# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/379db8c9-7281-4105-8115-939b8e75151a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SmCuSe2 / P2_1/c (14) / materials id 11793](https://mdr.nims.go.jp/datasets/7c5f6ec8-b5f4-4700-be87-58cb7b530d5e) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:58:18]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 6.516038451741504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.329409899999999 0.000000000000000 c -0.746487182179428 0.000000000000000 7.008773793182225Atomic positions (fractional): *1 Cu 0.06306030180173 0.16275643443323 0.04516500700785 63.546 2 Cu 0.93693969819827 0.83724356556677 0.95483499299215 63.546 3 Cu 0.06306030180173 0.33724356556677 0.54516500700785 63.546 4 Cu 0.93693969819827 0.66275643443323 0.45483499299215 63.546 *5 Se 0.41893125903492 0.27841818903245 0.50160162319953 78.960 6 Se 0.41893125903492 0.22158181096755 0.00160162319953 78.960 7 Se 0.58106874096508 0.77841818903245 0.99839837680047 78.960 8 Se 0.58106874096508 0.72158181096755 0.49839837680047 78.960 *9 Se 0.89430348795996 0.39283304136741 0.22067043028149 78.960 10 Se 0.10569651204004 0.89283304136741 0.27932956971851 78.960 11 Se 0.10569651204004 0.60716695863259 0.77932956971851 78.960 12 Se 0.89430348795996 0.10716695863259 0.72067043028149 78.960 *13 Sm 0.69322377617701 0.45565494905988 0.80065447200496 150.360 14 Sm 0.30677622382299 0.95565494905988 0.69934552799504 150.360 15 Sm 0.30677622382299 0.54434505094012 0.19934552799504 150.360 16 Sm 0.69322377617701 0.04434505094012 0.30065447200496 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.516038451741504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.329409899999999 0.000000000000000 c -0.746487182179428 0.000000000000000 7.008773793182225Atomic positions (fractional): *1 Cu 0.06306030180173 0.16275643443323 0.04516500700785 63.546 > 1 2 Cu 0.93693969819827 0.83724356556677 0.95483499299215 63.546 > 2 3 Cu 0.06306030180173 0.33724356556677 0.54516500700785 63.546 > 3 4 Cu 0.93693969819827 0.66275643443323 0.45483499299215 63.546 > 4 *5 Se 0.41893125903492 0.27841818903245 0.50160162319953 78.960 > 5 6 Se 0.41893125903492 0.22158181096755 0.00160162319953 78.960 > 6 7 Se 0.58106874096508 0.77841818903245 0.99839837680047 78.960 > 7 8 Se 0.58106874096508 0.72158181096755 0.49839837680047 78.960 > 8 *9 Se 0.89430348795996 0.39283304136741 0.22067043028149 78.960 > 9 10 Se 0.10569651204004 0.89283304136741 0.27932956971851 78.960 > 10 11 Se 0.10569651204004 0.60716695863259 0.77932956971851 78.960 > 11 12 Se 0.89430348795996 0.10716695863259 0.72067043028149 78.960 > 12 *13 Sm 0.69322377617701 0.45565494905988 0.80065447200496 150.360 > 13 14 Sm 0.30677622382299 0.95565494905988 0.69934552799504 150.360 > 14 15 Sm 0.30677622382299 0.54434505094012 0.19934552799504 150.360 > 15 16 Sm 0.69322377617701 0.04434505094012 0.30065447200496 150.360 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 13.032076903483008 0.000000000000000 0.000000000000000 b 0.000000000000000 14.658819799999998 0.000000000000000 c -1.492974364358856 0.000000000000000 14.017547586364451Atomic positions (fractional): *1 Cu 0.03153015090087 0.08137821721661 0.02258250350393 63.546 > 1 2 Cu 0.53153015090087 0.08137821721661 0.02258250350393 63.546 > 1 3 Cu 0.03153015090087 0.58137821721661 0.02258250350393 63.546 > 1 4 Cu 0.53153015090087 0.58137821721661 0.02258250350393 63.546 > 1 5 Cu 0.03153015090087 0.08137821721661 0.52258250350393 63.546 > 1 6 Cu 0.53153015090087 0.08137821721661 0.52258250350393 63.546 > 1 7 Cu 0.03153015090087 0.58137821721661 0.52258250350393 63.546 > 1 8 Cu 0.53153015090087 0.58137821721661 0.52258250350393 63.546 > 1 9 Cu 0.46846984909913 0.41862178278339 0.47741749649607 63.546 > 2 10 Cu 0.96846984909913 0.41862178278339 0.47741749649607 63.546 > 2 11 Cu 0.46846984909913 0.91862178278339 0.47741749649607 63.546 > 2 12 Cu 0.96846984909913 0.91862178278339 0.47741749649607 63.546 > 2 13 Cu 0.46846984909913 0.41862178278339 0.97741749649607 63.546 > 2 14 Cu 0.96846984909913 0.41862178278339 0.97741749649607 63.546 > 2 15 Cu 0.46846984909913 0.91862178278339 0.97741749649607 63.546 > 2 16 Cu 0.96846984909913 0.91862178278339 0.97741749649607 63.546 > 2 17 Cu 0.03153015090087 0.16862178278339 0.27258250350393 63.546 > 3 18 Cu 0.53153015090087 0.16862178278339 0.27258250350393 63.546 > 3 19 Cu 0.03153015090087 0.66862178278339 0.27258250350393 63.546 > 3 20 Cu 0.53153015090087 0.66862178278339 0.27258250350393 63.546 > 3 21 Cu 0.03153015090087 0.16862178278339 0.77258250350393 63.546 > 3 22 Cu 0.53153015090087 0.16862178278339 0.77258250350393 63.546 > 3 23 Cu 0.03153015090087 0.66862178278339 0.77258250350393 63.546 > 3 24 Cu 0.53153015090087 0.66862178278339 0.77258250350393 63.546 > 3 25 Cu 0.46846984909913 0.33137821721661 0.22741749649607 63.546 > 4 26 Cu 0.96846984909913 0.33137821721661 0.22741749649607 63.546 > 4 27 Cu 0.46846984909913 0.83137821721661 0.22741749649607 63.546 > 4 28 Cu 0.96846984909913 0.83137821721661 0.22741749649607 63.546 > 4 29 Cu 0.46846984909913 0.33137821721661 0.72741749649607 63.546 > 4 30 Cu 0.96846984909913 0.33137821721661 0.72741749649607 63.546 > 4 31 Cu 0.46846984909913 0.83137821721661 0.72741749649607 63.546 > 4 32 Cu 0.96846984909913 0.83137821721661 0.72741749649607 63.546 > 4 *33 Se 0.20946562951746 0.13920909451622 0.25080081159976 78.960 > 5 34 Se 0.70946562951746 0.13920909451622 0.25080081159976 78.960 > 5 35 Se 0.20946562951746 0.63920909451622 0.25080081159976 78.960 > 5 36 Se 0.70946562951746 0.63920909451622 0.25080081159976 78.960 > 5 37 Se 0.20946562951746 0.13920909451622 0.75080081159976 78.960 > 5 38 Se 0.70946562951746 0.13920909451622 0.75080081159976 78.960 > 5 39 Se 0.20946562951746 0.63920909451622 0.75080081159976 78.960 > 5 40 Se 0.70946562951746 0.63920909451622 0.75080081159976 78.960 > 5 41 Se 0.20946562951746 0.11079090548378 0.00080081159976 78.960 > 6 42 Se 0.70946562951746 0.11079090548378 0.00080081159976 78.960 > 6 43 Se 0.20946562951746 0.61079090548378 0.00080081159976 78.960 > 6 44 Se 0.70946562951746 0.61079090548378 0.00080081159976 78.960 > 6 45 Se 0.20946562951746 0.11079090548378 0.50080081159976 78.960 > 6 46 Se 0.70946562951746 0.11079090548378 0.50080081159976 78.960 > 6 47 Se 0.20946562951746 0.61079090548378 0.50080081159976 78.960 > 6 48 Se 0.70946562951746 0.61079090548378 0.50080081159976 78.960 > 6 49 Se 0.29053437048254 0.38920909451622 0.49919918840024 78.960 > 7 50 Se 0.79053437048254 0.38920909451622 0.49919918840024 78.960 > 7 51 Se 0.29053437048254 0.88920909451622 0.49919918840024 78.960 > 7 52 Se 0.79053437048254 0.88920909451622 0.49919918840024 78.960 > 7 53 Se 0.29053437048254 0.38920909451622 0.99919918840024 78.960 > 7 54 Se 0.79053437048254 0.38920909451622 0.99919918840024 78.960 > 7 55 Se 0.29053437048254 0.88920909451622 0.99919918840024 78.960 > 7 56 Se 0.79053437048254 0.88920909451622 0.99919918840024 78.960 > 7 57 Se 0.29053437048254 0.36079090548378 0.24919918840024 78.960 > 8 58 Se 0.79053437048254 0.36079090548378 0.24919918840024 78.960 > 8 59 Se 0.29053437048254 0.86079090548378 0.24919918840024 78.960 > 8 60 Se 0.79053437048254 0.86079090548378 0.24919918840024 78.960 > 8 61 Se 0.29053437048254 0.36079090548378 0.74919918840024 78.960 > 8 62 Se 0.79053437048254 0.36079090548378 0.74919918840024 78.960 > 8 63 Se 0.29053437048254 0.86079090548378 0.74919918840024 78.960 > 8 64 Se 0.79053437048254 0.86079090548378 0.74919918840024 78.960 > 8 *65 Se 0.44715174397998 0.19641652068370 0.11033521514075 78.960 > 9 66 Se 0.94715174397998 0.19641652068370 0.11033521514075 78.960 > 9 67 Se 0.44715174397998 0.69641652068370 0.11033521514075 78.960 > 9 68 Se 0.94715174397998 0.69641652068370 0.11033521514075 78.960 > 9 69 Se 0.44715174397998 0.19641652068370 0.61033521514075 78.960 > 9 70 Se 0.94715174397998 0.19641652068370 0.61033521514075 78.960 > 9 71 Se 0.44715174397998 0.69641652068370 0.61033521514075 78.960 > 9 72 Se 0.94715174397998 0.69641652068370 0.61033521514075 78.960 > 9 73 Se 0.05284825602002 0.44641652068370 0.13966478485925 78.960 > 10 74 Se 0.55284825602002 0.44641652068370 0.13966478485925 78.960 > 10 75 Se 0.05284825602002 0.94641652068370 0.13966478485925 78.960 > 10 76 Se 0.55284825602002 0.94641652068370 0.13966478485925 78.960 > 10 77 Se 0.05284825602002 0.44641652068370 0.63966478485925 78.960 > 10 78 Se 0.55284825602002 0.44641652068370 0.63966478485925 78.960 > 10 79 Se 0.05284825602002 0.94641652068370 0.63966478485925 78.960 > 10 80 Se 0.55284825602002 0.94641652068370 0.63966478485925 78.960 > 10 81 Se 0.05284825602002 0.30358347931630 0.38966478485925 78.960 > 11 82 Se 0.55284825602002 0.30358347931630 0.38966478485925 78.960 > 11 83 Se 0.05284825602002 0.80358347931630 0.38966478485925 78.960 > 11 84 Se 0.55284825602002 0.80358347931630 0.38966478485925 78.960 > 11 85 Se 0.05284825602002 0.30358347931630 0.88966478485925 78.960 > 11 86 Se 0.55284825602002 0.30358347931630 0.88966478485925 78.960 > 11 87 Se 0.05284825602002 0.80358347931630 0.88966478485925 78.960 > 11 88 Se 0.55284825602002 0.80358347931630 0.88966478485925 78.960 > 11 89 Se 0.44715174397998 0.05358347931630 0.36033521514075 78.960 > 12 90 Se 0.94715174397998 0.05358347931630 0.36033521514075 78.960 > 12 91 Se 0.44715174397998 0.55358347931630 0.36033521514075 78.960 > 12 92 Se 0.94715174397998 0.55358347931630 0.36033521514075 78.960 > 12 93 Se 0.44715174397998 0.05358347931630 0.86033521514075 78.960 > 12 94 Se 0.94715174397998 0.05358347931630 0.86033521514075 78.960 > 12 95 Se 0.44715174397998 0.55358347931630 0.86033521514075 78.960 > 12 96 Se 0.94715174397998 0.55358347931630 0.86033521514075 78.960 > 12 *97 Sm 0.34661188808850 0.22782747452994 0.40032723600248 150.360 > 13 98 Sm 0.84661188808850 0.22782747452994 0.40032723600248 150.360 > 13 99 Sm 0.34661188808850 0.72782747452994 0.40032723600248 150.360 > 13 100 Sm 0.84661188808850 0.72782747452994 0.40032723600248 150.360 > 13 101 Sm 0.34661188808850 0.22782747452994 0.90032723600248 150.360 > 13 102 Sm 0.84661188808850 0.22782747452994 0.90032723600248 150.360 > 13 103 Sm 0.34661188808850 0.72782747452994 0.90032723600248 150.360 > 13 104 Sm 0.84661188808850 0.72782747452994 0.90032723600248 150.360 > 13 105 Sm 0.15338811191150 0.47782747452994 0.34967276399752 150.360 > 14 106 Sm 0.65338811191150 0.47782747452994 0.34967276399752 150.360 > 14 107 Sm 0.15338811191150 0.97782747452994 0.34967276399752 150.360 > 14 108 Sm 0.65338811191150 0.97782747452994 0.34967276399752 150.360 > 14 109 Sm 0.15338811191150 0.47782747452994 0.84967276399752 150.360 > 14 110 Sm 0.65338811191150 0.47782747452994 0.84967276399752 150.360 > 14 111 Sm 0.15338811191150 0.97782747452994 0.84967276399752 150.360 > 14 112 Sm 0.65338811191150 0.97782747452994 0.84967276399752 150.360 > 14 113 Sm 0.15338811191150 0.27217252547006 0.09967276399752 150.360 > 15 114 Sm 0.65338811191150 0.27217252547006 0.09967276399752 150.360 > 15 115 Sm 0.15338811191150 0.77217252547006 0.09967276399752 150.360 > 15 116 Sm 0.65338811191150 0.77217252547006 0.09967276399752 150.360 > 15 117 Sm 0.15338811191150 0.27217252547006 0.59967276399752 150.360 > 15 118 Sm 0.65338811191150 0.27217252547006 0.59967276399752 150.360 > 15 119 Sm 0.15338811191150 0.77217252547006 0.59967276399752 150.360 > 15 120 Sm 0.65338811191150 0.77217252547006 0.59967276399752 150.360 > 15 121 Sm 0.34661188808850 0.02217252547006 0.15032723600248 150.360 > 16 122 Sm 0.84661188808850 0.02217252547006 0.15032723600248 150.360 > 16 123 Sm 0.34661188808850 0.52217252547006 0.15032723600248 150.360 > 16 124 Sm 0.84661188808850 0.52217252547006 0.15032723600248 150.360 > 16 125 Sm 0.34661188808850 0.02217252547006 0.65032723600248 150.360 > 16 126 Sm 0.84661188808850 0.02217252547006 0.65032723600248 150.360 > 16 127 Sm 0.34661188808850 0.52217252547006 0.65032723600248 150.360 > 16 128 Sm 0.84661188808850 0.52217252547006 0.65032723600248 150.360 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.1394136 0.0000000 1.7552202 0.0000000 14.9384599 0.0000000 1.7552186 0.0000000 15.2093518-------------------------- Born effective charges -------------------------- 1 Cu 0.5399546 -0.0819092 0.1796631 -0.0825355 0.8612692 -0.2099268 0.0720587 -0.1954664 1.1520077 2 Cu 0.5399546 -0.0819092 0.1796631 -0.0825355 0.8612692 -0.2099268 0.0720587 -0.1954664 1.1520077 3 Cu 0.5399546 0.0819092 0.1796631 0.0825355 0.8612692 0.2099268 0.0720587 0.1954664 1.1520077 4 Cu 0.5399546 0.0819092 0.1796631 0.0825355 0.8612692 0.2099268 0.0720587 0.1954664 1.1520077 5 Se -2.4704579 0.1573723 0.2975197 0.1466774 -3.1198161 0.2419767 -0.1323472 0.3231010 -2.1662661 6 Se -2.4704579 -0.1573723 0.2975197 -0.1466774 -3.1198161 -0.2419767 -0.1323472 -0.3231010 -2.1662661 7 Se -2.4704579 -0.1573723 0.2975197 -0.1466774 -3.1198161 -0.2419767 -0.1323472 -0.3231010 -2.1662661 8 Se -2.4704579 0.1573723 0.2975197 0.1466774 -3.1198161 0.2419767 -0.1323472 0.3231010 -2.1662661 9 Se -2.1927402 -0.4530279 -0.5051667 -0.5101937 -2.6635790 0.0882972 -0.0724755 0.1967388 -3.0341455 10 Se -2.1927402 0.4530279 -0.5051667 0.5101937 -2.6635790 -0.0882972 -0.0724755 -0.1967388 -3.0341455 11 Se -2.1927402 -0.4530279 -0.5051667 -0.5101937 -2.6635790 0.0882972 -0.0724755 0.1967388 -3.0341455 12 Se -2.1927402 0.4530279 -0.5051667 0.5101937 -2.6635790 -0.0882972 -0.0724755 -0.1967388 -3.0341455 13 Sm 4.1232434 0.1245419 0.0279839 0.1642974 4.9221259 -0.0800262 0.1327641 -0.3202357 4.0484039 14 Sm 4.1232434 -0.1245419 0.0279839 -0.1642974 4.9221259 0.0800262 0.1327641 0.3202357 4.0484039 15 Sm 4.1232434 0.1245419 0.0279839 0.1642974 4.9221259 -0.0800262 0.1327641 -0.3202357 4.0484039 16 Sm 4.1232434 -0.1245419 0.0279839 -0.1642974 4.9221259 0.0800262 0.1327641 0.3202357 4.0484039----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2400Number of blocks in projector: 2400Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found.(1) 505 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2400, 2365), data: False|-- (288, 284), data: True|-- (288, 284), data: True|-- (288, 284), data: True|-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 0.931Solver_block: 200 / 480 - Time: 0.931Solver_block: 300 / 480 - Time: 0.899Solver_block: 400 / 480 - Time: 0.917Solver_block: 480 / 480 - Time: 0.738Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.510--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2400Number of blocks in projector: 2400Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found.(1) 504 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 512Use submatrix version of eigh solver.(1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found.(1) 505 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 288Use standard eigh solver.Tree of FC basis block matrices:- (2400, 2365), data: False|-- (288, 284), data: True|-- (288, 284), data: True|-- (288, 284), data: True|-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True|-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:58:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:58:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.516038451741504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.329409899999999 0.000000000000000 c -0.746487182179428 0.000000000000000 7.008773793182225Atomic positions (fractional): 1 Cu 0.06306030180173 0.16275643443323 0.04516500700785 63.546 2 Cu 0.93693969819827 0.83724356556677 0.95483499299215 63.546 3 Cu 0.06306030180173 0.33724356556677 0.54516500700785 63.546 4 Cu 0.93693969819827 0.66275643443323 0.45483499299215 63.546 5 Se 0.41893125903492 0.27841818903245 0.50160162319953 78.960 6 Se 0.41893125903492 0.22158181096755 0.00160162319953 78.960 7 Se 0.58106874096508 0.77841818903245 0.99839837680047 78.960 8 Se 0.58106874096508 0.72158181096755 0.49839837680047 78.960 9 Se 0.89430348795996 0.39283304136741 0.22067043028149 78.960 10 Se 0.10569651204004 0.89283304136741 0.27932956971851 78.960 11 Se 0.10569651204004 0.60716695863259 0.77932956971851 78.960 12 Se 0.89430348795996 0.10716695863259 0.72067043028149 78.960 13 Sm 0.69322377617701 0.45565494905988 0.80065447200496 150.360 14 Sm 0.30677622382299 0.95565494905988 0.69934552799504 150.360 15 Sm 0.30677622382299 0.54434505094012 0.19934552799504 150.360 16 Sm 0.69322377617701 0.04434505094012 0.30065447200496 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 13.032076903483008 0.000000000000000 0.000000000000000 b 0.000000000000000 14.658819799999998 0.000000000000000 c -1.492974364358856 0.000000000000000 14.017547586364451Atomic positions (fractional): 1 Cu 0.03153015090087 0.08137821721661 0.02258250350393 63.546 > 1 2 Cu 0.53153015090087 0.08137821721661 0.02258250350393 63.546 > 1 3 Cu 0.03153015090087 0.58137821721661 0.02258250350393 63.546 > 1 4 Cu 0.53153015090087 0.58137821721661 0.02258250350393 63.546 > 1 5 Cu 0.03153015090087 0.08137821721661 0.52258250350393 63.546 > 1 6 Cu 0.53153015090087 0.08137821721661 0.52258250350393 63.546 > 1 7 Cu 0.03153015090087 0.58137821721661 0.52258250350393 63.546 > 1 8 Cu 0.53153015090087 0.58137821721661 0.52258250350393 63.546 > 1 9 Cu 0.46846984909913 0.41862178278339 0.47741749649607 63.546 > 9 10 Cu 0.96846984909913 0.41862178278339 0.47741749649607 63.546 > 9 11 Cu 0.46846984909913 0.91862178278339 0.47741749649607 63.546 > 9 12 Cu 0.96846984909913 0.91862178278339 0.47741749649607 63.546 > 9 13 Cu 0.46846984909913 0.41862178278339 0.97741749649607 63.546 > 9 14 Cu 0.96846984909913 0.41862178278339 0.97741749649607 63.546 > 9 15 Cu 0.46846984909913 0.91862178278339 0.97741749649607 63.546 > 9 16 Cu 0.96846984909913 0.91862178278339 0.97741749649607 63.546 > 9 17 Cu 0.03153015090087 0.16862178278339 0.27258250350393 63.546 > 17 18 Cu 0.53153015090087 0.16862178278339 0.27258250350393 63.546 > 17 19 Cu 0.03153015090087 0.66862178278339 0.27258250350393 63.546 > 17 20 Cu 0.53153015090087 0.66862178278339 0.27258250350393 63.546 > 17 21 Cu 0.03153015090087 0.16862178278339 0.77258250350393 63.546 > 17 22 Cu 0.53153015090087 0.16862178278339 0.77258250350393 63.546 > 17 23 Cu 0.03153015090087 0.66862178278339 0.77258250350393 63.546 > 17 24 Cu 0.53153015090087 0.66862178278339 0.77258250350393 63.546 > 17 25 Cu 0.46846984909913 0.33137821721661 0.22741749649607 63.546 > 25 26 Cu 0.96846984909913 0.33137821721661 0.22741749649607 63.546 > 25 27 Cu 0.46846984909913 0.83137821721661 0.22741749649607 63.546 > 25 28 Cu 0.96846984909913 0.83137821721661 0.22741749649607 63.546 > 25 29 Cu 0.46846984909913 0.33137821721661 0.72741749649607 63.546 > 25 30 Cu 0.96846984909913 0.33137821721661 0.72741749649607 63.546 > 25 31 Cu 0.46846984909913 0.83137821721661 0.72741749649607 63.546 > 25 32 Cu 0.96846984909913 0.83137821721661 0.72741749649607 63.546 > 25 33 Se 0.20946562951746 0.13920909451622 0.25080081159976 78.960 > 33 34 Se 0.70946562951746 0.13920909451622 0.25080081159976 78.960 > 33 35 Se 0.20946562951746 0.63920909451622 0.25080081159976 78.960 > 33 36 Se 0.70946562951746 0.63920909451622 0.25080081159976 78.960 > 33 37 Se 0.20946562951746 0.13920909451622 0.75080081159976 78.960 > 33 38 Se 0.70946562951746 0.13920909451622 0.75080081159976 78.960 > 33 39 Se 0.20946562951746 0.63920909451622 0.75080081159976 78.960 > 33 40 Se 0.70946562951746 0.63920909451622 0.75080081159976 78.960 > 33 41 Se 0.20946562951746 0.11079090548378 0.00080081159976 78.960 > 41 42 Se 0.70946562951746 0.11079090548378 0.00080081159976 78.960 > 41 43 Se 0.20946562951746 0.61079090548378 0.00080081159976 78.960 > 41 44 Se 0.70946562951746 0.61079090548378 0.00080081159976 78.960 > 41 45 Se 0.20946562951746 0.11079090548378 0.50080081159976 78.960 > 41 46 Se 