! Pwscf input file created with ciftopw.py ! Compound: RbV5S8 &control calculation = 'bands' prefix = 'RbV5S8' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 16.9368108607273840 celldm(2) = 1.0000000000000000 celldm(3) = 0.9469376850533130 celldm(4) = 0.2344461534111836 celldm(5) = 0.2344461534111836 celldm(6) = 0.9320466664230049 nat = 14 ntyp = 3 ecutwfc = 48.00000000 ecutrho = 646.00000000 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 Rb 85.4678 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF V 50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 359 0.00000000 0.00000000 0.00000000 1.0 0.02631579 0.02631579 0.00000000 1.0 0.05263158 0.05263158 0.00000000 1.0 0.07894737 0.07894737 0.00000000 1.0 0.10526316 0.10526316 0.00000000 1.0 0.13157895 0.13157895 0.00000000 1.0 0.15789474 0.15789474 0.00000000 1.0 0.18421053 0.18421053 0.00000000 1.0 0.21052632 0.21052632 0.00000000 1.0 0.23684211 0.23684211 0.00000000 1.0 0.26315789 0.26315789 0.00000000 1.0 0.28947368 0.28947368 0.00000000 1.0 0.31578947 0.31578947 0.00000000 1.0 0.34210526 0.34210526 0.00000000 1.0 0.36842105 0.36842105 0.00000000 1.0 0.39473684 0.39473684 0.00000000 1.0 0.42105263 0.42105263 0.00000000 1.0 0.44736842 0.44736842 0.00000000 1.0 0.47368421 0.47368421 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50631842 0.50631842 0.02552037 1.0 0.51263684 0.51263684 0.05104074 1.0 0.51895527 0.51895527 0.07656111 1.0 0.52527369 0.52527369 0.10208148 1.0 0.53159211 0.53159211 0.12760184 1.0 0.53791053 0.53791053 0.15312221 1.0 0.54422896 0.54422896 0.17864258 1.0 0.55054738 0.55054738 0.20416295 1.0 0.55686580 0.55686580 0.22968332 1.0 0.56318422 0.56318422 0.25520369 1.0 0.56950265 0.56950265 0.28072406 1.0 0.57582107 0.57582107 0.30624443 1.0 0.58213949 0.58213949 0.33176480 1.0 0.58845791 0.58845791 0.35728517 1.0 0.59477634 0.59477634 0.38280553 1.0 0.60109476 0.60109476 0.40832590 1.0 0.60109476 0.60109476 0.40832590 1.0 0.58424563 0.58424563 0.42360492 1.0 0.56739651 0.56739651 0.43888394 1.0 0.55054738 0.55054738 0.45416295 1.0 0.53369825 0.53369825 0.46944197 1.0 0.51684913 0.51684913 0.48472098 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50521901 0.49478099 0.50000000 1.0 0.51043801 0.48956199 0.50000000 1.0 0.51565702 0.48434298 0.50000000 1.0 0.52087602 0.47912398 0.50000000 1.0 0.52609503 0.47390497 0.50000000 1.0 0.53131403 0.46868597 0.50000000 1.0 0.53653304 0.46346696 0.50000000 1.0 0.54175204 0.45824796 0.50000000 1.0 0.54697105 0.45302895 0.50000000 1.0 0.55219005 0.44780995 0.50000000 1.0 0.55740906 0.44259094 0.50000000 1.0 0.56262806 0.43737194 0.50000000 1.0 0.56784707 0.43215293 0.50000000 1.0 0.57306607 0.42693393 0.50000000 1.0 0.57828508 0.42171492 0.50000000 1.0 0.58350408 0.41649592 