! Pwscf input file created with pymatgen.py ! Compound: SrSn &control calculation = 'bands' prefix = 'SrSn' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 12.2952451083166281 celldm(2) = 1.0000000000000000 celldm(3) = 0.6905546651391208 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.7008099440026634 nat = 4 ntyp = 2 ecutwfc = 48.00000000 ecutrho = 263.00000000 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 Sn 118.7100 Sn.rel-pbe-dn-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 362 0.00000000 0.00000000 0.00000000 1.0 0.00794534 0.00794534 0.00000000 1.0 0.01589068 0.01589068 0.00000000 1.0 0.02383602 0.02383602 0.00000000 1.0 0.03178136 0.03178136 0.00000000 1.0 0.03972670 0.03972670 0.00000000 1.0 0.04767204 0.04767204 0.00000000 1.0 0.05561738 0.05561738 0.00000000 1.0 0.06356272 0.06356272 0.00000000 1.0 0.07150806 0.07150806 0.00000000 1.0 0.07945340 0.07945340 0.00000000 1.0 0.08739874 0.08739874 0.00000000 1.0 0.09534408 0.09534408 0.00000000 1.0 0.10328942 0.10328942 0.00000000 1.0 0.11123476 0.11123476 0.00000000 1.0 0.11918010 0.11918010 0.00000000 1.0 0.12712544 0.12712544 0.00000000 1.0 0.13507078 0.13507078 0.00000000 1.0 0.14301612 0.14301612 0.00000000 1.0 0.15096146 0.15096146 0.00000000 1.0 0.15890680 0.15890680 0.00000000 1.0 0.16685214 0.16685214 0.00000000 1.0 0.17479748 0.17479748 0.00000000 1.0 0.18274282 0.18274282 0.00000000 1.0 0.19068816 0.19068816 0.00000000 1.0 0.19863350 0.19863350 0.00000000 1.0 0.20657884 0.20657884 0.00000000 1.0 0.21452418 0.21452418 0.00000000 1.0 0.22246952 0.22246952 0.00000000 1.0 0.23041486 0.23041486 0.00000000 1.0 0.23836020 0.23836020 0.00000000 1.0 0.24630554 0.24630554 0.00000000 1.0 0.25425088 0.25425088 0.00000000 1.0 0.26219622 0.26219622 0.00000000 1.0 0.27014156 0.27014156 0.00000000 1.0 0.27808690 0.27808690 0.00000000 1.0 0.28603224 0.28603224 0.00000000 1.0 0.29397759 0.29397759 0.00000000 1.0 0.29397759 0.29397759 0.00000000 1.0 0.27437908 0.30771241 0.00000000 1.0 0.25478057 0.32144724 0.00000000 1.0 0.23518207 0.33518207 0.00000000 1.0 0.21558356 0.34891690 0.00000000 1.0 0.19598506 0.36265172 0.00000000 1.0 0.17638655 0.37638655 0.00000000 1.0 0.15678805 0.39012138 0.00000000 1.0 0.13718954 0.40385621 0.00000000 1.0 0.11759103 0.41759103 0.00000000 1.0 0.09799253 0.43132586 0.00000000 1.0 0.07839402 0.44506069 0.00000000 1.0 0.05879552 0.45879552 0.00000000 1.0 0.03919701 0.47253034 0.00000000 1.0 0.01959851 0.48626517 0.00000000 1.0 -0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.01428571 1.0 -0.00000000 0.50000000 0.02857143 1.0 -0.00000000 0.50000000 0.04285714 1.0 -0.00000000 0.50000000 0.05714286 1.0 -0.00000000 0.50000000 0.07142857 1.0 -0.00000000 0.50000000 0.08571429 1.0 -0.00000000 0.50000000 0.10000000 1.0 -0.00000000 0.50000000 0.11428571 1.0 -0.00000000 0.50000000 0.12857143 1.0 -0.00000000 0.50000000 0.14285714 1.0 -0.00000000 0.50000000 0.15714286 1.0 -0.00000000 0.50000000 0.17142857 1.0 -0.00000000 0.50000000 0.18571429 1.0 -0.00000000 0.50000000 0.20000000 1.0 -0.00000000 0.50000000 0.21428571 1.0 -0.00000000 0.50000000 0.22857143 1.0 -0.00000000 0.50000000 0.24285714 1.0 0.00000000 0.50000000 0.25714286 1.0 0.00000000 0.50000000 