0.70946562951746 0.11079090548378 0.50080081159976 78.960 > 41 47 Se 0.20946562951746 0.61079090548378 0.50080081159976 78.960 > 41 48 Se 0.70946562951746 0.61079090548378 0.50080081159976 78.960 > 41 49 Se 0.29053437048254 0.38920909451622 0.49919918840024 78.960 > 49 50 Se 0.79053437048254 0.38920909451622 0.49919918840024 78.960 > 49 51 Se 0.29053437048254 0.88920909451622 0.49919918840024 78.960 > 49 52 Se 0.79053437048254 0.88920909451622 0.49919918840024 78.960 > 49 53 Se 0.29053437048254 0.38920909451622 0.99919918840024 78.960 > 49 54 Se 0.79053437048254 0.38920909451622 0.99919918840024 78.960 > 49 55 Se 0.29053437048254 0.88920909451622 0.99919918840024 78.960 > 49 56 Se 0.79053437048254 0.88920909451622 0.99919918840024 78.960 > 49 57 Se 0.29053437048254 0.36079090548378 0.24919918840024 78.960 > 57 58 Se 0.79053437048254 0.36079090548378 0.24919918840024 78.960 > 57 59 Se 0.29053437048254 0.86079090548378 0.24919918840024 78.960 > 57 60 Se 0.79053437048254 0.86079090548378 0.24919918840024 78.960 > 57 61 Se 0.29053437048254 0.36079090548378 0.74919918840024 78.960 > 57 62 Se 0.79053437048254 0.36079090548378 0.74919918840024 78.960 > 57 63 Se 0.29053437048254 0.86079090548378 0.74919918840024 78.960 > 57 64 Se 0.79053437048254 0.86079090548378 0.74919918840024 78.960 > 57 65 Se 0.44715174397998 0.19641652068370 0.11033521514075 78.960 > 65 66 Se 0.94715174397998 0.19641652068370 0.11033521514075 78.960 > 65 67 Se 0.44715174397998 0.69641652068370 0.11033521514075 78.960 > 65 68 Se 0.94715174397998 0.69641652068370 0.11033521514075 78.960 > 65 69 Se 0.44715174397998 0.19641652068370 0.61033521514075 78.960 > 65 70 Se 0.94715174397998 0.19641652068370 0.61033521514075 78.960 > 65 71 Se 0.44715174397998 0.69641652068370 0.61033521514075 78.960 > 65 72 Se 0.94715174397998 0.69641652068370 0.61033521514075 78.960 > 65 73 Se 0.05284825602002 0.44641652068370 0.13966478485925 78.960 > 73 74 Se 0.55284825602002 0.44641652068370 0.13966478485925 78.960 > 73 75 Se 0.05284825602002 0.94641652068370 0.13966478485925 78.960 > 73 76 Se 0.55284825602002 0.94641652068370 0.13966478485925 78.960 > 73 77 Se 0.05284825602002 0.44641652068370 0.63966478485925 78.960 > 73 78 Se 0.55284825602002 0.44641652068370 0.63966478485925 78.960 > 73 79 Se 0.05284825602002 0.94641652068370 0.63966478485925 78.960 > 73 80 Se 0.55284825602002 0.94641652068370 0.63966478485925 78.960 > 73 81 Se 0.05284825602002 0.30358347931630 0.38966478485925 78.960 > 81 82 Se 0.55284825602002 0.30358347931630 0.38966478485925 78.960 > 81 83 Se 0.05284825602002 0.80358347931630 0.38966478485925 78.960 > 81 84 Se 0.55284825602002 0.80358347931630 0.38966478485925 78.960 > 81 85 Se 0.05284825602002 0.30358347931630 0.88966478485925 78.960 > 81 86 Se 0.55284825602002 0.30358347931630 0.88966478485925 78.960 > 81 87 Se 0.05284825602002 0.80358347931630 0.88966478485925 78.960 > 81 88 Se 0.55284825602002 0.80358347931630 0.88966478485925 78.960 > 81 89 Se 0.44715174397998 0.05358347931630 0.36033521514075 78.960 > 89 90 Se 0.94715174397998 0.05358347931630 0.36033521514075 78.960 > 89 91 Se 0.44715174397998 0.55358347931630 0.36033521514075 78.960 > 89 92 Se 0.94715174397998 0.55358347931630 0.36033521514075 78.960 > 89 93 Se 0.44715174397998 0.05358347931630 0.86033521514075 78.960 > 89 94 Se 0.94715174397998 0.05358347931630 0.86033521514075 78.960 > 89 95 Se 0.44715174397998 0.55358347931630 0.86033521514075 78.960 > 89 96 Se 0.94715174397998 0.55358347931630 0.86033521514075 78.960 > 89 97 Sm 0.34661188808850 0.22782747452994 0.40032723600248 150.360 > 97 98 Sm 0.84661188808850 0.22782747452994 0.40032723600248 150.360 > 97 99 Sm 0.34661188808850 0.72782747452994 0.40032723600248 150.360 > 97 100 Sm 0.84661188808850 0.72782747452994 0.40032723600248 150.360 > 97 101 Sm 0.34661188808850 0.22782747452994 0.90032723600248 150.360 > 97 102 Sm 0.84661188808850 0.22782747452994 0.90032723600248 150.360 > 97 103 Sm 0.34661188808850 0.72782747452994 0.90032723600248 150.360 > 97 104 Sm 0.84661188808850 0.72782747452994 0.90032723600248 150.360 > 97 105 Sm 0.15338811191150 0.47782747452994 0.34967276399752 150.360 > 105 106 Sm 0.65338811191150 0.47782747452994 0.34967276399752 150.360 > 105 107 Sm 0.15338811191150 0.97782747452994 0.34967276399752 150.360 > 105 108 Sm 0.65338811191150 0.97782747452994 0.34967276399752 150.360 > 105 109 Sm 0.15338811191150 0.47782747452994 0.84967276399752 150.360 > 105 110 Sm 0.65338811191150 0.47782747452994 0.84967276399752 150.360 > 105 111 Sm 0.15338811191150 0.97782747452994 0.84967276399752 150.360 > 105 112 Sm 0.65338811191150 0.97782747452994 0.84967276399752 150.360 > 105 113 Sm 0.15338811191150 0.27217252547006 0.09967276399752 150.360 > 113 114 Sm 0.65338811191150 0.27217252547006 0.09967276399752 150.360 > 113 115 Sm 0.15338811191150 0.77217252547006 0.09967276399752 150.360 > 113 116 Sm 0.65338811191150 0.77217252547006 0.09967276399752 150.360 > 113 117 Sm 0.15338811191150 0.27217252547006 0.59967276399752 150.360 > 113 118 Sm 0.65338811191150 0.27217252547006 0.59967276399752 150.360 > 113 119 Sm 0.15338811191150 0.77217252547006 0.59967276399752 150.360 > 113 120 Sm 0.65338811191150 0.77217252547006 0.59967276399752 150.360 > 113 121 Sm 0.34661188808850 0.02217252547006 0.15032723600248 150.360 > 121 122 Sm 0.84661188808850 0.02217252547006 0.15032723600248 150.360 > 121 123 Sm 0.34661188808850 0.52217252547006 0.15032723600248 150.360 > 121 124 Sm 0.84661188808850 0.52217252547006 0.15032723600248 150.360 > 121 125 Sm 0.34661188808850 0.02217252547006 0.65032723600248 150.360 > 121 126 Sm 0.84661188808850 0.02217252547006 0.65032723600248 150.360 > 121 127 Sm 0.34661188808850 0.52217252547006 0.65032723600248 150.360 > 121 128 Sm 0.84661188808850 0.52217252547006 0.65032723600248 150.360 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.1394136 0.0000000 1.7552202 0.0000000 14.9384599 0.0000000 1.7552186 0.0000000 15.2093518-------------------------- Born effective charges -------------------------- 1 Cu 0.5399546 -0.0819092 0.1796631 -0.0825355 0.8612692 -0.2099268 0.0720587 -0.1954664 1.1520077 2 Cu 0.5399546 -0.0819092 0.1796631 -0.0825355 0.8612692 -0.2099268 0.0720587 -0.1954664 1.1520077 3 Cu 0.5399546 0.0819092 0.1796631 0.0825355 0.8612692 0.2099268 0.0720587 0.1954664 1.1520077 4 Cu 0.5399546 0.0819092 0.1796631 0.0825355 0.8612692 0.2099268 0.0720587 0.1954664 1.1520077 5 Se -2.4704579 0.1573723 0.2975197 0.1466774 -3.1198161 0.2419767 -0.1323472 0.3231010 -2.1662661 6 Se -2.4704579 -0.1573723 0.2975197 -0.1466774 -3.1198161 -0.2419767 -0.1323472 -0.3231010 -2.1662661 7 Se -2.4704579 -0.1573723 0.2975197 -0.1466774 -3.1198161 -0.2419767 -0.1323472 -0.3231010 -2.1662661 8 Se -2.4704579 0.1573723 0.2975197 0.1466774 -3.1198161 0.2419767 -0.1323472 0.3231010 -2.1662661 9 Se -2.1927402 -0.4530279 -0.5051667 -0.5101937 -2.6635790 0.0882972 -0.0724755 0.1967388 -3.0341455 10 Se -2.1927402 0.4530279 -0.5051667 0.5101937 -2.6635790 -0.0882972 -0.0724755 -0.1967388 -3.0341455 11 Se -2.1927402 -0.4530279 -0.5051667 -0.5101937 -2.6635790 0.0882972 -0.0724755 0.1967388 -3.0341455 12 Se -2.1927402 0.4530279 -0.5051667 0.5101937 -2.6635790 -0.0882972 -0.0724755 -0.1967388 -3.0341455 13 Sm 4.1232434 0.1245419 0.0279839 0.1642974 4.9221259 -0.0800262 0.1327641 -0.3202357 4.0484039 14 Sm 4.1232434 -0.1245419 0.0279839 -0.1642974 4.9221259 0.0800262 0.1327641 0.3202357 4.0484039 15 Sm 4.1232434 0.1245419 0.0279839 0.1642974 4.9221259 -0.0800262 0.1327641 -0.3202357 4.0484039 16 Sm 4.1232434 -0.1245419 0.0279839 -0.1642974 4.9221259 0.0800262 0.1327641 0.3202357 4.0484039----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000005 (xxx) 0.00000005 (xxx) 0.00000005 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:59:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:59:10]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.516038451741504 0.000000000000000 0.000000000000000 b 0.000000000000000 7.329409899999999 0.000000000000000 c -0.746487182179428 0.000000000000000 7.008773793182225Atomic positions (fractional): 1 Cu 0.06306030180173 0.16275643443323 0.04516500700785 63.546 2 Cu 0.93693969819827 0.83724356556677 0.95483499299215 63.546 3 Cu 0.06306030180173 0.33724356556677 0.54516500700785 63.546 4 Cu 0.93693969819827 0.66275643443323 0.45483499299215 63.546 5 Se 0.41893125903492 0.27841818903245 0.50160162319953 78.960 6 Se 0.41893125903492 0.22158181096755 0.00160162319953 78.960 7 Se 0.58106874096508 0.77841818903245 0.99839837680047 78.960 8 Se 0.58106874096508 0.72158181096755 0.49839837680047 78.960 9 Se 0.89430348795996 0.39283304136741 0.22067043028149 78.960 10 Se 0.10569651204004 0.89283304136741 0.27932956971851 78.960 11 Se 0.10569651204004 0.60716695863259 0.77932956971851 78.960 12 Se 0.89430348795996 0.10716695863259 0.72067043028149 78.960 13 Sm 0.69322377617701 0.45565494905988 0.80065447200496 150.360 14 Sm 0.30677622382299 0.95565494905988 0.69934552799504 150.360 15 Sm 0.30677622382299 0.54434505094012 0.19934552799504 150.360 16 Sm 0.69322377617701 0.04434505094012 0.30065447200496 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 13.032076903483008 0.000000000000000 0.000000000000000 b 0.000000000000000 14.658819799999998 0.000000000000000 c -1.492974364358856 0.000000000000000 14.017547586364451Atomic positions (fractional): 1 Cu 0.03153015090087 0.08137821721661 0.02258250350393 63.546 > 1 2 Cu 0.53153015090087 0.08137821721661 0.02258250350393 63.546 > 1 3 Cu 0.03153015090087 0.58137821721661 0.02258250350393 63.546 > 1 4 Cu 0.53153015090087 0.58137821721661 0.02258250350393 63.546 > 1 5 Cu 0.03153015090087 0.08137821721661 0.52258250350393 63.546 > 1 6 Cu 0.53153015090087 0.08137821721661 0.52258250350393 63.546 > 1 7 Cu 0.03153015090087 0.58137821721661 0.52258250350393 63.546 > 1 8 Cu 0.53153015090087 0.58137821721661 