! Pwscf input file created with ciftopw.py ! Compound: Sn &control calculation = 'bands' prefix = 'Sn' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 8.3350455477260432 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000002 celldm(4) = -0.1295317865907951 celldm(5) = -0.1295317865907951 celldm(6) = -0.7409364268184094 nat = 2 ntyp = 1 ecutwfc = 48.00000000 ecutrho = 250.00000000 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 Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 390 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.01282051 1.0 0.00000000 0.00000000 0.02564103 1.0 0.00000000 0.00000000 0.03846154 1.0 0.00000000 0.00000000 0.05128205 1.0 0.00000000 0.00000000 0.06410256 1.0 0.00000000 0.00000000 0.07692308 1.0 0.00000000 0.00000000 0.08974359 1.0 0.00000000 0.00000000 0.10256410 1.0 0.00000000 0.00000000 0.11538462 1.0 0.00000000 0.00000000 0.12820513 1.0 0.00000000 0.00000000 0.14102564 1.0 0.00000000 0.00000000 0.15384615 1.0 0.00000000 0.00000000 0.16666667 1.0 0.00000000 0.00000000 0.17948718 1.0 0.00000000 0.00000000 0.19230769 1.0 0.00000000 0.00000000 0.20512821 1.0 0.00000000 0.00000000 0.21794872 1.0 0.00000000 0.00000000 0.23076923 1.0 0.00000000 0.00000000 0.24358974 1.0 0.00000000 0.00000000 0.25641026 1.0 0.00000000 0.00000000 0.26923077 1.0 0.00000000 0.00000000 0.28205128 1.0 0.00000000 0.00000000 0.29487179 1.0 0.00000000 0.00000000 0.30769231 1.0 0.00000000 0.00000000 0.32051282 1.0 0.00000000 0.00000000 0.33333333 1.0 0.00000000 0.00000000 0.34615385 1.0 0.00000000 0.00000000 0.35897436 1.0 0.00000000 0.00000000 0.37179487 1.0 0.00000000 0.00000000 0.38461538 1.0 0.00000000 0.00000000 0.39743590 1.0 0.00000000 0.00000000 0.41025641 1.0 0.00000000 0.00000000 0.42307692 1.0 0.00000000 0.00000000 0.43589744 1.0 0.00000000 0.00000000 0.44871795 1.0 0.00000000 0.00000000 0.46153846 1.0 0.00000000 0.00000000 0.47435897 1.0 0.00000000 0.00000000 0.48717949 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.01282051 0.01282051 0.50000000 1.0 -0.02564103 0.02564103 0.50000000 1.0 -0.03846154 0.03846154 0.50000000 1.0 -0.05128205 0.05128205 0.50000000 1.0 -0.06410256 0.06410256 0.50000000 1.0 -0.07692308 0.07692308 0.50000000 1.0 -0.08974359 0.08974359 0.50000000 1.0 -0.10256410 0.10256410 0.50000000 1.0 -0.11538462 0.11538462 0.50000000 1.0 -0.12820513 0.12820513 0.50000000 1.0 -0.14102564 0.14102564 0.50000000 1.0 -0.15384615 0.15384615 0.50000000 1.0 -0.16666667 0.16666667 0.50000000 1.0 -0.17948718 0.17948718 0.50000000 1.0 -0.19230769 0.19230769 0.50000000 1.0 -0.20512821 0.20512821 0.50000000 1.0 -0.21794872 0.21794872 0.50000000 1.0 -0.23076923 0.23076923 0.50000000 1.0 -0.24358974 0.24358974 0.50000000 1.0 -0.25641026 0.25641026 0.50000000 1.0 -0.26923077 0.26923077 0.50000000 1.0 -0.28205128 0.28205128 0.50000000 1.0 -0.29487179 0.29487179 0.50000000 1.0 -0.30769231 0.30769231 0.50000000 1.0 -0.32051282 0.32051282 0.50000000 1.0 -0.33333333 0.33333333 0.50000000 1.0 -0.34615385 0.34615385 0.50000000 