0.27142857 1.0 0.00000000 0.50000000 0.28571429 1.0 0.00000000 0.50000000 0.30000000 1.0 0.00000000 0.50000000 0.31428571 1.0 0.00000000 0.50000000 0.32857143 1.0 0.00000000 0.50000000 0.34285714 1.0 0.00000000 0.50000000 0.35714286 1.0 0.00000000 0.50000000 0.37142857 1.0 0.00000000 0.50000000 0.38571429 1.0 0.00000000 0.50000000 0.40000000 1.0 0.00000000 0.50000000 0.41428571 1.0 0.00000000 0.50000000 0.42857143 1.0 0.00000000 0.50000000 0.44285714 1.0 0.00000000 0.50000000 0.45714286 1.0 0.00000000 0.50000000 0.47142857 1.0 0.00000000 0.50000000 0.48571429 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01959851 0.48626517 0.50000000 1.0 0.03919701 0.47253034 0.50000000 1.0 0.05879552 0.45879552 0.50000000 1.0 0.07839402 0.44506069 0.50000000 1.0 0.09799253 0.43132586 0.50000000 1.0 0.11759103 0.41759103 0.50000000 1.0 0.13718954 0.40385621 0.50000000 1.0 0.15678805 0.39012138 0.50000000 1.0 0.17638655 0.37638655 0.50000000 1.0 0.19598506 0.36265172 0.50000000 1.0 0.21558356 0.34891690 0.50000000 1.0 0.23518207 0.33518207 0.50000000 1.0 0.25478057 0.32144724 0.50000000 1.0 0.27437908 0.30771241 0.50000000 1.0 0.29397759 0.29397759 0.50000000 1.0 0.29397759 0.29397759 0.50000000 1.0 0.28603224 0.28603224 0.50000000 1.0 0.27808690 0.27808690 0.50000000 1.0 0.27014156 0.27014156 0.50000000 1.0 0.26219622 0.26219622 0.50000000 1.0 0.25425088 0.25425088 0.50000000 1.0 0.24630554 0.24630554 0.50000000 1.0 0.23836020 0.23836020 0.50000000 1.0 0.23041486 0.23041486 0.50000000 1.0 0.22246952 0.22246952 0.50000000 1.0 0.21452418 0.21452418 0.50000000 1.0 0.20657884 0.20657884 0.50000000 1.0 0.19863350 0.19863350 0.50000000 1.0 0.19068816 0.19068816 0.50000000 1.0 0.18274282 0.18274282 0.50000000 1.0 0.17479748 0.17479748 0.50000000 1.0 0.16685214 0.16685214 0.50000000 1.0 0.15890680 0.15890680 0.50000000 1.0 0.15096146 0.15096146 0.50000000 1.0 0.14301612 0.14301612 0.50000000 1.0 0.13507078 0.13507078 0.50000000 1.0 0.12712544 0.12712544 0.50000000 1.0 0.11918010 0.11918010 0.50000000 1.0 0.11123476 0.11123476 0.50000000 1.0 0.10328942 0.10328942 0.50000000 1.0 0.09534408 0.09534408 0.50000000 1.0 0.08739874 0.08739874 0.50000000 1.0 0.07945340 0.07945340 0.50000000 1.0 0.07150806 0.07150806 0.50000000 1.0 0.06356272 0.06356272 0.50000000 1.0 0.05561738 0.05561738 0.50000000 1.0 0.04767204 0.04767204 0.50000000 1.0 0.03972670 0.03972670 0.50000000 1.0 0.03178136 0.03178136 0.50000000 1.0 0.02383602 0.02383602 0.50000000 1.0 0.01589068 0.01589068 0.50000000 1.0 0.00794534 0.00794534 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.48571429 1.0 0.00000000 0.00000000 0.47142857 1.0 0.00000000 0.00000000 0.45714286 1.0 0.00000000 -0.00000000 0.44285714 1.0 0.00000000 0.00000000 0.42857143 1.0 0.00000000 0.00000000 0.41428571 1.0 0.00000000 -0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.38571429 1.0 0.00000000 0.00000000 0.37142857 1.0 0.00000000 -0.00000000 0.35714286 1.0 0.00000000 0.00000000 0.34285714 1.0 0.00000000 0.00000000 0.32857143 1.0 0.00000000 -0.00000000 0.31428571 1.0 0.00000000 0.00000000 0.30000000 1.0 0.00000000 0.00000000 0.28571429 1.0 0.00000000 0.00000000 0.27142857 1.0 0.00000000 0.00000000 0.25714286 1.0 0.00000000 0.00000000 0.24285714 