0.52258250350393 63.546 > 1 9 Cu 0.46846984909913 0.41862178278339 0.47741749649607 63.546 > 9 10 Cu 0.96846984909913 0.41862178278339 0.47741749649607 63.546 > 9 11 Cu 0.46846984909913 0.91862178278339 0.47741749649607 63.546 > 9 12 Cu 0.96846984909913 0.91862178278339 0.47741749649607 63.546 > 9 13 Cu 0.46846984909913 0.41862178278339 0.97741749649607 63.546 > 9 14 Cu 0.96846984909913 0.41862178278339 0.97741749649607 63.546 > 9 15 Cu 0.46846984909913 0.91862178278339 0.97741749649607 63.546 > 9 16 Cu 0.96846984909913 0.91862178278339 0.97741749649607 63.546 > 9 17 Cu 0.03153015090087 0.16862178278339 0.27258250350393 63.546 > 17 18 Cu 0.53153015090087 0.16862178278339 0.27258250350393 63.546 > 17 19 Cu 0.03153015090087 0.66862178278339 0.27258250350393 63.546 > 17 20 Cu 0.53153015090087 0.66862178278339 0.27258250350393 63.546 > 17 21 Cu 0.03153015090087 0.16862178278339 0.77258250350393 63.546 > 17 22 Cu 0.53153015090087 0.16862178278339 0.77258250350393 63.546 > 17 23 Cu 0.03153015090087 0.66862178278339 0.77258250350393 63.546 > 17 24 Cu 0.53153015090087 0.66862178278339 0.77258250350393 63.546 > 17 25 Cu 0.46846984909913 0.33137821721661 0.22741749649607 63.546 > 25 26 Cu 0.96846984909913 0.33137821721661 0.22741749649607 63.546 > 25 27 Cu 0.46846984909913 0.83137821721661 0.22741749649607 63.546 > 25 28 Cu 0.96846984909913 0.83137821721661 0.22741749649607 63.546 > 25 29 Cu 0.46846984909913 0.33137821721661 0.72741749649607 63.546 > 25 30 Cu 0.96846984909913 0.33137821721661 0.72741749649607 63.546 > 25 31 Cu 0.46846984909913 0.83137821721661 0.72741749649607 63.546 > 25 32 Cu 0.96846984909913 0.83137821721661 0.72741749649607 63.546 > 25 33 Se 0.20946562951746 0.13920909451622 0.25080081159976 78.960 > 33 34 Se 0.70946562951746 0.13920909451622 0.25080081159976 78.960 > 33 35 Se 0.20946562951746 0.63920909451622 0.25080081159976 78.960 > 33 36 Se 0.70946562951746 0.63920909451622 0.25080081159976 78.960 > 33 37 Se 0.20946562951746 0.13920909451622 0.75080081159976 78.960 > 33 38 Se 0.70946562951746 0.13920909451622 0.75080081159976 78.960 > 33 39 Se 0.20946562951746 0.63920909451622 0.75080081159976 78.960 > 33 40 Se 0.70946562951746 0.63920909451622 0.75080081159976 78.960 > 33 41 Se 0.20946562951746 0.11079090548378 0.00080081159976 78.960 > 41 42 Se 0.70946562951746 0.11079090548378 0.00080081159976 78.960 > 41 43 Se 0.20946562951746 0.61079090548378 0.00080081159976 78.960 > 41 44 Se 0.70946562951746 0.61079090548378 0.00080081159976 78.960 > 41 45 Se 0.20946562951746 0.11079090548378 0.50080081159976 78.960 > 41 46 Se 0.70946562951746 0.11079090548378 0.50080081159976 78.960 > 41 47 Se 0.20946562951746 0.61079090548378 0.50080081159976 78.960 > 41 48 Se 0.70946562951746 0.61079090548378 0.50080081159976 78.960 > 41 49 Se 0.29053437048254 0.38920909451622 0.49919918840024 78.960 > 49 50 Se 0.79053437048254 0.38920909451622 0.49919918840024 78.960 > 49 51 Se 0.29053437048254 0.88920909451622 0.49919918840024 78.960 > 49 52 Se 0.79053437048254 0.88920909451622 0.49919918840024 78.960 > 49 53 Se 0.29053437048254 0.38920909451622 0.99919918840024 78.960 > 49 54 Se 0.79053437048254 0.38920909451622 0.99919918840024 78.960 > 49 55 Se 0.29053437048254 0.88920909451622 0.99919918840024 78.960 > 49 56 Se 0.79053437048254 0.88920909451622 0.99919918840024 78.960 > 49 57 Se 0.29053437048254 0.36079090548378 0.24919918840024 78.960 > 57 58 Se 0.79053437048254 0.36079090548378 0.24919918840024 78.960 > 57 59 Se 0.29053437048254 0.86079090548378 0.24919918840024 78.960 > 57 60 Se 0.79053437048254 0.86079090548378 0.24919918840024 78.960 > 57 61 Se 0.29053437048254 0.36079090548378 0.74919918840024 78.960 > 57 62 Se 0.79053437048254 0.36079090548378 0.74919918840024 78.960 > 57 63 Se 0.29053437048254 0.86079090548378 0.74919918840024 78.960 > 57 64 Se 0.79053437048254 0.86079090548378 0.74919918840024 78.960 > 57 65 Se 0.44715174397998 0.19641652068370 0.11033521514075 78.960 > 65 66 Se 0.94715174397998 0.19641652068370 0.11033521514075 78.960 > 65 67 Se 0.44715174397998 0.69641652068370 0.11033521514075 78.960 > 65 68 Se 0.94715174397998 0.69641652068370 0.11033521514075 78.960 > 65 69 Se 0.44715174397998 0.19641652068370 0.61033521514075 78.960 > 65 70 Se 0.94715174397998 0.19641652068370 0.61033521514075 78.960 > 65 71 Se 0.44715174397998 0.69641652068370 0.61033521514075 78.960 > 65 72 Se 0.94715174397998 0.69641652068370 0.61033521514075 78.960 > 65 73 Se 0.05284825602002 0.44641652068370 0.13966478485925 78.960 > 73 74 Se 0.55284825602002 0.44641652068370 0.13966478485925 78.960 > 73 75 Se 0.05284825602002 0.94641652068370 0.13966478485925 78.960 > 73 76 Se 0.55284825602002 0.94641652068370 0.13966478485925 78.960 > 73 77 Se 0.05284825602002 0.44641652068370 0.63966478485925 78.960 > 73 78 Se 0.55284825602002 0.44641652068370 0.63966478485925 78.960 > 73 79 Se 0.05284825602002 0.94641652068370 0.63966478485925 78.960 > 73 80 Se 0.55284825602002 0.94641652068370 0.63966478485925 78.960 > 73 81 Se 0.05284825602002 0.30358347931630 0.38966478485925 78.960 > 81 82 Se 0.55284825602002 0.30358347931630 0.38966478485925 78.960 > 81 83 Se 0.05284825602002 0.80358347931630 0.38966478485925 78.960 > 81 84 Se 0.55284825602002 0.80358347931630 0.38966478485925 78.960 > 81 85 Se 0.05284825602002 0.30358347931630 0.88966478485925 78.960 > 81 86 Se 0.55284825602002 0.30358347931630 0.88966478485925 78.960 > 81 87 Se 0.05284825602002 0.80358347931630 0.88966478485925 78.960 > 81 88 Se 0.55284825602002 0.80358347931630 0.88966478485925 78.960 > 81 89 Se 0.44715174397998 0.05358347931630 0.36033521514075 78.960 > 89 90 Se 0.94715174397998 0.05358347931630 0.36033521514075 78.960 > 89 91 Se 0.44715174397998 0.55358347931630 0.36033521514075 78.960 > 89 92 Se 0.94715174397998 0.55358347931630 0.36033521514075 78.960 > 89 93 Se 0.44715174397998 0.05358347931630 0.86033521514075 78.960 > 89 94 Se 0.94715174397998 0.05358347931630 0.86033521514075 78.960 > 89 95 Se 0.44715174397998 0.55358347931630 0.86033521514075 78.960 > 89 96 Se 0.94715174397998 0.55358347931630 0.86033521514075 78.960 > 89 97 Sm 0.34661188808850 0.22782747452994 0.40032723600248 150.360 > 97 98 Sm 0.84661188808850 0.22782747452994 0.40032723600248 150.360 > 97 99 Sm 0.34661188808850 0.72782747452994 0.40032723600248 150.360 > 97 100 Sm 0.84661188808850 0.72782747452994 0.40032723600248 150.360 > 97 101 Sm 0.34661188808850 0.22782747452994 0.90032723600248 150.360 > 97 102 Sm 0.84661188808850 0.22782747452994 0.90032723600248 150.360 > 97 103 Sm 0.34661188808850 0.72782747452994 0.90032723600248 150.360 > 97 104 Sm 0.84661188808850 0.72782747452994 0.90032723600248 150.360 > 97 105 Sm 0.15338811191150 0.47782747452994 0.34967276399752 150.360 > 105 106 Sm 0.65338811191150 0.47782747452994 0.34967276399752 150.360 > 105 107 Sm 0.15338811191150 0.97782747452994 0.34967276399752 150.360 > 105 108 Sm 0.65338811191150 0.97782747452994 0.34967276399752 150.360 > 105 109 Sm 0.15338811191150 0.47782747452994 0.84967276399752 150.360 > 105 110 Sm 0.65338811191150 0.47782747452994 0.84967276399752 150.360 > 105 111 Sm 0.15338811191150 0.97782747452994 0.84967276399752 150.360 > 105 112 Sm 0.65338811191150 0.97782747452994 0.84967276399752 150.360 > 105 113 Sm 0.15338811191150 0.27217252547006 0.09967276399752 150.360 > 113 114 Sm 0.65338811191150 0.27217252547006 0.09967276399752 150.360 > 113 115 Sm 0.15338811191150 0.77217252547006 0.09967276399752 150.360 > 113 116 Sm 0.65338811191150 0.77217252547006 0.09967276399752 150.360 > 113 117 Sm 0.15338811191150 0.27217252547006 0.59967276399752 150.360 > 113 118 Sm 0.65338811191150 0.27217252547006 0.59967276399752 150.360 > 113 119 Sm 0.15338811191150 0.77217252547006 0.59967276399752 150.360 > 113 120 Sm 0.65338811191150 0.77217252547006 0.59967276399752 150.360 > 113 121 Sm 0.34661188808850 0.02217252547006 0.15032723600248 150.360 > 121 122 Sm 0.84661188808850 0.02217252547006 0.15032723600248 150.360 > 121 123 Sm 0.34661188808850 0.52217252547006 0.15032723600248 150.360 > 121 124 Sm 0.84661188808850 0.52217252547006 0.15032723600248 150.360 > 121 125 Sm 0.34661188808850 0.02217252547006 0.65032723600248 150.360 > 121 126 Sm 0.84661188808850 0.02217252547006 0.65032723600248 150.360 > 121 127 Sm 0.34661188808850 0.52217252547006 0.65032723600248 150.360 > 121 128 Sm 0.84661188808850 0.52217252547006 0.65032723600248 150.360 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 12.1394136 0.0000000 1.7552202 0.0000000 14.9384599 0.0000000 1.7552186 0.0000000 15.2093518-------------------------- Born effective charges -------------------------- 1 Cu 0.5399546 -0.0819092 0.1796631 -0.0825355 0.8612692 -0.2099268 0.0720587 -0.1954664 1.1520077 2 Cu 0.5399546 -0.0819092 0.1796631 -0.0825355 0.8612692 -0.2099268 0.0720587 -0.1954664 1.1520077 3 Cu 0.5399546 0.0819092 0.1796631 0.0825355 0.8612692 0.2099268 0.0720587 0.1954664 1.1520077 4 Cu 0.5399546 0.0819092 0.1796631 0.0825355 0.8612692 0.2099268 0.0720587 0.1954664 1.1520077 5 Se -2.4704579 0.1573723 0.2975197 0.1466774 -3.1198161 0.2419767 -0.1323472 0.3231010 -2.1662661 6 Se -2.4704579 -0.1573723 0.2975197 -0.1466774 -3.1198161 -0.2419767 -0.1323472 -0.3231010 -2.1662661 7 Se -2.4704579 -0.1573723 0.2975197 -0.1466774 -3.1198161 -0.2419767 -0.1323472 -0.3231010 -2.1662661 8 Se -2.4704579 0.1573723 0.2975197 0.1466774 -3.1198161 0.2419767 -0.1323472 0.3231010 -2.1662661 9 Se -2.1927402 -0.4530279 -0.5051667 -0.5101937 -2.6635790 0.0882972 -0.0724755 0.1967388 -3.0341455 10 Se -2.1927402 0.4530279 -0.5051667 0.5101937 -2.6635790 -0.0882972 -0.0724755 -0.1967388 -3.0341455 11 Se -2.1927402 -0.4530279 -0.5051667 -0.5101937 -2.6635790 0.0882972 -0.0724755 0.1967388 -3.0341455 12 Se -2.1927402 0.4530279 -0.5051667 0.5101937 -2.6635790 -0.0882972 -0.0724755 -0.1967388 -3.0341455 13 Sm 4.1232434 0.1245419 0.0279839 0.1642974 