1.0 -0.35897436 0.35897436 0.50000000 1.0 -0.37179487 0.37179487 0.50000000 1.0 -0.38461538 0.38461538 0.50000000 1.0 -0.39743590 0.39743590 0.50000000 1.0 -0.41025641 0.41025641 0.50000000 1.0 -0.42307692 0.42307692 0.50000000 1.0 -0.43589744 0.43589744 0.50000000 1.0 -0.44871795 0.44871795 0.50000000 1.0 -0.46153846 0.46153846 0.50000000 1.0 -0.47435897 0.47435897 0.50000000 1.0 -0.48717949 0.48717949 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.49074074 0.49074074 0.49074074 1.0 -0.48148148 0.48148148 0.48148148 1.0 -0.47222222 0.47222222 0.47222222 1.0 -0.46296296 0.46296296 0.46296296 1.0 -0.45370370 0.45370370 0.45370370 1.0 -0.44444444 0.44444444 0.44444444 1.0 -0.43518519 0.43518519 0.43518519 1.0 -0.42592593 0.42592593 0.42592593 1.0 -0.41666667 0.41666667 0.41666667 1.0 -0.40740741 0.40740741 0.40740741 1.0 -0.39814815 0.39814815 0.39814815 1.0 -0.38888889 0.38888889 0.38888889 1.0 -0.37962963 0.37962963 0.37962963 1.0 -0.37037037 0.37037037 0.37037037 1.0 -0.36111111 0.36111111 0.36111111 1.0 -0.35185185 0.35185185 0.35185185 1.0 -0.34259259 0.34259259 0.34259259 1.0 -0.33333333 0.33333333 0.33333333 1.0 -0.32407407 0.32407407 0.32407407 1.0 -0.31481481 0.31481481 0.31481481 1.0 -0.30555556 0.30555556 0.30555556 1.0 -0.29629630 0.29629630 0.29629630 1.0 -0.28703704 0.28703704 0.28703704 1.0 -0.27777778 0.27777778 0.27777778 1.0 -0.26851852 0.26851852 0.26851852 1.0 -0.25925926 0.25925926 0.25925926 1.0 -0.25000000 0.25000000 0.25000000 1.0 -0.24074074 0.24074074 0.24074074 1.0 -0.23148148 0.23148148 0.23148148 1.0 -0.22222222 0.22222222 0.22222222 1.0 -0.21296296 0.21296296 0.21296296 1.0 -0.20370370 0.20370370 0.20370370 1.0 -0.19444444 0.19444444 0.19444444 1.0 -0.18518519 0.18518519 0.18518519 1.0 -0.17592593 0.17592593 0.17592593 1.0 -0.16666667 0.16666667 0.16666667 1.0 -0.15740741 0.15740741 0.15740741 1.0 -0.14814815 0.14814815 0.14814815 1.0 -0.13888889 0.13888889 0.13888889 1.0 -0.12962963 0.12962963 0.12962963 1.0 -0.12037037 0.12037037 0.12037037 1.0 -0.11111111 0.11111111 0.11111111 1.0 -0.10185185 0.10185185 0.10185185 1.0 -0.09259259 0.09259259 0.09259259 1.0 -0.08333333 0.08333333 0.08333333 1.0 -0.07407407 0.07407407 0.07407407 1.0 -0.06481481 0.06481481 0.06481481 1.0 -0.05555556 0.05555556 0.05555556 1.0 -0.04629630 0.04629630 0.04629630 1.0 -0.03703704 0.03703704 0.03703704 1.0 -0.02777778 0.02777778 0.02777778 1.0 -0.01851852 0.01851852 0.01851852 1.0 -0.00925926 0.00925926 0.00925926 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00499082 0.00499082 -0.00499082 1.0 0.00998165 0.00998165 -0.00998165 1.0 0.01497247 0.01497247 -0.01497247 1.0 0.01996329 0.01996329 -0.01996329 1.0 0.02495412 0.02495412 -0.02495412 1.0 0.02994494 0.02994494 -0.02994494 1.0 0.03493576 0.03493576 -0.03493576 1.0 0.03992659 0.03992659 -0.03992659 1.0 0.04491741 0.04491741 -0.04491741 1.0 0.04990823 0.04990823 -0.04990823 1.0 0.05489906 0.05489906 -0.05489906 1.0 0.05988988 0.05988988 -0.05988988 1.0 0.06488070 0.06488070 -0.06488070 1.0 