0.50000000 1.0 0.58872309 0.41127691 0.50000000 1.0 0.59394209 0.40605791 0.50000000 1.0 0.59916110 0.40083890 0.50000000 1.0 0.60438010 0.39561990 0.50000000 1.0 0.60959911 0.39040089 0.50000000 1.0 0.61481811 0.38518189 0.50000000 1.0 0.62003712 0.37996288 0.50000000 1.0 0.62525612 0.37474388 0.50000000 1.0 0.63047513 0.36952487 0.50000000 1.0 0.63569413 0.36430587 0.50000000 1.0 0.64091314 0.35908686 0.50000000 1.0 0.64613214 0.35386786 0.50000000 1.0 0.65135115 0.34864885 0.50000000 1.0 0.65657015 0.34342985 0.50000000 1.0 0.66178916 0.33821084 0.50000000 1.0 0.66700816 0.33299184 0.50000000 1.0 0.67222717 0.32777283 0.50000000 1.0 0.67744617 0.32255383 0.50000000 1.0 0.68266518 0.31733482 0.50000000 1.0 0.68788418 0.31211582 0.50000000 1.0 0.69310319 0.30689681 0.50000000 1.0 0.69832219 0.30167781 0.50000000 1.0 0.70354120 0.29645880 0.50000000 1.0 0.70876020 0.29123980 0.50000000 1.0 0.71397921 0.28602079 0.50000000 1.0 0.71919821 0.28080179 0.50000000 1.0 0.72441722 0.27558278 0.50000000 1.0 0.72963622 0.27036378 0.50000000 1.0 0.73485523 0.26514477 0.50000000 1.0 0.74007423 0.25992577 0.50000000 1.0 0.74529324 0.25470676 0.50000000 1.0 0.25470676 -0.25470676 0.50000000 1.0 0.24950867 -0.24950867 0.50000000 1.0 0.24431057 -0.24431057 0.50000000 1.0 0.23911247 -0.23911247 0.50000000 1.0 0.23391437 -0.23391437 0.50000000 1.0 0.22871628 -0.22871628 0.50000000 1.0 0.22351818 -0.22351818 0.50000000 1.0 0.21832008 -0.21832008 0.50000000 1.0 0.21312199 -0.21312199 0.50000000 1.0 0.20792389 -0.20792389 0.50000000 1.0 0.20272579 -0.20272579 0.50000000 1.0 0.19752769 -0.19752769 0.50000000 1.0 0.19232960 -0.19232960 0.50000000 1.0 0.18713150 -0.18713150 0.50000000 1.0 0.18193340 -0.18193340 0.50000000 1.0 0.17673530 -0.17673530 0.50000000 1.0 0.17153721 -0.17153721 0.50000000 1.0 0.16633911 -0.16633911 0.50000000 1.0 0.16114101 -0.16114101 0.50000000 1.0 0.15594292 -0.15594292 0.50000000 1.0 0.15074482 -0.15074482 0.50000000 1.0 0.14554672 -0.14554672 0.50000000 1.0 0.14034862 -0.14034862 0.50000000 1.0 0.13515053 -0.13515053 0.50000000 1.0 0.12995243 -0.12995243 0.50000000 1.0 0.12475433 -0.12475433 0.50000000 1.0 0.11955624 -0.11955624 0.50000000 1.0 0.11435814 -0.11435814 0.50000000 1.0 0.10916004 -0.10916004 0.50000000 1.0 0.10396194 -0.10396194 0.50000000 1.0 0.09876385 -0.09876385 0.50000000 1.0 0.09356575 -0.09356575 0.50000000 1.0 0.08836765 -0.08836765 0.50000000 1.0 0.08316956 -0.08316956 0.50000000 1.0 0.07797146 -0.07797146 0.50000000 1.0 0.07277336 -0.07277336 0.50000000 1.0 0.06757526 -0.06757526 0.50000000 1.0 0.06237717 -0.06237717 0.50000000 1.0 0.05717907 -0.05717907 0.50000000 1.0 0.05198097 -0.05198097 0.50000000 1.0 0.04678287 -0.04678287 0.50000000 1.0 0.04158478 -0.04158478 0.50000000 1.0 