1.0 0.00000000 0.00000000 0.22857143 1.0 0.00000000 0.00000000 0.21428571 1.0 0.00000000 -0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.18571429 1.0 0.00000000 0.00000000 0.17142857 1.0 0.00000000 0.00000000 0.15714286 1.0 0.00000000 0.00000000 0.14285714 1.0 0.00000000 -0.00000000 0.12857143 1.0 0.00000000 -0.00000000 0.11428571 1.0 -0.00000000 0.00000000 0.10000000 1.0 -0.00000000 0.00000000 0.08571429 1.0 -0.00000000 0.00000000 0.07142857 1.0 -0.00000000 0.00000000 0.05714286 1.0 -0.00000000 0.00000000 0.04285714 1.0 0.00000000 -0.00000000 0.02857143 1.0 0.00000000 0.00000000 0.01428571 1.0 0.00000000 0.00000000 0.00000000 1.0 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 -0.49207606 0.50792394 0.00000000 1.0 -0.48415212 0.51584788 0.00000000 1.0 -0.47622818 0.52377182 0.00000000 1.0 -0.46830424 0.53169576 0.00000000 1.0 -0.46038030 0.53961970 0.00000000 1.0 -0.45245637 0.54754363 0.00000000 1.0 -0.44453243 0.55546757 0.00000000 1.0 -0.43660849 0.56339151 0.00000000 1.0 -0.42868455 0.57131545 0.00000000 1.0 -0.42076061 0.57923939 0.00000000 1.0 -0.41283667 0.58716333 0.00000000 1.0 -0.40491273 0.59508727 0.00000000 1.0 -0.39698879 0.60301121 0.00000000 1.0 -0.38906485 0.61093515 0.00000000 1.0 -0.38114091 0.61885909 0.00000000 1.0 -0.37321698 0.62678302 0.00000000 1.0 -0.36529304 0.63470696 0.00000000 1.0 -0.35736910 0.64263090 0.00000000 1.0 -0.34944516 0.65055484 0.00000000 1.0 -0.34152122 0.65847878 0.00000000 1.0 -0.33359728 0.66640272 0.00000000 1.0 -0.32567334 0.67432666 0.00000000 1.0 -0.31774940 0.68225060 0.00000000 1.0 -0.30982546 0.69017454 0.00000000 1.0 -0.30190152 0.69809848 0.00000000 1.0 -0.29397759 0.70602241 0.00000000 1.0 -0.29397759 0.70602241 0.00000000 1.0 -0.29397759 0.70602241 0.01428571 1.0 -0.29397759 0.70602241 0.02857143 1.0 -0.29397759 0.70602241 0.04285714 1.0 -0.29397759 0.70602241 0.05714286 1.0 -0.29397759 0.70602241 0.07142857 1.0 -0.29397759 0.70602241 0.08571429 1.0 -0.29397759 0.70602241 0.10000000 1.0 -0.29397759 0.70602241 0.11428571 1.0 -0.29397759 0.70602241 0.12857143 1.0 -0.29397759 0.70602241 0.14285714 1.0 -0.29397759 0.70602241 0.15714286 1.0 -0.29397759 0.70602241 0.17142857 1.0 -0.29397759 0.70602241 0.18571429 1.0 -0.29397759 0.70602241 0.20000000 1.0 -0.29397759 0.70602241 0.21428571 1.0 -0.29397759 0.70602241 0.22857143 1.0 -0.29397759 0.70602241 0.24285714 1.0 -0.29397759 0.70602241 0.25714286 1.0 -0.29397759 0.70602241 0.27142857 1.0 -0.29397759 0.70602241 0.28571429 1.0 -0.29397759 0.70602241 0.30000000 1.0 -0.29397759 0.70602241 0.31428571 1.0 -0.29397759 0.70602241 0.32857143 1.0 -0.29397759 0.70602241 0.34285714 1.0 -0.29397759 0.70602241 0.35714286 1.0 -0.29397759 0.70602241 0.37142857 1.0 -0.29397759 0.70602241 0.38571429 1.0 -0.29397759 0.70602241 0.40000000 1.0 -0.29397759 0.70602241 0.41428571 1.0 -0.29397759 0.70602241 0.42857143 1.0 -0.29397759 0.70602241 0.44285714 1.0 -0.29397759 0.70602241 0.45714286 1.0 -0.29397759 0.70602241 0.47142857 1.0 -0.29397759 0.70602241 0.48571429 1.0 -0.29397759 0.70602241 0.50000000 1.0 -0.29397759 0.70602241 0.50000000 1.0 -0.30190152 0.69809848 0.50000000 1.0 -0.30982546 0.69017454 0.50000000 1.0 -0.31774940 0.68225060 0.50000000 1.0 -0.32567334 0.67432666 0.50000000 1.0 -0.33359728 0.66640272 0.50000000 1.0 -0.34152122 0.65847878 0.50000000 1.0 -0.34944516 0.65055484 0.50000000 1.0 -0.35736910 0.64263090 0.50000000 1.0 -0.36529304 0.63470696 0.50000000 1.0 -0.37321698 0.62678302 0.50000000 1.0 -0.38114091 0.61885909 0.50000000 1.0 -0.38906485 0.61093515 0.50000000 1.0 -0.39698879 0.60301121 0.50000000 1.0 -0.40491273 0.59508727 0.50000000 1.0 -0.41283667 0.58716333 0.50000000 1.0 -0.42076061 0.57923939 0.50000000 1.0 -0.42868455 0.57131545 0.50000000 1.0 -0.43660849 0.56339151 0.50000000 1.0 -0.44453243 0.55546757 0.50000000 1.0 -0.45245637 0.54754363 0.50000000 1.0 -0.46038030 0.53961970 0.50000000 1.0 -0.46830424 0.53169576 0.50000000 1.0 -0.47622818 0.52377182 0.50000000 1.0 -0.48415212 0.51584788 0.50000000 1.0 -0.49207606 0.50792394 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.48571429 1.0 -0.50000000 0.50000000 0.47142857 1.0 -0.50000000 0.50000000 0.45714286 1.0 -0.50000000 0.50000000 0.44285714 1.0 -0.50000000 0.50000000 0.42857143 1.0 -0.50000000 0.50000000 0.41428571 1.0 -0.50000000 0.50000000 0.40000000 1.0 -0.50000000 0.50000000 0.38571429 1.0 -0.50000000 0.50000000 0.37142857 1.0 -0.50000000 0.50000000 0.35714286 1.0 -0.50000000 0.50000000 0.34285714 1.0 -0.50000000 0.50000000 0.32857143 1.0 -0.50000000 0.50000000 0.31428571 1.0 -0.50000000 0.50000000 0.30000000 1.0 -0.50000000 0.50000000 0.28571429 1.0 -0.50000000 0.50000000 0.27142857 1.0 -0.50000000 0.50000000 0.25714286 1.0 -0.50000000 0.50000000 0.24285714 1.0 -0.50000000 0.50000000 0.22857143 1.0 -0.50000000 0.50000000 0.21428571 1.0 -0.50000000 0.50000000 0.20000000 1.0 -0.50000000 0.50000000 0.18571429 1.0 -0.50000000 0.50000000 0.17142857 1.0 -0.50000000 0.50000000 0.15714286 1.0 -0.50000000 0.50000000 0.14285714 1.0 -0.50000000 0.50000000 0.12857143 1.0 -0.50000000 0.50000000 0.11428571 1.0 -0.50000000 0.50000000 0.10000000 1.0 -0.50000000 0.50000000 0.08571429 1.0 -0.50000000 0.50000000 0.07142857 1.0 -0.50000000 0.50000000 0.05714286 1.0 -0.50000000 0.50000000 0.04285714 1.0 -0.50000000 0.50000000 0.02857143 1.0 -0.50000000 0.50000000 0.01428571 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 -0.01851852 0.01851852 0.50000000 1.0 -0.03703704 0.03703704 0.50000000 1.0 -0.05555556 0.05555556 0.50000000 1.0 -0.07407407 0.07407407 0.50000000 1.0 -0.09259259 0.09259259 0.50000000 1.0 -0.11111111 0.11111111 0.50000000 1.0 -0.12962963 0.12962963 0.50000000 1.0 -0.14814815 0.14814815 0.50000000 1.0 -0.16666667 0.16666667 0.50000000 1.0 -0.18518519 0.18518519 0.50000000 1.0 -0.20370370 0.20370370 0.50000000 1.0 -0.22222222 0.22222222 0.50000000 1.0 -0.24074074 0.24074074 0.50000000 1.0 -0.25925926 0.25925926 0.50000000 1.0 -0.27777778 0.27777778 0.50000000 1.0 -0.29629630 0.29629630 0.50000000 1.0 -0.31481481 0.31481481 0.50000000 1.0 -0.33333333 0.33333333 0.50000000 1.0 -0.35185185 0.35185185 0.50000000 1.0 -0.37037037 0.37037037 0.50000000 1.0 -0.38888889 0.38888889 0.50000000 1.0 -0.40740741 0.40740741 0.50000000 1.0 -0.42592593 0.42592593 0.50000000 1.0 -0.44444444 0.44444444 0.50000000 1.0 -0.46296296 0.46296296 0.50000000 1.0 -0.48148148 0.48148148 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0