! Pwscf input file created with ciftopw.py ! Compound: Sr2MnSbO6 &control calculation = 'bands' prefix = 'Sr2MnSbO6' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 10.5933795317845032 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000002 celldm(4) = -0.5141296772008448 celldm(5) = -0.5141296772008448 celldm(6) = 0.0282593544016900 nat = 10 ntyp = 4 ecutwfc = 80.00000000 ecutrho = 324.00000000 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 O 15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF Mn 54.9380 Mn.rel-pbe-oncvpsp.UPF Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF Sr 87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 306 0.00000000 0.00000000 0.00000000 1.0 -0.00000000 0.00000000 0.01219512 1.0 -0.00000000 0.00000000 0.02439024 1.0 -0.00000000 0.00000000 0.03658537 1.0 -0.00000000 0.00000000 0.04878049 1.0 -0.00000000 0.00000000 0.06097561 1.0 -0.00000000 0.00000000 0.07317073 1.0 -0.00000000 0.00000000 0.08536585 1.0 -0.00000000 0.00000000 0.09756098 1.0 -0.00000000 0.00000000 0.10975610 1.0 -0.00000000 0.00000000 0.12195122 1.0 -0.00000000 0.00000000 0.13414634 1.0 -0.00000000 0.00000000 0.14634146 1.0 -0.00000000 0.00000000 0.15853659 1.0 -0.00000000 0.00000000 0.17073171 1.0 -0.00000000 0.00000000 0.18292683 1.0 -0.00000000 0.00000000 0.19512195 1.0 -0.00000000 0.00000000 0.20731707 1.0 -0.00000000 0.00000000 0.21951220 1.0 -0.00000000 0.00000000 0.23170732 1.0 -0.00000000 0.00000000 0.24390244 1.0 -0.00000000 0.00000000 0.25609756 1.0 -0.00000000 0.00000000 0.26829268 1.0 -0.00000000 0.00000000 0.28048780 1.0 -0.00000000 0.00000000 0.29268293 1.0 -0.00000000 0.00000000 0.30487805 1.0 -0.00000000 0.00000000 0.31707317 1.0 -0.00000000 0.00000000 0.32926829 1.0 -0.00000000 0.00000000 0.34146341 1.0 -0.00000000 0.00000000 0.35365854 1.0 -0.00000000 0.00000000 0.36585366 1.0 -0.00000000 0.00000000 0.37804878 1.0 -0.00000000 0.00000000 0.39024390 1.0 -0.00000000 0.00000000 0.40243902 1.0 -0.00000000 0.00000000 0.41463415 1.0 -0.00000000 0.00000000 0.42682927 1.0 -0.00000000 0.00000000 0.43902439 1.0 -0.00000000 0.00000000 0.45121951 1.0 -0.00000000 0.00000000 0.46341463 1.0 -0.00000000 0.00000000 0.47560976 1.0 -0.00000000 0.00000000 0.48780488 1.0 -0.00000000 0.00000000 0.50000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 -0.01243467 0.01243467 0.50000000 1.0 -0.02486933 0.02486933 0.50000000 1.0 -0.03730400 0.03730400 0.50000000 1.0 -0.04973866 0.04973866 0.50000000 1.0 -0.06217333 0.06217333 0.50000000 1.0 -0.07460799 0.07460799 0.50000000 1.0 -0.08704266 0.08704266 0.50000000 1.0 -0.09947732 0.09947732 0.50000000 1.0 -0.11191199 0.11191199 0.50000000 1.0 -0.12434666 0.12434666 0.50000000 1.0 -0.13678132 0.13678132 0.50000000 1.0 -0.14921599 0.14921599 0.50000000 1.0 -0.16165065 0.16165065 0.50000000 1.0 -0.17408532 0.17408532 0.50000000 1.0 -0.18651998 0.18651998 0.50000000 1.0 -0.19895465 0.19895465 0.50000000 1.0 -0.21138931 0.21138931 0.50000000 1.0 -0.22382398 0.22382398 0.50000000 1.0 -0.23625864 0.23625864 0.50000000 1.0 -0.23625864 