4.9221259 -0.0800262 0.1327641 -0.3202357 4.0484039 14 Sm 4.1232434 -0.1245419 0.0279839 -0.1642974 4.9221259 0.0800262 0.1327641 0.3202357 4.0484039 15 Sm 4.1232434 0.1245419 0.0279839 0.1642974 4.9221259 -0.0800262 0.1327641 -0.3202357 4.0484039 16 Sm 4.1232434 -0.1245419 0.0279839 -0.1642974 4.9221259 0.0800262 0.1327641 0.3202357 4.0484039----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000005 (xxx) 0.00000005 (xxx) 0.00000005 (xxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 7 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 299, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/116) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/116) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( 19.830 0.000 2.128) 19.944 0.455 ( 22.730 0.000 1.919) 22.811 0.665 ( 33.068 0.000 8.009) 34.024 1.723 ( -8.558 0.000 -1.940) 8.775 1.915 ( 0.270 0.000 -1.317) 1.344 1.923 ( 0.833 0.000 2.267) 2.415 2.101 ( -2.827 0.000 3.373) 4.401 2.174 ( -2.413 0.000 1.085) 2.646 2.316 ( 1.474 0.000 1.055) 1.813 2.389 ( -2.609 0.000 1.754) 3.144 2.405 ( 0.313 0.000 1.862) 1.888 2.587 ( -1.962 0.000 1.400) 2.411 2.634 ( -4.882 0.000 -3.817) 6.197 2.672 ( 0.165 0.000 -0.095) 0.190 2.786 ( 2.338 0.000 -0.539) 2.400 2.835 ( 2.518 0.000 1.750) 3.067 2.947 ( -5.433 0.000 0.721) 5.481 3.026 ( -0.740 0.000 2.411) 2.522 3.296 ( 1.488 0.000 -5.611) 5.805 3.301 ( -1.300 0.000 -2.220) 2.573 3.438 ( 3.230 0.000 -1.573) 3.593 3.629 ( -4.479 0.000 1.959) 4.889 3.894 ( 1.372 0.000 -1.856) 2.308 4.043 ( -0.501 0.000 0.175) 0.531 4.055 ( -0.094 0.000 2.567) 2.568 4.207 ( -0.132 0.000 -0.443) 0.462 4.269 ( -6.318 0.000 -0.507) 6.339 4.497 ( 2.430 0.000 -2.044) 3.175 4.565 ( 3.094 0.000 0.036) 3.094 4.693 ( 3.115 0.000 -0.547) 3.163 4.934 ( -2.248 0.000 -3.617) 4.258 4.938 ( 0.259 0.000 3.508) 3.517 4.977 ( 1.660 0.000 1.129) 2.007 4.990 ( -1.577 0.000 0.167) 1.586 5.104 ( 0.547 0.000 -2.271) 2.336 5.223 ( -5.500 0.000 -2.816) 6.179 5.353 ( 3.177 0.000 -2.648) 4.136 5.416 ( 0.791 0.000 0.051) 0.793 5.469 ( 2.771 0.000 0.005) 2.771 5.620 ( -2.653 0.000 2.205) 3.449 5.658 ( 0.138 0.000 1.310) 1.318 5.770 ( 3.630 0.000 -1.341) 3.870 5.831 ( -1.193 0.000 8.495) 8.579 5.854 ( -0.303 0.000 0.289) 0.418 6.007 ( -0.800 0.000 0.615) 1.009 6.015 ( -0.314 0.000 1.176) 1.217 6.053 ( -2.202 0.000 -0.155) 2.208 6.327 ( 2.431 0.000 -7.880) 8.246======================= Grid point 2 (3/116) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( 18.368 0.000 2.217) 18.501 0.862 ( 18.754 0.000 1.719) 18.833 1.284 ( 29.102 0.000 7.757) 30.118 1.532 ( -10.633 0.000 -1.302) 10.712 1.858 ( -6.117 0.000 -2.993) 6.811 1.906 ( -2.565 0.000 1.735) 3.097 2.117 ( 4.718 0.000 -0.400) 4.735 2.130 ( -2.079 0.000 3.669) 4.217 2.318 ( -1.237 0.000 -3.610) 3.817 2.326 ( -4.085 0.000 3.588) 5.437 2.428 ( 1.321 0.000 4.159) 4.364 2.516 ( -5.019 0.000 -4.372) 6.656 2.553 ( -2.374 0.000 -3.309) 4.072 2.675 ( 0.059 0.000 1.002) 1.003 2.810 ( -8.384 0.000 1.186) 8.468 2.819 ( 0.420 0.000 -0.740) 0.851 2.898 ( 3.217 0.000 2.304) 3.957 3.049 ( 2.963 0.000 3.736) 4.769 3.269 ( -1.262 0.000 -3.568) 3.785 3.305 ( 0.228 0.000 -5.608) 5.613 3.492 ( 2.376 0.000 -1.382) 2.749 3.515 ( -7.400 0.000 2.315) 7.753 3.923 ( 1.868 0.000 -1.627) 2.478 3.968 ( -6.926 0.000 -3.865) 7.931 4.061 ( -0.169 0.000 5.898) 5.901 4.199 ( -0.586 0.000 -0.891) 1.067 4.201 ( -0.788 0.000 -1.462) 1.661 4.511 ( 0.172 0.000 2.363) 2.369 4.638 ( 3.619 0.000 -1.925) 4.099 4.772 ( 4.901 0.000 -1.028) 5.008 4.854 ( -4.067 0.000 -0.421) 4.089 4.961 ( 1.163 0.000 4.043) 4.207 4.995 ( 0.977 0.000 0.900) 1.329 5.005 ( 0.599 0.000 2.989) 3.049 5.116 ( -0.896 0.000 -5.138) 5.215 5.130 ( -1.073 0.000 -0.623) 1.241 5.395 ( 1.853 0.000 -4.336) 4.716 5.444 ( 1.680 0.000 2.197) 2.766 5.469 ( -2.170 0.000 -1.975) 2.935 5.610 ( 0.568 0.000 2.507) 2.571 5.669 ( 0.712 0.000 2.191) 2.304 5.797 ( -0.360 0.000 -1.857) 1.891 5.823 ( -0.863 0.000 3.288) 3.399 5.872 ( 1.655 0.000 1.030) 1.949 5.990 ( -0.933 0.000 0.875) 1.279 5.995 ( -3.547 0.000 -0.310) 3.560 6.015 ( 0.197 0.000 1.750) 1.761 6.365 ( 2.444 0.000 -3.486) 4.257======================= Grid point 3 (4/116) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 15.430 0.000 2.257) 15.594 1.150 ( 9.571 0.000 1.722) 9.724 1.344 ( -7.050 0.000 -0.696) 7.085 1.694 ( -9.414 0.000 -2.836) 9.832 1.783 ( 20.075 0.000 8.109) 21.651 1.863 ( -1.325 0.000 -0.307) 1.360 2.119 ( -0.163 0.000 5.909) 5.912 2.217 ( 0.155 0.000 -8.643) 8.645 2.264 ( -2.797 0.000 4.078) 4.945 2.293 ( 4.450 0.000 0.976) 4.555 2.396 ( -5.770 0.000 -8.364) 10.161 2.466 ( 2.476 0.000 0.738) 2.583 2.515 ( -1.077 0.000 -2.634) 2.846 2.664 ( -6.193 0.000 1.763) 6.439 2.673 ( -1.312 0.000 3.364) 3.611 2.800 ( -1.842 0.000 0.153) 1.848 2.957 ( 2.180 0.000 1.855) 2.863 3.124 ( 1.217 0.000 4.591) 4.749 3.242 ( -0.745 0.000 -2.741) 2.841 3.264 ( -1.871 0.000 -4.706) 5.064 3.397 ( -3.904 0.000 -0.752) 3.976 3.523 ( 1.164 0.000 -0.735) 1.377 3.818 ( -6.956 0.000 -0.832) 7.006 3.951 ( 1.127 0.000 -0.704) 1.329 4.069 ( -0.067 0.000 3.581) 3.582 4.185 ( -0.617 0.000 -0.736) 0.961 4.191 ( -0.221 0.000 -2.782) 2.791 4.530 ( 1.187 0.000 2.536) 2.801 4.674 ( 0.247 0.000 -0.753) 0.792 4.805 ( -0.809 0.000 -0.143) 0.822 4.860 ( 4.135 0.000 -1.041) 4.264 4.987 ( 0.526 0.000 2.821) 2.870 5.011 ( -0.529 0.000 1.197) 1.308 5.016 ( 0.872 0.000 0.884) 1.242 5.063 ( -1.368 0.000 -0.389) 1.422 5.166 ( 2.374 0.000 -1.899) 3.040 5.413 ( -2.615 0.000 -1.391) 2.962 5.414 ( 1.001 0.000 -3.072) 3.232 5.473 ( 0.742 0.000 1.439) 1.619 5.625 ( 0.465 0.000 0.728) 0.864 5.695 ( 1.416 0.000 2.021) 2.467 5.778 ( -0.974 0.000 -0.672) 1.183 5.814 ( -0.552 0.000 1.109) 1.239 5.889 ( -0.096 0.000 0.737) 0.743 5.925 ( -3.282 0.000 -0.372) 3.303 5.982 ( -0.073 0.000 0.310) 0.318 6.030 ( 0.807 0.000 1.323) 1.550 6.399 ( 1.534 0.000 -1.518) 2.159======================= Grid point 4 (5/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( 0.000 0.000 -0.000) 0.000 1.299 ( 0.000 0.000 -0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 -0.000) 0.000 2.130 ( 0.000 0.000 -0.000) 0.000 2.250 ( -0.000 0.000 -0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 -0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 -0.000) 0.000 2.618 ( 0.000 0.000 -0.000) 0.000 2.777 ( 0.000 0.000 -0.000) 0.000 2.981 ( 0.000 0.000 -0.000) 0.000 3.089 ( 0.000 0.000 -0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 -0.000) 0.000 3.347 ( 0.000 0.000 -0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 -0.000) 0.000 3.961 ( 0.000 0.000 -0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 -0.000) 0.000 4.184 ( 0.000 0.000 -0.000) 0.000 4.550 ( 0.000 0.000 -0.000) 0.000 4.667 ( 0.000 0.000 -0.000) 0.000 4.803 ( 0.000 0.000 -0.000) 0.000 4.906 ( 0.000 0.000 -0.000) 0.000 4.994 ( 0.000 0.000 -0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 -0.000) 0.000 5.059 ( 0.000 0.000 -0.000) 0.000 5.190 ( 0.000 0.000 -0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 -0.000) 0.000 5.630 ( 0.000 0.000 -0.000) 0.000 5.716 ( -0.000 0.000 -0.000) 0.000 5.766 ( 0.000 0.000 -0.000) 0.000 5.809 ( 0.000 0.000 -0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 -0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/116) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( 0.000 22.194 0.000) 22.194 0.483 ( 0.000 24.373 0.000) 24.373 0.863 ( 0.000 42.868 0.000) 42.868 1.831 ( 0.000 -1.988 0.000) 1.988 1.918 ( 0.000 4.634 0.000) 4.634 1.933 ( 0.000 2.475 0.000) 2.475 2.139 ( 0.000 -5.312 0.000) 5.312 2.145 ( 0.000 3.978 0.000) 3.978 2.341 ( 0.000 4.349 0.000) 4.349 2.353 ( 0.000 -2.929 0.000) 2.929 2.457 ( 0.000 1.659 0.000) 1.659 2.500 ( 0.000 -12.485 0.000) 12.485 2.545 ( 0.000 -3.886 0.000) 3.886 2.668 ( 0.000 -0.295 0.000) 0.295 2.770 ( 0.000 -1.986 0.000) 1.986 2.933 ( 0.000 -2.626 0.000) 2.626 2.980 ( 0.000 5.875 0.000) 5.875 3.053 ( 0.000 2.233 0.000) 2.233 3.116 ( 0.000 6.697 0.000) 6.697 3.303 ( 0.000 -4.396 0.000) 4.396 3.364 ( 0.000 -3.717 0.000) 3.717 3.617 ( 0.000 -4.942 0.000) 4.942 3.721 ( 0.000 -10.511 0.000) 10.511 4.111 ( 0.000 6.053 0.000) 6.053 4.147 ( 0.000 0.053 0.000) 0.053 4.269 ( 0.000 1.198 0.000) 1.198 4.286 ( 0.000 -3.013 0.000) 3.013 4.441 ( 0.000 3.467 0.000) 3.467 4.491 ( 0.000 -1.098 0.000) 1.098 4.828 ( 0.000 -7.409 0.000) 7.409 4.901 ( 0.000 -0.912 0.000) 0.912 4.949 ( 0.000 2.105 0.000) 2.105 5.037 ( 0.000 0.975 0.000) 0.975 5.048 ( 0.000 1.915 0.000) 1.915 5.183 ( 0.000 5.384 0.000) 5.384 5.229 ( 0.000 0.417 0.000) 0.417 5.402 ( 0.000 -1.041 0.000) 1.041 5.424 ( 0.000 1.163 0.000) 1.163 5.495 ( 0.000 0.205 0.000) 0.205 5.589 ( 0.000 2.121 0.000) 2.121 5.653 ( 0.000 -0.126 0.000) 0.126 5.713 ( 0.000 1.143 0.000) 1.143 5.847 ( 0.000 -1.217 0.000) 1.217 5.989 ( 0.000 -1.897 0.000) 1.897 6.001 ( 0.000 -0.849 0.000) 0.849 6.075 ( 0.000 -0.003 0.000) 0.003 6.145 ( 0.000 1.038 0.000) 1.038 6.150 ( 0.000 -0.006 0.000) 0.006======================= Grid point 10 (7/116) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( 12.881 15.055 4.378) 20.292 0.598 ( 12.145 17.414 2.458) 21.372 1.090 ( 18.640 31.615 3.011) 36.824 1.762 ( -6.648 3.257 -1.673) 7.590 1.898 ( -0.699 -0.579 2.260) 2.435 1.974 ( 1.504 4.511 -1.380) 4.951 2.088 ( -2.555 -3.016 0.510) 3.986 2.163 ( -0.840 1.368 1.114) 1.954 2.332 ( -2.567 -3.693 2.543) 5.166 2.341 ( 0.391 1.873 -1.659) 2.533 2.453 ( 0.402 1.379 1.804) 2.307 2.523 ( 0.512 -7.000 0.420) 7.032 2.540 ( -0.909 -4.704 -0.630) 4.832 2.669 ( 0.092 -0.359 -0.108) 0.386 2.726 ( -2.350 -2.286 -2.202) 3.949 2.894 ( -4.245 -3.074 -0.192) 5.245 2.956 ( -1.319 4.444 1.377) 4.836 3.058 ( 0.789 2.634 2.295) 3.581 3.187 ( 3.579 -0.081 -1.870) 4.039 3.306 ( 0.977 -3.630 -3.004) 4.812 3.409 ( 3.510 -2.729 -0.481) 4.472 3.587 ( -3.226 -3.352 1.010) 4.761 3.737 ( 1.730 -10.440 -1.112) 10.640 4.087 ( -3.209 0.572 -4.320) 5.412 4.138 ( -0.907 2.106 5.040) 5.537 4.248 ( -0.951 2.725 