0.06987153 0.06987153 -0.06987153 1.0 0.07486235 0.07486235 -0.07486235 1.0 0.07985317 0.07985317 -0.07985317 1.0 0.08484400 0.08484400 -0.08484400 1.0 0.08983482 0.08983482 -0.08983482 1.0 0.09482564 0.09482564 -0.09482564 1.0 0.09981647 0.09981647 -0.09981647 1.0 0.10480729 0.10480729 -0.10480729 1.0 0.10979811 0.10979811 -0.10979811 1.0 0.11478894 0.11478894 -0.11478894 1.0 0.11977976 0.11977976 -0.11977976 1.0 0.12477058 0.12477058 -0.12477058 1.0 0.12976141 0.12976141 -0.12976141 1.0 0.13475223 0.13475223 -0.13475223 1.0 0.13974305 0.13974305 -0.13974305 1.0 0.14473388 0.14473388 -0.14473388 1.0 0.14972470 0.14972470 -0.14972470 1.0 0.15471552 0.15471552 -0.15471552 1.0 0.15970635 0.15970635 -0.15970635 1.0 0.16469717 0.16469717 -0.16469717 1.0 0.16968799 0.16968799 -0.16968799 1.0 0.17467881 0.17467881 -0.17467881 1.0 0.17966964 0.17966964 -0.17966964 1.0 0.18466046 0.18466046 -0.18466046 1.0 0.18965128 0.18965128 -0.18965128 1.0 0.19464211 0.19464211 -0.19464211 1.0 0.19963293 0.19963293 -0.19963293 1.0 0.20462375 0.20462375 -0.20462375 1.0 0.20961458 0.20961458 -0.20961458 1.0 0.21460540 0.21460540 -0.21460540 1.0 0.21959622 0.21959622 -0.21959622 1.0 0.22458705 0.22458705 -0.22458705 1.0 0.22957787 0.22957787 -0.22957787 1.0 0.23456869 0.23456869 -0.23456869 1.0 0.23955952 0.23955952 -0.23955952 1.0 0.24455034 0.24455034 -0.24455034 1.0 0.24954116 0.24954116 -0.24954116 1.0 0.25453199 0.25453199 -0.25453199 1.0 0.25952281 0.25952281 -0.25952281 1.0 0.26451363 0.26451363 -0.26451363 1.0 0.26950446 0.26950446 -0.26950446 1.0 0.27449528 0.27449528 -0.27449528 1.0 0.27948610 0.27948610 -0.27948610 1.0 0.28447693 0.28447693 -0.28447693 1.0 0.28946775 0.28946775 -0.28946775 1.0 0.29445857 0.29445857 -0.29445857 1.0 0.29944940 0.29944940 -0.29944940 1.0 0.30444022 0.30444022 -0.30444022 1.0 0.30943104 0.30943104 -0.30943104 1.0 0.31442187 0.31442187 -0.31442187 1.0 0.31941269 0.31941269 -0.31941269 1.0 0.32440351 0.32440351 -0.32440351 1.0 0.32440351 0.32440351 -0.32440351 1.0 0.32258879 0.32258879 -0.31039367 1.0 0.32077407 0.32077407 -0.29638383 1.0 0.31895935 0.31895935 -0.28237399 1.0 0.31714463 0.31714463 -0.26836415 1.0 0.31532991 0.31532991 -0.25435430 1.0 0.31351519 0.31351519 -0.24034446 1.0 0.31170047 0.31170047 -0.22633462 1.0 0.30988575 0.30988575 -0.21232478 1.0 0.30807103 0.30807103 -0.19831494 1.0 0.30625631 0.30625631 -0.18430510 1.0 0.30444160 0.30444160 -0.17029525 1.0 0.30262688 0.30262688 -0.15628541 1.0 0.30081216 0.30081216 -0.14227557 1.0 0.29899744 0.29899744 -0.12826573 1.0 0.29718272 0.29718272 -0.11425589 1.0 0.29536800 0.29536800 -0.10024604 1.0 0.29355328 0.29355328 -0.08623620 1.0 0.29173856 0.29173856 -0.07222636 1.0 0.28992384 0.28992384 -0.05821652 1.0 0.28810912 0.28810912 -0.04420668 1.0 0.28629440 0.28629440 -0.03019684 1.0 0.28447968 0.28447968 -0.01618699 1.0 0.28266496 0.28266496 -0.00217715 1.0 0.28085024 0.28085024 0.01183269 1.0 0.27903552 0.27903552 0.02584253 1.0 0.27722080 0.27722080 0.03985237 1.0 0.27540608 