0.23625864 0.50000000 1.0 -0.24505002 0.24505002 0.49120862 1.0 -0.25384140 0.25384140 0.48241724 1.0 -0.26263278 0.26263278 0.47362586 1.0 -0.27142416 0.27142416 0.46483449 1.0 -0.28021554 0.28021554 0.45604311 1.0 -0.28900692 0.28900692 0.44725173 1.0 -0.29779829 0.29779829 0.43846035 1.0 -0.30658967 0.30658967 0.42966897 1.0 -0.31538105 0.31538105 0.42087759 1.0 -0.32417243 0.32417243 0.41208621 1.0 -0.33296381 0.33296381 0.40329484 1.0 -0.34175519 0.34175519 0.39450346 1.0 -0.35054657 0.35054657 0.38571208 1.0 -0.35933794 0.35933794 0.37692070 1.0 -0.36812932 0.36812932 0.36812932 1.0 -0.36812932 0.36812932 0.36812932 1.0 -0.35936434 0.35936434 0.35936434 1.0 -0.35059935 0.35059935 0.35059935 1.0 -0.34183437 0.34183437 0.34183437 1.0 -0.33306939 0.33306939 0.33306939 1.0 -0.32430440 0.32430440 0.32430440 1.0 -0.31553942 0.31553942 0.31553942 1.0 -0.30677444 0.30677444 0.30677444 1.0 -0.29800945 0.29800945 0.29800945 1.0 -0.28924447 0.28924447 0.28924447 1.0 -0.28047948 0.28047948 0.28047948 1.0 -0.27171450 0.27171450 0.27171450 1.0 -0.26294952 0.26294952 0.26294952 1.0 -0.25418453 0.25418453 0.25418453 1.0 -0.24541955 0.24541955 0.24541955 1.0 -0.23665456 0.23665456 0.23665456 1.0 -0.22788958 0.22788958 0.22788958 1.0 -0.21912460 0.21912460 0.21912460 1.0 -0.21035961 0.21035961 0.21035961 1.0 -0.20159463 0.20159463 0.20159463 1.0 -0.19282965 0.19282965 0.19282965 1.0 -0.18406466 0.18406466 0.18406466 1.0 -0.17529968 0.17529968 0.17529968 1.0 -0.16653469 0.16653469 0.16653469 1.0 -0.15776971 0.15776971 0.15776971 1.0 -0.14900473 0.14900473 0.14900473 1.0 -0.14023974 0.14023974 0.14023974 1.0 -0.13147476 0.13147476 0.13147476 1.0 -0.12270977 0.12270977 0.12270977 1.0 -0.11394479 0.11394479 0.11394479 1.0 -0.10517981 0.10517981 0.10517981 1.0 -0.09641482 0.09641482 0.09641482 1.0 -0.08764984 0.08764984 0.08764984 1.0 -0.07888485 0.07888485 0.07888485 1.0 -0.07011987 0.07011987 0.07011987 1.0 -0.06135489 0.06135489 0.06135489 1.0 -0.05258990 0.05258990 0.05258990 1.0 -0.04382492 0.04382492 0.04382492 1.0 -0.03505994 0.03505994 0.03505994 1.0 -0.02629495 0.02629495 0.02629495 1.0 -0.01752997 0.01752997 0.01752997 1.0 -0.00876498 0.00876498 0.00876498 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.01250000 0.01250000 -0.01250000 1.0 0.02500000 0.02500000 -0.02500000 1.0 0.03750000 0.03750000 -0.03750000 1.0 0.05000000 0.05000000 -0.05000000 1.0 0.06250000 0.06250000 -0.06250000 1.0 0.07500000 0.07500000 -0.07500000 1.0 0.08750000 0.08750000 -0.08750000 1.0 0.10000000 0.10000000 -0.10000000 1.0 0.11250000 0.11250000 -0.11250000 1.0 0.12500000 0.12500000 -0.12500000 1.0 0.13750000 0.13750000 -0.13750000 1.0 0.15000000 0.15000000 -0.15000000 1.0 0.16250000 0.16250000 -0.16250000 1.0 0.17500000 0.17500000 -0.17500000 1.0 0.18750000 0.18750000 -0.18750000 1.0 0.20000000 0.20000000 -0.20000000 1.0 0.21250000 0.21250000 -0.21250000 1.0 0.22500000 0.22500000 -0.22500000 1.0 0.23750000 0.23750000 -0.23750000 1.0 0.25000000 0.25000000 -0.25000000 1.0 0.26250000 0.26250000 -0.26250000 