.51022651 0.01488674 0.01488674 1.0 0.52045302 0.02977349 0.02977349 1.0 0.53067953 0.04466023 0.04466023 1.0 0.54090605 0.05954698 0.05954698 1.0 0.55113256 0.07443372 0.07443372 1.0 0.56135907 0.08932047 0.08932047 1.0 0.57158558 0.10420721 0.10420721 1.0 0.58181209 0.11909395 0.11909395 1.0 0.59203860 0.13398070 0.13398070 1.0 0.60226511 0.14886744 0.14886744 1.0 0.61249162 0.16375419 0.16375419 1.0 0.62271814 0.17864093 0.17864093 1.0 0.63294465 0.19352768 0.19352768 1.0 0.64317116 0.20841442 0.20841442 1.0 0.65339767 0.22330117 0.22330117 1.0 0.66362418 0.23818791 0.23818791 1.0 0.67385069 0.25307465 0.25307465 1.0 0.68407720 0.26796140 0.26796140 1.0 0.69430372 0.28284814 0.28284814 1.0 0.70453023 0.29773489 0.29773489 1.0 0.71475674 0.31262163 0.31262163 1.0 0.72498325 0.32750838 0.32750838 1.0 0.73520976 0.34239512 0.34239512 1.0 0.74543627 0.35728186 0.35728186 1.0 0.75566278 0.37216861 0.37216861 1.0