0.27540608 0.05386221 1.0 0.27359136 0.27359136 0.06787206 1.0 0.27177664 0.27177664 0.08188190 1.0 0.26996192 0.26996192 0.09589174 1.0 0.26814720 0.26814720 0.10990158 1.0 0.26633248 0.26633248 0.12391142 1.0 0.26451776 0.26451776 0.13792127 1.0 0.26270304 0.26270304 0.15193111 1.0 0.26088832 0.26088832 0.16594095 1.0 0.25907360 0.25907360 0.17995079 1.0 0.25725888 0.25725888 0.19396063 1.0 0.25544416 0.25544416 0.20797047 1.0 0.25362944 0.25362944 0.22198032 1.0 0.25181472 0.25181472 0.23599016 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.24074074 0.25925926 0.24074074 1.0 0.23148148 0.26851852 0.23148148 1.0 0.22222222 0.27777778 0.22222222 1.0 0.21296296 0.28703704 0.21296296 1.0 0.20370370 0.29629630 0.20370370 1.0 0.19444444 0.30555556 0.19444444 1.0 0.18518519 0.31481481 0.18518519 1.0 0.17592593 0.32407407 0.17592593 1.0 0.16666667 0.33333333 0.16666667 1.0 0.15740741 0.34259259 0.15740741 1.0 0.14814815 0.35185185 0.14814815 1.0 0.13888889 0.36111111 0.13888889 1.0 0.12962963 0.37037037 0.12962963 1.0 0.12037037 0.37962963 0.12037037 1.0 0.11111111 0.38888889 0.11111111 1.0 0.10185185 0.39814815 0.10185185 1.0 0.09259259 0.40740741 0.09259259 1.0 0.08333333 0.41666667 0.08333333 1.0 0.07407407 0.42592593 0.07407407 1.0 0.06481481 0.43518519 0.06481481 1.0 0.05555556 0.44444444 0.05555556 1.0 0.04629630 0.45370370 0.04629630 1.0 0.03703704 0.46296296 0.03703704 1.0 0.02777778 0.47222222 0.02777778 1.0 0.01851852 0.48148148 0.01851852 1.0 0.00925926 0.49074074 0.00925926 1.0 0.00000000 0.50000000 -0.00000000 1.0 0.00000000 0.50000000 -0.00000000 1.0 -0.01046463 0.50566440 0.01046463 1.0 -0.02092926 0.51132881 0.02092926 1.0 -0.03139389 0.51699321 0.03139389 1.0 -0.04185852 0.52265761 0.04185852 1.0 -0.05232315 0.52832201 0.05232315 1.0 -0.06278778 0.53398642 0.06278778 1.0 -0.07325241 0.53965082 0.07325241 1.0 -0.08371704 0.54531522 0.08371704 1.0 -0.09418167 0.55097963 0.09418167 1.0 -0.10464629 0.55664403 0.10464629 1.0 -0.11511092 0.56230843 0.11511092 1.0 -0.12557555 0.56797283 0.12557555 1.0 -0.13604018 0.57363724 0.13604018 1.0 -0.14650481 0.57930164 0.14650481 1.0 -0.15696944 0.58496604 0.15696944 1.0 -0.16743407 0.59063044 0.16743407 1.0 -0.17789870 0.59629485 0.17789870 1.0 -0.18836333 0.60195925 0.18836333 1.0 -0.19882796 0.60762365 0.19882796 1.0 -0.20929259 0.61328806 0.20929259 1.0 -0.21975722 0.61895246 0.21975722 1.0 -0.23022185 0.62461686 0.23022185 1.0 -0.24068648 0.63028126 0.24068648 1.0 -0.25115111 0.63594567 0.25115111 1.0 -0.26161574 0.64161007 0.26161574 1.0 -0.27208037 0.64727447 0.27208037 1.0 -0.28254500 0.65293888 0.28254500 1.0 -0.29300962 0.65860328 0.29300962 1.0 -0.30347425 0.66426768 0.30347425 1.0 -0.31393888 0.66993208 0.31393888 1.0 -0.32440351 0.67559649 0.32440351 1.0 -0.32440351 0.67559649 0.32440351 1.0 -0.32942056 0.67057944 0.32942056 1.0 -0.33443760 0.66556240 0.33443760 1.0 -0.33945464 0.66054536 0.33945464 1.0 -0.34447168 0.65552832 0.34447168 1.0 -0.34948873 0.65051127 0.34948873 1.0 -0.35450577 