2.470) 3.799 4.274 ( -0.467 5.016 -0.399) 5.053 4.475 ( 1.581 -5.037 1.114) 5.395 4.521 ( 3.489 2.066 -4.617) 6.145 4.840 ( 0.843 -6.534 1.395) 6.734 4.885 ( -1.561 5.945 1.185) 6.260 4.951 ( 0.599 0.599 -1.607) 1.817 4.972 ( -3.543 1.091 -0.761) 3.784 5.029 ( -2.095 2.566 1.949) 3.844 5.176 ( -0.074 5.413 -3.855) 6.646 5.201 ( -2.730 -0.279 -0.027) 2.744 5.403 ( 0.602 -1.217 1.184) 1.801 5.445 ( -1.654 4.110 -3.754) 5.807 5.454 ( 1.356 -1.380 -0.604) 2.027 5.626 ( 0.481 1.333 2.723) 3.069 5.662 ( 0.353 0.124 0.574) 0.686 5.714 ( 1.122 -1.300 0.063) 1.718 5.848 ( -0.007 -0.334 -0.079) 0.344 5.927 ( -4.393 2.088 4.998) 6.974 6.002 ( -0.274 -0.492 0.719) 0.914 6.024 ( -1.499 1.567 0.005) 2.168 6.068 ( -2.070 1.531 -0.316) 2.594 6.267 ( 4.328 -3.927 -4.709) 7.505======================= Grid point 11 (8/116) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 15.543 10.040 0.782) 18.520 0.903 ( 17.014 5.690 4.001) 18.381 1.456 ( 15.393 13.863 6.740) 21.784 1.597 ( -8.793 6.840 -0.861) 11.173 1.875 ( -2.259 -0.867 0.505) 2.472 1.929 ( -5.055 5.109 -2.245) 7.529 2.081 ( 0.356 -3.776 3.047) 4.865 2.182 ( 4.970 5.071 -1.004) 7.171 2.281 ( -2.967 -3.348 2.177) 4.975 2.328 ( -1.637 -0.108 -3.318) 3.702 2.460 ( -1.916 1.186 4.863) 5.360 2.488 ( -3.041 -2.130 -3.328) 4.986 2.526 ( 1.054 -1.670 -3.368) 3.905 2.666 ( -0.348 -1.136 0.803) 1.434 2.719 ( -0.117 -4.423 1.163) 4.575 2.782 ( -4.910 -2.887 -1.354) 5.855 2.949 ( -0.014 2.824 1.603) 3.247 3.103 ( 3.130 3.403 2.952) 5.486 3.204 ( -0.449 -2.565 -2.916) 3.910 3.332 ( 1.993 -2.593 -4.889) 5.882 3.459 ( 1.416 -2.577 0.351) 2.962 3.496 ( -6.241 -0.219 0.158) 6.247 3.778 ( 2.177 -9.735 0.530) 9.990 3.974 ( -6.659 -0.726 -2.057) 7.008 4.138 ( -0.328 4.727 2.482) 5.349 4.258 ( 0.938 5.932 -0.517) 6.028 4.264 ( -0.364 4.516 0.321) 4.542 4.493 ( 0.349 -1.481 1.263) 1.977 4.590 ( 4.143 -2.351 -3.366) 5.833 4.840 ( -2.171 -1.307 0.308) 2.553 4.875 ( 0.696 5.141 0.824) 5.252 4.917 ( -0.840 -1.818 2.245) 3.008 4.967 ( 0.893 -1.692 -0.041) 1.914 5.019 ( -0.027 1.174 3.045) 3.263 5.129 ( -3.242 0.956 -3.143) 4.615 5.184 ( 1.400 4.195 -2.500) 5.080 5.420 ( -0.720 -1.414 1.560) 2.225 5.427 ( 0.631 1.351 -3.882) 4.158 5.456 ( -0.276 -1.442 -1.108) 1.839 5.618 ( -1.011 0.413 2.304) 2.550 5.672 ( 0.760 0.292 1.526) 1.729 5.746 ( 1.465 -2.566 0.430) 2.986 5.833 ( -1.562 0.952 0.326) 1.858 5.896 ( -0.563 0.437 2.340) 2.446 5.994 ( -1.418 0.005 0.686) 1.575 6.008 ( -0.522 1.769 0.243) 1.860 6.029 ( -1.027 1.197 0.803) 1.770 6.325 ( 2.844 -3.501 -2.946) 5.388======================= Grid point 12 (9/116) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 11.949 6.023 1.780) 13.499 1.201 ( 12.304 4.088 0.933) 12.999 1.406 ( -6.568 5.742 0.428) 8.734 1.682 ( 2.703 -4.692 5.286) 7.567 1.756 ( -8.019 5.472 -2.761) 10.093 1.926 ( 5.175 2.855 2.087) 6.268 2.105 ( 1.406 -2.259 4.379) 5.124 2.200 ( -4.735 -0.118 -1.563) 4.988 2.270 ( -1.721 -2.406 -3.344) 4.464 2.338 ( 5.874 3.224 0.368) 6.710 2.387 ( -2.786 0.784 -3.514) 4.552 2.453 ( -0.937 -1.314 -0.191) 1.625 2.559 ( 2.386 3.347 -3.928) 5.685 2.611 ( -5.979 -1.214 1.090) 6.198 2.686 ( 1.094 0.344 4.083) 4.241 2.802 ( 3.578 -0.623 -1.310) 3.861 2.958 ( 0.502 1.360 1.893) 2.384 3.163 ( -0.220 2.232 3.606) 4.247 3.185 ( 0.610 -2.447 -2.251) 3.380 3.336 ( -2.829 -6.391 -0.718) 7.026 3.360 ( -3.981 6.120 -4.210) 8.428 3.485 ( 1.102 -3.075 -0.428) 3.294 3.778 ( -3.553 -6.216 2.222) 7.497 3.885 ( -0.714 -0.964 -1.646) 2.037 4.130 ( -0.681 4.653 0.508) 4.730 4.249 ( -0.540 5.446 -0.931) 5.551 4.279 ( 0.618 6.835 0.111) 6.864 4.504 ( 0.690 -1.636 1.221) 2.155 4.646 ( 1.731 -2.278 -1.349) 3.163 4.795 ( -1.413 -0.121 0.058) 1.420 4.898 ( 1.093 1.421 1.207) 2.161 4.935 ( 1.253 -4.508 1.191) 4.828 4.973 ( -0.381 -2.485 0.568) 2.577 5.022 ( -0.363 1.303 1.144) 1.772 5.085 ( -0.497 1.672 -0.568) 1.835 5.223 ( 2.750 4.045 -2.225) 5.373 5.373 ( -3.186 -2.262 -0.804) 3.990 5.434 ( 0.557 0.192 -2.394) 2.466 5.458 ( 0.080 -1.725 0.817) 1.911 5.608 ( -0.347 -2.035 0.743) 2.194 5.698 ( 1.519 0.357 1.692) 2.301 5.766 ( 0.520 -1.239 0.050) 1.345 5.802 ( -1.545 0.656 0.557) 1.769 5.885 ( -0.843 -0.646 0.932) 1.413 5.941 ( -2.843 1.641 -0.487) 3.318 6.015 ( 0.539 2.309 0.280) 2.388 6.034 ( 0.608 0.433 1.330) 1.526 6.365 ( 1.621 -3.350 -1.397) 3.975======================= Grid point 13 (10/116) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 0.000 6.493 -0.000) 6.493 1.285 ( 0.000 2.783 0.000) 2.783 1.446 ( 0.000 8.620 0.000) 8.620 1.577 ( 0.000 0.174 -0.000) 0.174 1.733 ( 0.000 -6.396 0.000) 6.396 2.041 ( 0.000 -4.016 -0.000) 4.016 2.061 ( 0.000 -0.406 -0.000) 0.406 2.165 ( 0.000 3.400 -0.000) 3.400 2.257 ( 0.000 -5.021 0.000) 5.021 2.308 ( 0.000 4.165 -0.000) 4.165 2.430 ( 0.000 0.473 -0.000) 0.473 2.446 ( 0.000 -3.041 -0.000) 3.041 2.546 ( -0.000 0.506 0.000) 0.506 2.580 ( 0.000 1.386 0.000) 1.386 2.716 ( 0.000 3.018 -0.000) 3.018 2.865 ( 0.000 9.252 -0.000) 9.252 2.963 ( 0.000 -1.073 0.000) 1.073 3.111 ( 0.000 1.482 0.000) 1.482 3.199 ( 0.000 -2.911 -0.000) 2.911 3.301 ( 0.000 -4.901 0.000) 4.901 3.329 ( 0.000 3.650 -0.000) 3.650 3.498 ( 0.000 -2.631 0.000) 2.631 3.729 ( 0.000 -2.636 -0.000) 2.636 3.888 ( 0.000 -3.216 0.000) 3.216 4.122 ( 0.000 4.595 0.000) 4.595 4.242 ( 0.000 5.547 -0.000) 5.547 4.284 ( 0.000 7.701 -0.000) 7.701 4.516 ( 0.000 -2.643 -0.000) 2.643 4.655 ( 0.000 -1.051 0.000) 1.051 4.787 ( 0.000 -1.074 0.000) 1.074 4.912 ( 0.000 -0.169 -0.000) 0.169 4.950 ( 0.000 -5.295 0.000) 5.295 4.967 ( 0.000 -2.631 -0.000) 2.631 5.016 ( -0.000 1.985 0.000) 1.985 5.088 ( 0.000 1.946 0.000) 1.946 5.255 ( 0.000 5.180 0.000) 5.180 5.332 ( 0.000 -3.787 0.000) 3.787 5.437 ( 0.000 -0.150 -0.000) 0.150 5.459 ( 0.000 -2.281 0.000) 2.281 5.606 ( 0.000 -2.666 -0.000) 2.666 5.721 ( 0.000 0.469 0.000) 0.469 5.768 ( 0.000 -0.365 -0.000) 0.365 5.787 ( 0.000 0.034 -0.000) 0.034 5.876 ( 0.000 -0.876 -0.000) 0.876 5.909 ( 0.000 2.129 0.000) 2.129 6.021 ( 0.000 2.606 0.000) 2.606 6.043 ( 0.000 0.238 -0.000) 0.238 6.379 ( 0.000 -3.332 0.000) 3.332======================= Grid point 18 (11/116) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 0.000 20.585 0.000) 20.585 0.943 ( 0.000 22.597 0.000) 22.597 1.608 ( 0.000 27.946 0.000) 27.946 1.762 ( 0.000 -3.621 0.000) 3.621 1.941 ( 0.000 -6.308 0.000) 6.308 2.037 ( 0.000 6.911 0.000) 6.911 2.096 ( 0.000 7.921 0.000) 7.921 2.213 ( 0.000 -0.017 0.000) 0.017 2.274 ( 0.000 -8.922 0.000) 8.922 2.301 ( 0.000 -1.275 0.000) 1.275 2.425 ( 0.000 -0.760 0.000) 0.760 2.442 ( 0.000 4.644 0.000) 4.644 2.564 ( 0.000 4.045 0.000) 4.045 2.658 ( 0.000 -0.814 0.000) 0.814 2.726 ( 0.000 -1.897 0.000) 1.897 2.888 ( 0.000 -2.068 0.000) 2.068 2.978 ( 0.000 -2.872 0.000) 2.872 3.118 ( 0.000 -1.963 0.000) 1.963 3.221 ( 0.000 -0.598 0.000) 0.598 3.239 ( 0.000 1.464 0.000) 1.464 3.275 ( 0.000 -1.294 0.000) 1.294 3.521 ( 0.000 -4.052 0.000) 4.052 3.524 ( 0.000 -9.865 0.000) 9.865 3.856 ( 0.000 -20.664 0.000) 20.664 4.244 ( 0.000 6.347 0.000) 6.347 4.327 ( 0.000 5.464 0.000) 5.464 4.410 ( 0.000 7.683 0.000) 7.683 4.502 ( 0.000 1.307 0.000) 1.307 4.508 ( 0.000 2.743 0.000) 2.743 4.673 ( 0.000 -8.152 0.000) 8.152 4.894 ( 0.000 0.693 0.000) 0.693 4.993 ( 0.000 1.935 0.000) 1.935 5.060 ( 0.000 1.201 0.000) 1.201 5.064 ( 0.000 -0.098 0.000) 0.098 5.242 ( 0.000 0.546 0.000) 0.546 5.251 ( 0.000 1.527 0.000) 1.527 5.364 ( 0.000 -2.213 0.000) 2.213 5.435 ( 0.000 -0.461 0.000) 0.461 5.514 ( 0.000 1.863 0.000) 1.863 5.636 ( 0.000 1.946 0.000) 1.946 5.656 ( 0.000 0.498 0.000) 0.498 5.725 ( 0.000 -1.278 0.000) 1.278 5.839 ( 0.000 1.850 0.000) 1.850 5.966 ( 0.000 -0.060 0.000) 0.060 5.979 ( 0.000 -1.346 0.000) 1.346 6.071 ( 0.000 -0.603 0.000) 0.603 6.148 ( 0.000 -0.171 0.000) 0.171 6.158 ( 0.000 0.213 0.000) 0.213======================= Grid point 19 (12/116) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 5.547 18.464 3.362) 19.570 0.976 ( 4.635 20.113 1.571) 20.700 1.655 ( 2.897 18.224 3.271) 18.741 1.782 ( 2.251 0.079 -0.608) 2.333 1.902 ( -5.068 -4.882 1.047) 7.115 2.003 ( -2.263 3.464 0.564) 4.176 2.133 ( 2.914 11.936 -1.815) 12.419 2.223 ( 0.637 1.356 1.421) 2.065 2.239 ( -2.182 -5.562 1.078) 6.071 2.308 ( 0.117 -2.906 -3.123) 4.268 2.426 ( 1.371 0.032 1.646) 2.143 2.466 ( 1.483 1.048 -2.352) 2.971 2.547 ( -2.167 2.839 0.812) 3.663 2.657 ( -0.080 -0.872 -0.041) 0.876 2.693 ( -1.876 -0.225 -1.820) 2.624 2.838 ( -4.634 -2.673 0.835) 5.415 2.980 ( -0.338 -1.359 -1.390) 1.974 3.072 ( -1.209 -3.284 -0.155) 3.503 3.220 ( 0.293 -1.457 -1.820) 2.350 3.232 ( -0.403 0.276 0.958) 1.076 3.360 ( 4.181 -1.522 1.418) 4.670 3.522 ( 0.022 -5.063 -1.476) 5.274 3.550 ( 2.705 -6.350 0.510) 6.921 3.868 ( 1.105 -17.362 0.235) 17.398 4.246 ( 0.105 6.422 0.579) 6.449 4.326 ( 0.001 4.757 1.265) 4.923 4.412 ( -2.147 5.975 -0.992) 6.426 4.454 ( 0.854 3.095 1.382) 3.496 4.568 ( 2.841 2.188 -2.806) 4.553 4.691 ( 1.628 -8.112 1.481) 8.405 4.903 ( 0.882 0.045 -1.291) 1.564 4.980 ( -2.267 1.287 0.104) 2.609 5.031 ( -0.987 2.964 0.026) 3.124 5.056 ( -1.738 0.286 1.241) 2.155 5.214 ( -2.496 1.406 -0.566) 2.920 5.257 ( 0.114 2.079 -1.798) 2.751 5.363 ( 0.318 -2.467 -0.271) 2.502 5.422 ( -0.838 -1.753 -0.983) 2.177 5.497 ( -1.613 2.178 -0.943) 2.870 5.655 ( 0.418 0.588 1.100) 1.315 5.665 ( 0.786 0.340 0.245) 0.891 5.700 ( -1.514 -1.057 -0.117) 1.850 5.855 ( 1.013 1.678 1.830) 2.681 5.931 ( -2.973 -0.315 3.863) 4.885 5.992 ( 0.523 -0.307 0.016) 0.607 6.044 ( -1.541 0.199 -0.786) 1.741 6.104 ( -2.226 1.713 -0.170) 2.813 6.206 ( 2.734 -2.456 -2.467) 4.427======================= Grid point 20 (13/116) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( 9.199 11.656 2.258) 15.019 1.136 ( 10.076 14.807 2.528) 18.087 1.671 ( -2.944 7.671 4.545) 9.390 1.744 ( -8.860 1.125 2.411) 9.250 1.847 ( 2.677 -1.577 1.927) 3.656 1.998 ( 2.085 0.851 -0.321) 2.275 2.087 ( -6.946 7.759 -3.267) 10.914 2.206 ( -1.130 -4.423 0.067) 4.565 2.277 ( -1.956 -2.792 0.329) 