0.03638668 -0.03638668 0.50000000 1.0 0.03118858 -0.03118858 0.50000000 1.0 0.02599049 -0.02599049 0.50000000 1.0 0.02079239 -0.02079239 0.50000000 1.0 0.01559429 -0.01559429 0.50000000 1.0 0.01039619 -0.01039619 0.50000000 1.0 0.00519810 -0.00519810 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.02659368 0.02659368 0.50611161 1.0 0.05318737 0.05318737 0.51222321 1.0 0.07978105 0.07978105 0.51833482 1.0 0.10637473 0.10637473 0.52444643 1.0 0.13296841 0.13296841 0.53055803 1.0 0.15956210 0.15956210 0.53666964 1.0 0.18615578 0.18615578 0.54278124 1.0 0.21274946 0.21274946 0.54889285 1.0 0.23934314 0.23934314 0.55500446 1.0 0.26593683 0.26593683 0.56111606 1.0 0.29253051 0.29253051 0.56722767 1.0 0.31912419 0.31912419 0.57333928 1.0 0.34571788 0.34571788 0.57945088 1.0 0.37231156 0.37231156 0.58556249 1.0 0.39890524 0.39890524 0.59167410 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50523210 0.49476790 0.00000000 1.0 0.51046420 0.48953580 0.00000000 1.0 0.51569630 0.48430370 0.00000000 1.0 0.52092840 0.47907160 0.00000000 1.0 0.52616050 0.47383950 0.00000000 1.0 0.53139260 0.46860740 0.00000000 1.0 0.53662470 0.46337530 0.00000000 1.0 0.54185680 0.45814320 0.00000000 1.0 0.54708890 0.45291110 0.00000000 1.0 0.55232100 0.44767900 0.00000000 1.0 0.55755310 0.44244690 0.00000000 1.0 0.56278520 0.43721480 0.00000000 1.0 0.56801730 0.43198270 0.00000000 1.0 0.57324940 0.42675060 0.00000000 1.0 0.57848150 0.42151850 0.00000000 1.0 0.58371360 0.41628640 0.00000000 1.0 0.58894570 0.41105430 0.00000000 1.0 0.59417780 0.40582220 0.00000000 1.0 0.59940990 0.40059010 0.00000000 1.0 0.60464200 0.39535800 0.00000000 1.0 0.60987410 0.39012590 0.00000000 1.0 0.61510620 0.38489380 0.00000000 1.0 0.62033830 0.37966170 0.00000000 1.0 0.62557040 0.37442960 0.00000000 1.0 0.63080250 0.36919750 0.00000000 1.0 0.63603460 0.36396540 0.00000000 1.0 0.64126670 0.35873330 0.00000000 1.0 0.64649880 0.35350120 0.00000000 1.0 0.65173090 0.34826910 0.00000000 1.0 0.65696300 0.34303700 0.00000000 1.0 0.66219510 0.33780490 0.00000000 1.0 0.66742720 0.33257280 0.00000000 1.0 0.67265930 0.32734070 0.00000000 1.0 0.67789140 0.32210860 0.00000000 1.0 0.68312350 0.31687650 0.00000000 1.0 0.68835560 0.31164440 0.00000000 1.0 0.69358770 0.30641230 0.00000000 1.0 0.69881980 0.30118020 0.00000000 1.0 0.70405189 0.29594811 0.00000000 1.0 0.70928399 0.29071601 0.00000000 1.0 0.71451609 0.28548391 0.00000000 1.0 0.71974819 0.28025181 0.00000000 1.0 0.72498029 0.27501971 0.00000000 1.0 0.73021239 0.26978761 0.00000000 1.0 0.73544449 0.26455551 0.00000000 1.0 0.74067659 0.25932341 0.00000000 1.0 0.25932341 -0.25932341 0.00000000 1.0 0.25413694 -0.25413694 0.00000000 1.0 0.24895047 -0.24895047 0.00000000 1.0 0.24376400 -0.24376400 0.00000000 1.0 