1.0 0.27500000 0.27500000 -0.27500000 1.0 0.28750000 0.28750000 -0.28750000 1.0 0.30000000 0.30000000 -0.30000000 1.0 0.31250000 0.31250000 -0.31250000 1.0 0.32500000 0.32500000 -0.32500000 1.0 0.33750000 0.33750000 -0.33750000 1.0 0.35000000 0.35000000 -0.35000000 1.0 0.36250000 0.36250000 -0.36250000 1.0 0.37500000 0.37500000 -0.37500000 1.0 0.38750000 0.38750000 -0.38750000 1.0 0.40000000 0.40000000 -0.40000000 1.0 0.41250000 0.41250000 -0.41250000 1.0 0.42500000 0.42500000 -0.42500000 1.0 0.43750000 0.43750000 -0.43750000 1.0 0.45000000 0.45000000 -0.45000000 1.0 0.46250000 0.46250000 -0.46250000 1.0 0.47500000 0.47500000 -0.47500000 1.0 0.48750000 0.48750000 -0.48750000 1.0 0.50000000 0.50000000 -0.50000000 1.0 0.50000000 0.50000000 -0.50000000 1.0 0.49120862 0.50879138 -0.49120862 1.0 0.48241724 0.51758276 -0.48241724 1.0 0.47362586 0.52637414 -0.47362586 1.0 0.46483449 0.53516551 -0.46483449 1.0 0.45604311 0.54395689 -0.45604311 1.0 0.44725173 0.55274827 -0.44725173 1.0 0.43846035 0.56153965 -0.43846035 1.0 0.42966897 0.57033103 -0.42966897 1.0 0.42087759 0.57912241 -0.42087759 1.0 0.41208621 0.58791379 -0.41208621 1.0 0.40329484 0.59670516 -0.40329484 1.0 0.39450346 0.60549654 -0.39450346 1.0 0.38571208 0.61428792 -0.38571208 1.0 0.37692070 0.62307930 -0.37692070 1.0 0.36812932 0.63187068 -0.36812932 1.0 0.36812932 0.63187068 -0.36812932 1.0 0.35279060 0.62637607 -0.35279060 1.0 0.33745188 0.62088145 -0.33745188 1.0 0.32211316 0.61538684 -0.32211316 1.0 0.30677444 0.60989223 -0.30677444 1.0 0.29143571 0.60439762 -0.29143571 1.0 0.27609699 0.59890301 -0.27609699 1.0 0.26075827 0.59340840 -0.26075827 1.0 0.24541955 0.58791379 -0.24541955 1.0 0.23008083 0.58241917 -0.23008083 1.0 0.21474210 0.57692456 -0.21474210 1.0 0.19940338 0.57142995 -0.19940338 1.0 0.18406466 0.56593534 -0.18406466 1.0 0.16872594 0.56044073 -0.16872594 1.0 0.15338722 0.55494612 -0.15338722 1.0 0.13804850 0.54945150 -0.13804850 1.0 0.12270977 0.54395689 -0.12270977 1.0 0.10737105 0.53846228 -0.10737105 1.0 0.09203233 0.53296767 -0.09203233 1.0 0.07669361 0.52747306 -0.07669361 1.0 0.06135489 0.52197845 -0.06135489 1.0 0.04601617 0.51648383 -0.04601617 1.0 0.03067744 0.51098922 -0.03067744 1.0 0.01533872 0.50549461 -0.01533872 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00862069 0.49137931 0.00862069 1.0 0.01724138 0.48275862 0.01724138 1.0 0.02586207 0.47413793 0.02586207 1.0 0.03448276 0.46551724 0.03448276 1.0 0.04310345 0.45689655 0.04310345 1.0 0.05172414 0.44827586 0.05172414 1.0 0.06034483 0.43965517 0.06034483 1.0 0.06896552 0.43103448 0.06896552 1.0 0.07758621 0.42241379 0.07758621 1.0 0.08620690 0.41379310 0.08620690 1.0 0.09482759 0.40517241 0.09482759 1.0 0.10344828 0.39655172 0.10344828 1.0 0.11206897 0.38793103 0.11206897 1.0 0.12068966 0.37931034 0.12068966 1.0 0.12931034 0.37068966 0.12931034 1.0 0.13793103 0.36206897 0.13793103 1.0 0.14655172 0.35344828 0.14655172 1.0 0.15517241 0.34482759 0.15517241 1.0 0.16379310 0.33620690 0.16379310 1.0 0.17241379 0.32758621 0.17241379 1.0 0.18103448 