3.425 2.306 ( 4.489 5.312 -0.151) 6.956 2.429 ( -1.405 -2.551 -1.631) 3.338 2.491 ( -2.333 2.727 -1.911) 4.066 2.548 ( 7.243 4.431 -0.405) 8.501 2.647 ( -0.528 -0.804 -0.511) 1.089 2.697 ( 2.267 1.969 -0.551) 3.053 2.736 ( -5.228 -1.716 -0.496) 5.525 2.973 ( 0.363 -1.483 -0.261) 1.549 3.095 ( 2.708 -4.952 0.134) 5.645 3.193 ( -2.179 1.204 -0.902) 2.648 3.238 ( 0.026 -3.476 -0.441) 3.504 3.404 ( 0.785 -3.370 -0.455) 3.490 3.508 ( -0.977 -0.973 -1.427) 1.985 3.612 ( 2.509 -5.539 2.865) 6.722 3.891 ( 0.985 -8.146 -0.279) 8.211 4.246 ( -0.405 6.164 0.300) 6.184 4.337 ( 0.423 3.259 2.284) 4.002 4.364 ( -0.982 3.388 -1.182) 3.720 4.502 ( 2.506 4.256 -0.214) 4.944 4.600 ( 1.334 2.155 -2.766) 3.752 4.738 ( 2.761 -7.293 2.466) 8.178 4.906 ( -3.955 0.381 0.362) 3.990 4.914 ( -0.523 0.381 -1.853) 1.963 4.985 ( -3.461 0.138 1.260) 3.685 5.064 ( 1.460 3.872 1.478) 4.394 5.154 ( -2.870 1.639 -1.793) 3.760 5.246 ( -0.313 1.031 -2.269) 2.512 5.368 ( -0.471 -2.403 0.556) 2.511 5.412 ( -0.059 -2.469 -1.674) 2.983 5.461 ( -1.484 1.352 -1.592) 2.562 5.603 ( -4.070 -2.153 1.479) 4.836 5.681 ( 1.092 0.646 0.372) 1.322 5.725 ( 2.177 -0.163 0.989) 2.397 5.857 ( -1.505 1.324 1.098) 2.286 5.891 ( -1.560 -0.407 2.957) 3.368 6.000 ( 0.330 0.733 0.440) 0.917 6.035 ( 0.440 0.675 0.007) 0.805 6.061 ( -2.054 2.091 0.118) 2.934 6.249 ( 2.212 -4.032 -2.121) 5.065======================= Grid point 21 (14/116) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 11.756 3.862 0.070) 12.374 1.321 ( 7.536 10.692 1.592) 13.178 1.537 ( -7.955 6.635 1.905) 10.533 1.654 ( -3.196 1.431 3.728) 5.115 1.885 ( -4.050 5.727 0.639) 7.043 1.928 ( -2.373 -4.046 2.617) 5.371 2.052 ( 1.376 -0.090 -0.859) 1.624 2.162 ( -3.898 -6.621 -3.925) 8.628 2.233 ( 0.376 2.958 0.953) 3.130 2.386 ( 1.379 -0.567 1.813) 2.347 2.393 ( -0.350 0.412 -1.927) 2.001 2.453 ( -1.311 3.436 -2.365) 4.372 2.602 ( -0.625 1.115 -4.303) 4.488 2.624 ( -3.902 -0.230 2.672) 4.735 2.708 ( 2.510 0.811 2.554) 3.672 2.822 ( 10.898 4.560 -5.051) 12.848 2.990 ( 1.183 -0.670 0.543) 1.464 3.146 ( 1.265 -8.496 -0.529) 8.606 3.150 ( -2.032 0.191 0.002) 2.041 3.209 ( -2.562 -0.199 3.553) 4.385 3.396 ( -1.218 -3.296 -3.370) 4.869 3.505 ( 1.612 4.805 -1.695) 5.344 3.636 ( -0.840 -5.910 4.116) 7.251 3.898 ( -0.012 0.320 -0.693) 0.764 4.231 ( -0.841 5.104 -0.147) 5.175 4.332 ( -0.359 2.041 -0.282) 2.092 4.393 ( 2.519 3.735 2.145) 4.990 4.513 ( -1.290 3.314 -2.596) 4.403 4.626 ( 1.844 1.193 -0.828) 2.347 4.802 ( 2.886 -4.162 2.473) 5.636 4.826 ( -3.142 0.388 0.566) 3.216 4.898 ( -1.234 -2.181 -1.896) 3.142 4.929 ( -2.350 -2.389 1.104) 3.528 5.081 ( -0.136 4.529 0.724) 4.589 5.124 ( 0.212 2.348 0.205) 2.366 5.246 ( 0.187 -3.878 -2.563) 4.653 5.349 ( -0.648 0.595 -0.645) 1.091 5.399 ( -1.183 -3.177 0.213) 3.397 5.432 ( -1.366 -0.400 -1.219) 1.874 5.552 ( -1.232 -3.278 0.726) 3.576 5.711 ( 1.731 0.950 0.902) 2.171 5.760 ( 1.154 0.182 0.532) 1.284 5.823 ( -1.705 1.170 0.557) 2.142 5.870 ( -1.196 -0.813 1.092) 1.812 5.989 ( -1.495 3.131 -0.645) 3.529 6.043 ( 0.335 0.818 1.058) 1.378 6.051 ( 0.599 1.032 0.474) 1.284 6.280 ( 1.305 -5.030 -1.155) 5.323======================= Grid point 22 (15/116) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 0.000 8.339 0.000) 8.339 1.438 ( 0.000 8.671 0.000) 8.671 1.465 ( 0.000 -3.996 -0.000) 3.996 1.587 ( -0.000 4.057 0.000) 4.057 1.799 ( 0.000 7.851 0.000) 7.851 1.960 ( 0.000 -3.981 -0.000) 3.981 2.041 ( 0.000 -1.179 -0.000) 1.179 2.111 ( 0.000 -8.917 0.000) 8.917 2.257 ( 0.000 4.869 -0.000) 4.869 2.365 ( 0.000 -1.615 -0.000) 1.615 2.426 ( -0.000 4.161 -0.000) 4.161 2.427 ( 0.000 1.683 -0.000) 1.683 2.584 ( 0.000 -0.883 -0.000) 0.883 2.590 ( 0.000 2.047 0.000) 2.047 2.735 ( 0.000 -1.102 -0.000) 1.102 2.959 ( 0.000 0.776 0.000) 0.776 3.043 ( -0.000 6.945 0.000) 6.945 3.070 ( 0.000 -9.268 -0.000) 9.268 3.136 ( 0.000 -2.306 -0.000) 2.306 3.210 ( 0.000 -0.683 -0.000) 0.683 3.371 ( 0.000 -1.508 0.000) 1.508 3.535 ( -0.000 8.917 -0.000) 8.917 3.619 ( 0.000 -7.507 -0.000) 7.507 3.896 ( 0.000 2.257 0.000) 2.257 4.223 ( 0.000 4.943 0.000) 4.943 4.328 ( 0.000 1.623 -0.000) 1.623 4.437 ( 0.000 7.104 0.000) 7.104 4.477 ( -0.000 -0.831 -0.000) 0.831 4.647 ( 0.000 1.237 0.000) 1.237 4.790 ( 0.000 1.484 0.000) 1.484 4.850 ( -0.000 -3.824 -0.000) 3.824 4.873 ( 0.000 -3.972 0.000) 3.972 4.906 ( 0.000 -3.281 -0.000) 3.281 5.078 ( -0.000 4.342 0.000) 4.342 5.136 ( 0.000 3.050 0.000) 3.050 5.234 ( 0.000 -6.542 0.000) 6.542 5.357 ( -0.000 4.901 0.000) 4.901 5.375 ( 0.000 -5.697 -0.000) 5.697 5.415 ( 0.000 -2.298 -0.000) 2.298 5.545 ( 0.000 -3.044 -0.000) 3.044 5.734 ( 0.000 0.924 0.000) 0.924 5.770 ( 0.000 0.375 0.000) 0.375 5.807 ( 0.000 1.312 -0.000) 1.312 5.857 ( 0.000 -0.980 -0.000) 0.980 5.969 ( 0.000 3.957 0.000) 3.957 6.050 ( 0.000 0.441 -0.000) 0.441 6.058 ( 0.000 1.183 -0.000) 1.183 6.292 ( 0.000 -5.377 -0.000) 5.377======================= Grid point 27 (16/116) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 0.000 17.815 0.000) 17.815 1.357 ( 0.000 19.752 0.000) 19.752 1.542 ( 0.000 -13.362 0.000) 13.362 1.702 ( 0.000 -15.155 0.000) 15.155 1.984 ( 0.000 8.301 0.000) 8.301 2.117 ( 0.000 -4.776 0.000) 4.776 2.150 ( 0.000 0.725 0.000) 0.725 2.168 ( 0.000 -1.818 0.000) 1.818 2.312 ( 0.000 3.071 0.000) 3.071 2.367 ( 0.000 2.914 0.000) 2.914 2.511 ( 0.000 7.133 0.000) 7.133 2.596 ( 0.000 11.981 0.000) 11.981 2.638 ( 0.000 5.043 0.000) 5.043 2.648 ( 0.000 3.959 0.000) 3.959 2.707 ( 0.000 0.031 0.000) 0.031 2.858 ( 0.000 -1.215 0.000) 1.215 2.955 ( 0.000 0.686 0.000) 0.686 3.019 ( 0.000 -1.728 0.000) 1.728 3.071 ( 0.000 -10.056 0.000) 10.056 3.240 ( 0.000 -18.858 0.000) 18.858 3.320 ( 0.000 3.809 0.000) 3.809 3.341 ( 0.000 0.823 0.000) 0.823 3.471 ( 0.000 -0.830 0.000) 0.830 3.531 ( 0.000 -8.760 0.000) 8.760 4.360 ( 0.000 6.241 0.000) 6.241 4.452 ( 0.000 5.867 0.000) 5.867 4.479 ( 0.000 -3.513 0.000) 3.513 4.518 ( 0.000 0.135 0.000) 0.135 4.538 ( 0.000 0.372 0.000) 0.372 4.541 ( 0.000 -2.890 0.000) 2.890 4.947 ( 0.000 4.637 0.000) 4.637 5.014 ( 0.000 -0.249 0.000) 0.249 5.053 ( 0.000 -0.758 0.000) 0.758 5.059 ( 0.000 -1.782 0.000) 1.782 5.238 ( 0.000 0.005 0.000) 0.005 5.254 ( 0.000 -0.879 0.000) 0.879 5.361 ( 0.000 1.906 0.000) 1.906 5.407 ( 0.000 -2.220 0.000) 2.220 5.566 ( 0.000 3.381 0.000) 3.381 5.636 ( 0.000 -2.798 0.000) 2.798 5.669 ( 0.000 0.644 0.000) 0.644 5.682 ( 0.000 -1.211 0.000) 1.211 5.902 ( 0.000 3.155 0.000) 3.155 5.948 ( 0.000 -1.813 0.000) 1.813 5.991 ( 0.000 2.546 0.000) 2.546 6.044 ( 0.000 -2.254 0.000) 2.254 6.148 ( 0.000 0.182 0.000) 0.182 6.155 ( 0.000 -0.410 0.000) 0.410======================= Grid point 28 (17/116) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 3.223 16.957 2.373) 17.423 1.355 ( 0.358 18.348 1.386) 18.404 1.568 ( 2.467 -12.754 1.871) 13.124 1.680 ( -2.572 -14.652 1.280) 14.931 1.954 ( -2.886 7.991 1.832) 8.691 2.096 ( -1.900 -6.834 -0.284) 7.099 2.157 ( 0.506 5.771 -1.736) 6.048 2.202 ( 2.277 -1.180 2.413) 3.522 2.292 ( -1.662 1.290 0.857) 2.272 2.359 ( -0.737 -0.493 -2.168) 2.342 2.478 ( -3.388 7.432 -0.948) 8.223 2.590 ( -2.251 1.613 -0.614) 2.837 2.632 ( -0.676 -0.367 -1.490) 1.677 2.661 ( 1.851 11.058 1.560) 11.320 2.700 ( 1.274 4.532 -5.312) 7.098 2.803 ( -3.554 -0.334 1.425) 3.844 2.926 ( -3.071 -2.178 -2.383) 4.455 3.027 ( 1.528 2.457 -0.192) 2.900 3.104 ( 2.930 -8.047 -1.764) 8.743 3.246 ( 0.753 -13.785 1.252) 13.862 3.305 ( -0.437 3.364 1.629) 3.763 3.384 ( 1.522 -4.457 2.886) 5.523 3.520 ( 4.846 0.628 -0.489) 4.910 3.584 ( 5.276 -7.862 -0.848) 9.507 4.365 ( 0.457 5.913 0.799) 5.984 4.411 ( -2.514 2.645 0.245) 3.658 4.464 ( -2.594 1.172 0.295) 2.862 4.527 ( 2.256 -3.889 1.452) 4.725 4.556 ( 1.830 0.772 -0.919) 2.189 4.592 ( 3.244 -0.377 -1.122) 3.454 4.940 ( -0.822 3.646 -1.173) 3.917 4.998 ( -1.815 -0.535 0.021) 1.892 5.032 ( -1.848 -0.073 -0.006) 1.850 5.064 ( 0.898 -1.258 0.070) 1.547 5.241 ( -1.176 0.941 -0.734) 1.676 5.255 ( -0.254 -0.926 -0.150) 0.972 5.349 ( -0.159 1.166 -0.971) 1.525 5.385 ( -1.278 -2.075 -1.238) 2.733 5.548 ( -2.051 3.214 -0.572) 3.855 5.619 ( -2.295 -3.643 -0.504) 4.335 5.675 ( 0.718 0.587 0.131) 0.936 5.685 ( 0.722 -0.415 0.471) 0.957 5.900 ( -0.900 2.045 4.315) 4.859 5.924 ( -2.505 -0.599 4.409) 5.106 6.001 ( 0.988 1.419 -1.791) 2.490 6.033 ( -0.421 -1.332 -1.529) 2.071 6.133 ( -1.035 1.412 -0.436) 1.804 6.165 ( 0.697 -1.864 -1.246) 2.348======================= Grid point 29 (18/116) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 1.904 14.303 2.290) 14.610 1.424 ( 6.151 14.030 2.268) 15.487 1.598 ( -3.218 -12.707 2.280) 13.305 1.659 ( 3.835 -9.293 2.709) 10.411 1.876 ( -6.139 7.229 3.741) 10.196 2.033 ( -5.368 -8.245 2.397) 10.126 2.146 ( -1.604 8.454 -3.235) 9.193 2.221 ( -1.847 1.130 -1.449) 2.605 2.265 ( -0.579 0.905 0.866) 1.380 2.352 ( 0.869 -5.214 -2.034) 5.664 2.414 ( -0.977 7.913 -2.731) 8.427 2.535 ( -2.325 -0.093 -1.125) 2.585 2.615 ( -0.833 -1.095 -2.031) 2.453 2.661 ( -0.362 -3.130 -0.179) 3.156 2.713 ( -2.452 4.880 0.515) 5.486 2.800 ( 3.098 1.003 -2.521) 4.118 2.895 ( 1.193 3.591 -1.531) 4.082 3.040 ( 0.291 -2.259 -1.629) 2.800 3.168 ( 3.477 -0.264 -1.341) 3.736 3.257 ( -0.644 -1.096 4.613) 4.785 3.318 ( 1.577 -1.855 -2.439) 3.446 3.408 ( 0.948 -6.563 2.440) 7.066 3.611 ( 4.236 3.066 1.033) 5.330 3.713 ( 7.487 -7.911 0.346) 10.898 4.351 ( -2.392 3.802 -0.080) 4.493 4.391 ( -0.645 -0.055 0.115) 0.658 4.426 ( -0.154 6.002 0.694) 6.044 4.566 ( 1.116 -6.709 0.870) 6.856 4.606 ( 3.396 3.732 -0.170) 5.049 4.649 ( 3.043 -0.393 -0.890) 3.194 4.901 ( -3.024 1.140 -1.470) 3.551 4.944 ( -3.806 -2.407 -0.098) 4.505 4.995 ( -1.888 5.119 -0.855) 5.523 5.094 ( 1.923 -2.734 0.382) 3.364 5.188 ( -2.829 1.604 -0.673) 3.321 5.215 ( -3.434 -1.822 -0.053) 3.888 5.362 ( 0.791 0.895 -1.147) 1.656 5.378 ( 0.276 -0.933 -1.782) 2.031 5.489 ( -3.319 1.889 -0.370) 3.837 5.543 ( -4.754 -3.485 0.529) 5.918 5.698 ( 1.643 1.056 0.343) 1.983 5.717 ( 2.097 -0.798 