0.64549423 0.35450577 1.0 -0.35952281 0.64047719 0.35952281 1.0 -0.36453985 0.63546015 0.36453985 1.0 -0.36955690 0.63044310 0.36955690 1.0 -0.37457394 0.62542606 0.37457394 1.0 -0.37959098 0.62040902 0.37959098 1.0 -0.38460802 0.61539198 0.38460802 1.0 -0.38962507 0.61037493 0.38962507 1.0 -0.39464211 0.60535789 0.39464211 1.0 -0.39965915 0.60034085 0.39965915 1.0 -0.40467619 0.59532381 0.40467619 1.0 -0.40969324 0.59030676 0.40969324 1.0 -0.41471028 0.58528972 0.41471028 1.0 -0.41972732 0.58027268 0.41972732 1.0 -0.42474436 0.57525564 0.42474436 1.0 -0.42976141 0.57023859 0.42976141 1.0 -0.43477845 0.56522155 0.43477845 1.0 -0.43979549 0.56020451 0.43979549 1.0 -0.44481253 0.55518747 0.44481253 1.0 -0.44982958 0.55017042 0.44982958 1.0 -0.45484662 0.54515338 0.45484662 1.0 -0.45986366 0.54013634 0.45986366 1.0 -0.46488070 0.53511930 0.46488070 1.0 -0.46989775 0.53010225 0.46989775 1.0 -0.47491479 0.52508521 0.47491479 1.0 -0.47993183 0.52006817 0.47993183 1.0 -0.48494887 0.51505113 0.48494887 1.0 -0.48996592 0.51003408 0.48996592 1.0 -0.49498296 0.50501704 0.49498296 1.0 -0.50000000 0.50000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00500000 0.00500000 0.49500000 1.0 0.01000000 0.01000000 0.49000000 1.0 0.01500000 0.01500000 0.48500000 1.0 0.02000000 0.02000000 0.48000000 1.0 0.02500000 0.02500000 0.47500000 1.0 0.03000000 0.03000000 0.47000000 1.0 0.03500000 0.03500000 0.46500000 1.0 0.04000000 0.04000000 0.46000000 1.0 0.04500000 0.04500000 0.45500000 1.0 0.05000000 0.05000000 0.45000000 1.0 0.05500000 0.05500000 0.44500000 1.0 0.06000000 0.06000000 0.44000000 1.0 0.06500000 0.06500000 0.43500000 1.0 0.07000000 0.07000000 0.43000000 1.0 0.07500000 0.07500000 0.42500000 1.0 0.08000000 0.08000000 0.42000000 1.0 0.08500000 0.08500000 0.41500000 1.0 0.09000000 0.09000000 0.41000000 1.0 0.09500000 0.09500000 0.40500000 1.0 0.10000000 0.10000000 0.40000000 1.0 0.10500000 0.10500000 0.39500000 1.0 0.11000000 0.11000000 0.39000000 1.0 0.11500000 0.11500000 0.38500000 1.0 0.12000000 0.12000000 0.38000000 1.0 0.12500000 0.12500000 0.37500000 1.0 0.13000000 0.13000000 0.37000000 1.0 0.13500000 0.13500000 0.36500000 1.0 0.14000000 0.14000000 0.36000000 1.0 0.14500000 0.14500000 0.35500000 1.0 0.15000000 0.15000000 0.35000000 1.0 0.15500000 0.15500000 0.34500000 1.0 0.16000000 0.16000000 0.34000000 1.0 0.16500000 0.16500000 0.33500000 1.0 0.17000000 0.17000000 0.33000000 1.0 0.17500000 0.17500000 0.32500000 1.0 0.18000000 0.18000000 0.32000000 1.0 0.18500000 0.18500000 0.31500000 1.0 0.19000000 0.19000000 0.31000000 1.0 0.19500000 0.19500000 0.30500000 1.0 0.20000000 0.20000000 0.30000000 1.0 0.20500000 0.20500000 0.29500000 1.0 0.21000000 0.21000000 0.29000000 1.0 0.21500000 0.21500000 0.28500000 1.0 0.22000000 0.22000000 0.28000000 1.0 0.22500000 0.22500000 0.27500000 1.0 0.23000000 0.23000000 0.27000000 1.0 0.23500000 0.23500000 0.26500000 1.0 0.24000000 0.24000000 0.26000000 1.0 0.24500000 0.24500000 0.25500000 1.0 0.25000000 0.25000000 0.25000000 1.0