0.23857753 -0.23857753 0.00000000 1.0 0.23339107 -0.23339107 0.00000000 1.0 0.22820460 -0.22820460 0.00000000 1.0 0.22301813 -0.22301813 0.00000000 1.0 0.21783166 -0.21783166 0.00000000 1.0 0.21264519 -0.21264519 0.00000000 1.0 0.20745872 -0.20745872 0.00000000 1.0 0.20227226 -0.20227226 0.00000000 1.0 0.19708579 -0.19708579 0.00000000 1.0 0.19189932 -0.19189932 0.00000000 1.0 0.18671285 -0.18671285 0.00000000 1.0 0.18152638 -0.18152638 0.00000000 1.0 0.17633992 -0.17633992 0.00000000 1.0 0.17115345 -0.17115345 0.00000000 1.0 0.16596698 -0.16596698 0.00000000 1.0 0.16078051 -0.16078051 0.00000000 1.0 0.15559404 -0.15559404 0.00000000 1.0 0.15040758 -0.15040758 0.00000000 1.0 0.14522111 -0.14522111 0.00000000 1.0 0.14003464 -0.14003464 0.00000000 1.0 0.13484817 -0.13484817 0.00000000 1.0 0.12966170 -0.12966170 0.00000000 1.0 0.12447523 -0.12447523 0.00000000 1.0 0.11928877 -0.11928877 0.00000000 1.0 0.11410230 -0.11410230 0.00000000 1.0 0.10891583 -0.10891583 0.00000000 1.0 0.10372936 -0.10372936 0.00000000 1.0 0.09854289 -0.09854289 0.00000000 1.0 0.09335643 -0.09335643 0.00000000 1.0 0.08816996 -0.08816996 0.00000000 1.0 0.08298349 -0.08298349 0.00000000 1.0 0.07779702 -0.07779702 0.00000000 1.0 0.07261055 -0.07261055 0.00000000 1.0 0.06742409 -0.06742409 0.00000000 1.0 0.06223762 -0.06223762 0.00000000 1.0 0.05705115 -0.05705115 0.00000000 1.0 0.05186468 -0.05186468 0.00000000 1.0 0.04667821 -0.04667821 0.00000000 1.0 0.04149174 -0.04149174 0.00000000 1.0 0.03630528 -0.03630528 0.00000000 1.0 0.03111881 -0.03111881 0.00000000 1.0 0.02593234 -0.02593234 0.00000000 1.0 0.02074587 -0.02074587 0.00000000 1.0 0.01555940 -0.01555940 0.00000000 1.0 0.01037294 -0.01037294 0.00000000 1.0 0.00518647 -0.00518647 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.01020408 0.00000000 0.00000000 1.0 0.02040816 0.00000000 0.00000000 1.0 0.03061224 0.00000000 0.00000000 1.0 0.04081633 0.00000000 0.00000000 1.0 0.05102041 0.00000000 0.00000000 1.0 0.06122449 0.00000000 0.00000000 1.0 0.07142857 0.00000000 0.00000000 1.0 0.08163265 0.00000000 0.00000000 1.0 0.09183673 0.00000000 0.00000000 1.0 0.10204082 0.00000000 0.00000000 1.0 0.11224490 0.00000000 0.00000000 1.0 0.12244898 0.00000000 0.00000000 1.0 0.13265306 0.00000000 0.00000000 1.0 0.14285714 0.00000000 0.00000000 1.0 0.15306122 0.00000000 0.00000000 1.0 0.16326531 0.00000000 0.00000000 1.0 0.17346939 0.00000000 0.00000000 1.0 0.18367347 0.00000000 0.00000000 1.0 0.19387755 0.00000000 0.00000000 1.0 0.20408163 0.00000000 0.00000000 1.0 0.21428571 0.00000000 0.00000000 1.0 0.22448980 0.00000000 0.00000000 1.0 0.23469388 0.00000000 0.00000000 1.0 0.24489796 0.00000000 0.00000000 1.0 0.25510204 0.00000000 0.00000000 1.0 0.26530612 0.00000000 0.00000000 1.0 0.27551020 0.00000000 