0.31896552 0.18103448 1.0 0.18965517 0.31034483 0.18965517 1.0 0.19827586 0.30172414 0.19827586 1.0 0.20689655 0.29310345 0.20689655 1.0 0.21551724 0.28448276 0.21551724 1.0 0.22413793 0.27586207 0.22413793 1.0 0.23275862 0.26724138 0.23275862 1.0 0.24137931 0.25862069 0.24137931 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25892857 0.25892857 0.23263362 1.0 0.26785714 0.26785714 0.21526724 1.0 0.27678571 0.27678571 0.19790086 1.0 0.28571429 0.28571429 0.18053448 1.0 0.29464286 0.29464286 0.16316810 1.0 0.30357143 0.30357143 0.14580172 1.0 0.31250000 0.31250000 0.12843534 1.0 0.32142857 0.32142857 0.11106896 1.0 0.33035714 0.33035714 0.09370258 1.0 0.33928571 0.33928571 0.07633620 1.0 0.34821429 0.34821429 0.05896982 1.0 0.35714286 0.35714286 0.04160344 1.0 0.36607143 0.36607143 0.02423706 1.0 0.37500000 0.37500000 0.00687068 1.0 0.38392857 0.38392857 -0.01049570 1.0 0.39285714 0.39285714 -0.02786208 1.0 0.40178571 0.40178571 -0.04522846 1.0 0.41071429 0.41071429 -0.06259484 1.0 0.41964286 0.41964286 -0.07996122 1.0 0.42857143 0.42857143 -0.09732760 1.0 0.43750000 0.43750000 -0.11469398 1.0 0.44642857 0.44642857 -0.13206036 1.0 0.45535714 0.45535714 -0.14942674 1.0 0.46428571 0.46428571 -0.16679312 1.0 0.47321429 0.47321429 -0.18415950 1.0 0.48214286 0.48214286 -0.20152588 1.0 0.49107143 0.49107143 -0.21889226 1.0 0.50000000 0.50000000 -0.23625864 1.0 0.50000000 0.50000000 -0.23625864 1.0 0.50000000 0.50000000 -0.24824689 1.0 0.50000000 0.50000000 -0.26023513 1.0 0.50000000 0.50000000 -0.27222337 1.0 0.50000000 0.50000000 -0.28421162 1.0 0.50000000 0.50000000 -0.29619986 1.0 0.50000000 0.50000000 -0.30818811 1.0 0.50000000 0.50000000 -0.32017635 1.0 0.50000000 0.50000000 -0.33216459 1.0 0.50000000 0.50000000 -0.34415284 1.0 0.50000000 0.50000000 -0.35614108 1.0 0.50000000 0.50000000 -0.36812932 1.0 0.50000000 0.50000000 -0.38011757 1.0 0.50000000 0.50000000 -0.39210581 1.0 0.50000000 0.50000000 -0.40409405 1.0 0.50000000 0.50000000 -0.41608230 1.0 0.50000000 0.50000000 -0.42807054 1.0 0.50000000 0.50000000 -0.44005878 1.0 0.50000000 0.50000000 -0.45204703 1.0 0.50000000 0.50000000 -0.46403527 1.0 0.50000000 0.50000000 -0.47602351 1.0 0.50000000 0.50000000 -0.48801176 1.0 0.50000000 0.50000000 -0.50000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 0.01250000 0.01250000 0.48750000 1.0 0.02500000 0.02500000 0.47500000 1.0 0.03750000 0.03750000 0.46250000 1.0 0.05000000 0.05000000 0.45000000 1.0 0.06250000 0.06250000 0.43750000 1.0 0.07500000 0.07500000 0.42500000 1.0 0.08750000 0.08750000 0.41250000 1.0 0.10000000 0.10000000 0.40000000 1.0 0.11250000 0.11250000 0.38750000 1.0 0.12500000 0.12500000 0.37500000 1.0 0.13750000 0.13750000 0.36250000 1.0 0.15000000 0.15000000 0.35000000 1.0 0.16250000 0.16250000 0.33750000 1.0 0.17500000 0.17500000 0.32500000 1.0 0.18750000 0.18750000 0.31250000 1.0 0.20000000 0.20000000 0.30000000 1.0 0.21250000 0.21250000 0.28750000 1.0 0.22500000 0.22500000 0.27500000 1.0 0.23750000 0.23750000 0.26250000 1.0 0.25000000 0.25000000 0.25000000 1.0