0.00000000 1.0 0.28571429 0.00000000 0.00000000 1.0 0.29591837 0.00000000 0.00000000 1.0 0.30612245 0.00000000 0.00000000 1.0 0.31632653 0.00000000 0.00000000 1.0 0.32653061 0.00000000 0.00000000 1.0 0.33673469 0.00000000 0.00000000 1.0 0.34693878 0.00000000 0.00000000 1.0 0.35714286 0.00000000 0.00000000 1.0 0.36734694 0.00000000 0.00000000 1.0 0.37755102 0.00000000 0.00000000 1.0 0.38775510 0.00000000 0.00000000 1.0 0.39795918 0.00000000 0.00000000 1.0 0.40816327 0.00000000 0.00000000 1.0 0.41836735 0.00000000 0.00000000 1.0 0.42857143 0.00000000 0.00000000 1.0 0.43877551 0.00000000 0.00000000 1.0 0.44897959 0.00000000 0.00000000 1.0 0.45918367 0.00000000 0.00000000 1.0 0.46938776 0.00000000 0.00000000 1.0 0.47959184 0.00000000 0.00000000 1.0 0.48979592 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.49038462 0.00000000 0.49038462 1.0 0.48076923 0.00000000 0.48076923 1.0 0.47115385 0.00000000 0.47115385 1.0 0.46153846 0.00000000 0.46153846 1.0 0.45192308 -0.00000000 0.45192308 1.0 0.44230769 0.00000000 0.44230769 1.0 0.43269231 -0.00000000 0.43269231 1.0 0.42307692 0.00000000 0.42307692 1.0 0.41346154 -0.00000000 0.41346154 1.0 0.40384615 0.00000000 0.40384615 1.0 0.39423077 0.00000000 0.39423077 1.0 0.38461538 0.00000000 0.38461538 1.0 0.37500000 0.00000000 0.37500000 1.0 0.36538462 0.00000000 0.36538462 1.0 0.35576923 0.00000000 0.35576923 1.0 0.34615385 0.00000000 0.34615385 1.0 0.33653846 0.00000000 0.33653846 1.0 0.32692308 0.00000000 0.32692308 1.0 0.31730769 0.00000000 0.31730769 1.0 0.30769231 0.00000000 0.30769231 1.0 0.29807692 0.00000000 0.29807692 1.0 0.28846154 0.00000000 0.28846154 1.0 0.27884615 0.00000000 0.27884615 1.0 0.26923077 0.00000000 0.26923077 1.0 0.25961538 0.00000000 0.25961538 1.0 0.25000000 0.00000000 0.25000000 1.0 0.24038462 0.00000000 0.24038462 1.0 0.23076923 0.00000000 0.23076923 1.0 0.22115385 0.00000000 0.22115385 1.0 0.21153846 0.00000000 0.21153846 1.0 0.20192308 0.00000000 0.20192308 1.0 0.19230769 0.00000000 0.19230769 1.0 0.18269231 0.00000000 0.18269231 1.0 0.17307692 -0.00000000 0.17307692 1.0 0.16346154 0.00000000 0.16346154 1.0 0.15384615 0.00000000 0.15384615 1.0 0.14423077 0.00000000 0.14423077 1.0 0.13461538 0.00000000 0.13461538 1.0 0.12500000 -0.00000000 0.12500000 1.0 0.11538462 0.00000000 0.11538462 1.0 0.10576923 -0.00000000 0.10576923 1.0 0.09615385 0.00000000 0.09615385 1.0 0.08653846 -0.00000000 0.08653846 1.0 0.07692308 0.00000000 0.07692308 1.0 0.06730769 -0.00000000 0.06730769 1.0 0.05769231 -0.00000000 0.05769231 1.0 0.04807692 -0.00000000 0.04807692 1.0 0.03846154 -0.00000000 0.03846154 1.0 0.02884615 -0.00000000 0.02884615 1.0 0.01923077 -0.00000000 0.01923077 1.0 0.00961538 -0.00000000 0.00961538 1.0 0.00000000 0.00000000 0.00000000 1.0