0.843) 2.397 5.878 ( -2.160 0.668 2.427) 3.317 5.885 ( -2.051 -0.244 3.053) 3.686 6.020 ( 1.214 1.159 0.006) 1.678 6.037 ( 0.863 -0.416 -0.100) 0.963 6.109 ( -1.306 2.862 -0.579) 3.199 6.173 ( 0.485 -3.664 -1.372) 3.942======================= Grid point 30 (19/116) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 4.146 7.715 0.217) 8.761 1.535 ( 1.701 2.985 0.056) 3.436 1.551 ( 1.075 2.031 2.743) 3.578 1.744 ( -5.324 -2.298 3.075) 6.564 1.768 ( 3.140 0.766 3.799) 4.988 1.921 ( -4.637 -6.350 4.373) 8.997 2.081 ( -4.156 3.970 -1.547) 5.952 2.126 ( -5.778 1.080 -5.982) 8.386 2.293 ( 2.182 2.821 -0.183) 3.571 2.346 ( -0.758 -2.016 -2.173) 3.060 2.452 ( 3.576 4.658 -0.307) 5.881 2.514 ( 0.090 0.577 -0.200) 0.617 2.590 ( -1.307 0.331 -1.284) 1.862 2.658 ( -1.083 -1.761 0.220) 2.079 2.666 ( -0.925 1.493 -0.462) 1.816 2.824 ( 0.405 -10.759 -0.722) 10.791 2.953 ( 3.736 5.532 -3.135) 7.374 3.042 ( 0.353 -3.256 -2.050) 3.864 3.212 ( 0.935 3.556 0.948) 3.797 3.244 ( -1.373 2.823 4.435) 5.433 3.336 ( 0.773 -0.818 -2.896) 3.107 3.439 ( 1.655 -7.781 0.828) 7.998 3.697 ( 4.352 8.070 1.909) 9.365 3.846 ( 5.505 -5.999 0.783) 8.179 4.303 ( -2.145 2.750 0.094) 3.489 4.347 ( -2.630 -0.987 -1.908) 3.396 4.463 ( 2.208 5.328 2.257) 6.193 4.562 ( -1.498 -1.908 -1.546) 2.877 4.670 ( 2.783 2.548 0.189) 3.778 4.715 ( 3.842 -2.090 0.821) 4.450 4.833 ( -3.193 -0.409 -1.529) 3.563 4.868 ( -3.328 -3.323 0.288) 4.712 4.947 ( -2.819 7.175 -1.255) 7.810 5.107 ( -1.654 -7.987 -0.517) 8.172 5.164 ( -0.019 2.266 -0.115) 2.269 5.178 ( 1.212 2.073 2.227) 3.275 5.324 ( -3.611 -0.238 -2.155) 4.212 5.372 ( -1.656 -2.785 -0.775) 3.332 5.442 ( -1.139 2.146 0.161) 2.435 5.491 ( -0.369 -2.795 0.184) 2.825 5.734 ( 1.738 1.304 0.642) 2.266 5.756 ( 1.460 -0.765 0.651) 1.772 5.842 ( -1.556 0.789 0.718) 1.887 5.856 ( -1.427 -0.652 0.969) 1.844 6.043 ( 0.875 1.420 0.292) 1.693 6.054 ( 0.579 -0.021 0.637) 0.861 6.085 ( -0.852 3.724 -0.232) 3.828 6.178 ( 0.242 -5.245 -0.869) 5.322======================= Grid point 31 (20/116) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 0.000 3.759 0.000) 3.759 1.555 ( -0.000 -4.113 0.000) 4.113 1.581 ( 0.000 6.835 -0.000) 6.835 1.637 ( 0.000 6.710 -0.000) 6.710 1.827 ( 0.000 -2.432 -0.000) 2.432 1.928 ( 0.000 -9.361 -0.000) 9.361 2.004 ( 0.000 6.041 0.000) 6.041 2.045 ( 0.000 0.949 0.000) 0.949 2.325 ( -0.000 -0.799 -0.000) 0.799 2.326 ( 0.000 1.214 0.000) 1.214 2.497 ( 0.000 3.833 -0.000) 3.833 2.518 ( 0.000 2.319 0.000) 2.319 2.572 ( 0.000 1.471 -0.000) 1.471 2.634 ( 0.000 4.385 0.000) 4.385 2.667 ( 0.000 -4.712 -0.000) 4.712 2.827 ( 0.000 -12.767 0.000) 12.767 2.990 ( 0.000 2.226 0.000) 2.226 3.043 ( -0.000 -3.008 0.000) 3.008 3.217 ( 0.000 5.698 -0.000) 5.698 3.234 ( 0.000 1.668 -0.000) 1.668 3.340 ( 0.000 0.622 0.000) 0.622 3.458 ( 0.000 -8.671 0.000) 8.671 3.752 ( 0.000 11.075 -0.000) 11.075 3.902 ( 0.000 -3.246 0.000) 3.246 4.286 ( 0.000 1.359 -0.000) 1.359 4.308 ( 0.000 -1.818 0.000) 1.818 4.497 ( 0.000 2.708 0.000) 2.708 4.529 ( -0.000 1.354 -0.000) 1.354 4.701 ( 0.000 3.273 0.000) 3.273 4.779 ( -0.000 0.605 -0.000) 0.605 4.781 ( 0.000 -4.890 0.000) 4.890 4.836 ( 0.000 -3.837 -0.000) 3.837 4.909 ( 0.000 7.592 0.000) 7.592 5.078 ( 0.000 -8.973 -0.000) 8.973 5.169 ( 0.000 4.542 0.000) 4.542 5.222 ( 0.000 5.974 0.000) 5.974 5.263 ( 0.000 -5.342 -0.000) 5.342 5.341 ( 0.000 -5.420 0.000) 5.420 5.439 ( 0.000 3.385 0.000) 3.385 5.493 ( 0.000 -2.423 -0.000) 2.423 5.754 ( 0.000 1.037 -0.000) 1.037 5.770 ( -0.000 -0.435 0.000) 0.435 5.828 ( 0.000 0.804 0.000) 0.804 5.841 ( 0.000 -0.675 -0.000) 0.675 6.051 ( 0.000 2.790 -0.000) 2.790 6.058 ( 0.000 0.363 -0.000) 0.363 6.079 ( 0.000 2.635 0.000) 2.635 6.179 ( 0.000 -5.909 -0.000) 5.909======================= Grid point 63 (21/116) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.417 ( 2.049 0.000 20.171) 20.275 0.461 ( -0.331 0.000 22.155) 22.157 0.817 ( 1.234 0.000 38.837) 38.857 1.817 ( -5.024 0.000 -3.086) 5.896 1.902 ( -0.460 0.000 -1.031) 1.129 1.910 ( 4.903 0.000 3.193) 5.852 2.156 ( -3.777 0.000 -5.279) 6.491 2.208 ( 1.130 0.000 0.933) 1.466 2.388 ( 4.511 0.000 2.719) 5.267 2.394 ( 1.060 0.000 -1.548) 1.876 2.480 ( 0.832 0.000 4.831) 4.903 2.586 ( 0.236 0.000 -0.636) 0.678 2.618 ( 1.350 0.000 -3.933) 4.158 2.717 ( -0.033 0.000 -3.728) 3.728 2.754 ( 0.602 0.000 2.626) 2.695 2.800 ( -0.524 0.000 0.668) 0.848 3.003 ( 1.279 0.000 0.403) 1.341 3.026 ( -0.886 0.000 1.881) 2.079 3.055 ( 2.516 0.000 1.918) 3.163 3.237 ( -1.206 0.000 -4.351) 4.515 3.451 ( -2.959 0.000 1.799) 3.463 3.634 ( 2.988 0.000 -3.447) 4.562 3.822 ( -1.789 0.000 -5.733) 6.005 4.037 ( -1.371 0.000 -0.880) 1.629 4.130 ( 0.686 0.000 2.427) 2.522 4.215 ( -0.728 0.000 0.421) 0.841 4.327 ( 7.706 0.000 -3.895) 8.635 4.479 ( -8.709 0.000 4.133) 9.640 4.642 ( -0.292 0.000 -1.922) 1.944 4.677 ( -0.482 0.000 4.958) 4.981 4.884 ( 3.603 0.000 -3.453) 4.990 4.944 ( -1.298 0.000 -0.469) 1.380 4.952 ( 1.104 0.000 -1.189) 1.623 5.034 ( -1.395 0.000 0.704) 1.563 5.119 ( -1.804 0.000 1.335) 2.244 5.287 ( -4.413 0.000 -1.559) 4.680 5.375 ( -4.128 0.000 -1.701) 4.464 5.426 ( 1.884 0.000 0.796) 2.045 5.479 ( -2.893 0.000 2.624) 3.906 5.657 ( 0.555 0.000 0.124) 0.568 5.668 ( 3.533 0.000 -1.918) 4.020 5.705 ( -2.207 0.000 1.350) 2.587 5.821 ( 12.606 0.000 -0.131) 12.607 5.852 ( -0.282 0.000 -0.881) 0.925 6.009 ( 0.669 0.000 -0.450) 0.806 6.041 ( 1.070 0.000 2.144) 2.396 6.060 ( -0.311 0.000 -1.173) 1.214 6.169 ( -6.827 0.000 0.970) 6.896======================= Grid point 64 (22/116) =======================q-point: ( 0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( 11.531 0.000 14.140) 18.246 0.667 ( 14.457 0.000 15.758) 21.385 1.129 ( 19.881 0.000 30.169) 36.130 1.675 ( -8.544 0.000 -3.376) 9.187 1.903 ( -0.034 0.000 -0.065) 0.073 1.969 ( 0.333 0.000 2.221) 2.246 2.067 ( -3.557 0.000 -4.748) 5.933 2.220 ( 0.138 0.000 3.568) 3.570 2.371 ( -2.799 0.000 3.211) 4.260 2.396 ( -0.342 0.000 -1.005) 1.062 2.481 ( -1.313 0.000 0.695) 1.486 2.544 ( -4.894 0.000 -2.010) 5.290 2.668 ( 3.077 0.000 -0.082) 3.078 2.697 ( -5.925 0.000 6.187) 8.567 2.734 ( 2.432 0.000 -2.869) 3.761 2.837 ( 3.022 0.000 -1.818) 3.527 2.974 ( -4.057 0.000 1.932) 4.493 3.071 ( 0.354 0.000 -0.287) 0.456 3.124 ( 5.216 0.000 -2.356) 5.723 3.210 ( -1.336 0.000 -4.405) 4.604 3.430 ( 1.101 0.000 -0.811) 1.368 3.634 ( -2.552 0.000 -1.333) 2.879 3.802 ( 1.342 0.000 -7.274) 7.397 3.984 ( -3.679 0.000 -2.936) 4.707 4.149 ( 0.874 0.000 1.855) 2.050 4.200 ( -0.725 0.000 -0.309) 0.788 4.326 ( -7.424 0.000 7.197) 10.340 4.455 ( 6.242 0.000 -3.387) 7.102 4.657 ( 2.374 0.000 -2.666) 3.570 4.664 ( -1.137 0.000 7.212) 7.301 4.940 ( -3.378 0.000 2.728) 4.342 4.958 ( 3.713 0.000 -3.109) 4.843 4.974 ( 1.968 0.000 0.153) 1.974 4.985 ( 0.979 0.000 -1.034) 1.423 5.084 ( -1.949 0.000 0.833) 2.119 5.185 ( -4.748 0.000 -1.403) 4.951 5.323 ( -1.067 0.000 -0.482) 1.171 5.458 ( 0.310 0.000 -0.980) 1.028 5.485 ( 1.089 0.000 4.348) 4.482 5.652 ( -1.322 0.000 -0.214) 1.339 5.672 ( 0.983 0.000 0.562) 1.132 5.751 ( 2.863 0.000 0.516) 2.909 5.849 ( 0.517 0.000 -1.011) 1.136 5.920 ( -1.035 0.000 0.288) 1.074 6.015 ( 0.037 0.000 0.151) 0.155 6.046 ( -1.798 0.000 -0.773) 1.957 6.054 ( -0.124 0.000 2.715) 2.718 6.159 ( 5.087 0.000 -4.900) 7.064======================= Grid point 65 (23/116) =======================q-point: ( 0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 15.540 0.000 7.532) 17.269 0.989 ( 14.968 0.000 9.776) 17.878 1.494 ( -9.106 0.000 -2.601) 9.470 1.596 ( 21.670 0.000 20.026) 29.507 1.854 ( -5.520 0.000 3.312) 6.437 1.932 ( -4.183 0.000 1.216) 4.356 2.041 ( 1.925 0.000 -6.517) 6.796 2.237 ( 0.361 0.000 5.491) 5.503 2.334 ( -1.688 0.000 4.067) 4.403 2.380 ( -1.432 0.000 0.850) 1.666 2.410 ( -6.566 0.000 -2.811) 7.143 2.448 ( -1.676 0.000 -3.095) 3.519 2.593 ( -6.311 0.000 5.771) 8.552 2.727 ( 2.569 0.000 2.750) 3.763 2.785 ( 2.737 0.000 -1.237) 3.004 2.819 ( -5.894 0.000 -0.914) 5.965 2.932 ( 1.096 0.000 1.337) 1.728 3.074 ( 1.264 0.000 -2.653) 2.939 3.178 ( -0.482 0.000 -4.164) 4.191 3.189 ( 1.824 0.000 -2.432) 3.040 3.468 ( 2.431 0.000 -1.460) 2.836 3.530 ( -7.844 0.000 -0.803) 7.885 3.837 ( 3.399 0.000 -7.286) 8.040 3.887 ( -5.404 0.000 -3.502) 6.440 4.167 ( -0.031 0.000 0.174) 0.177 4.188 ( -0.442 0.000 -0.078) 0.449 4.232 ( -3.602 0.000 8.766) 9.477 4.543 ( 3.402 0.000 -2.093) 3.994 4.673 ( 0.526 0.000 6.770) 6.790 4.717 ( 4.369 0.000 -3.872) 5.838 4.865 ( -3.711 0.000 1.834) 4.139 4.971 ( -0.202 0.000 -3.176) 3.182 5.024 ( 1.589 0.000 0.968) 1.860 5.042 ( 1.017 0.000 -0.365) 1.081 5.067 ( 2.536 0.000 0.900) 2.691 5.111 ( -2.770 0.000 -0.628) 2.841 5.314 ( 0.729 0.000 -2.900) 2.990 5.433 ( -2.039 0.000 -1.490) 2.526 5.513 ( 0.492 0.000 3.715) 3.747 5.638 ( -0.296 0.000 -0.089) 0.309 5.696 ( 1.237 0.000 0.985) 1.581 5.781 ( 0.267 0.000 0.301) 0.403 5.870 ( 1.468 0.000 -1.189) 1.889 5.884 ( -2.246 0.000 1.883) 2.931 5.991 ( -3.469 0.000 0.019) 3.470 6.010 ( -0.788 0.000 0.832) 1.146 6.053 ( -0.339 0.000 2.248) 2.273 6.252 ( 5.200 0.000 -6.597) 8.400======================= Grid point 66 (24/116) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 13.721 0.000 4.759) 14.523 1.228 ( 5.653 0.000 4.792) 7.411 1.346 ( -4.007 0.000 1.431) 4.254 1.708 ( -7.932 0.000 3.814) 8.802 1.847 ( -3.433 0.000 -0.435) 3.460 2.002 ( 9.793 0.000 6.234) 11.609 2.080 ( 6.505 0.000 1.817) 6.754 2.213 ( -3.124 0.000 -2.723) 4.144 2.314 ( -5.272 0.000 5.497) 7.616 2.338 ( 1.845 0.000 2.769) 3.327 2.384 ( 2.310 0.000 7.030) 7.400 2.417 ( -0.030 0.000 -4.482) 4.482 2.494 ( -3.638 0.000 1.334) 3.875 2.697 ( -5.633 0.000 1.052) 5.731 2.761 ( -0.354 0.000 3.129) 3.149 2.811 ( -0.581 0.000 2.356) 2.427 2.952 ( 0.328 0.000 -1.826) 1.855 3.111 ( 0.396 0.000 -8.853) 8.862 3.183 ( 0.504 0.000 0.691) 0.856 3.185 ( 1.885 0.000 -2.530) 3.155 3.374 ( -6.077 0.000 -1.812) 6.341 3.507 ( 1.800 0.000 -1.126) 2.123 3.779 ( -4.763 0.000 -1.934) 5.141 3.885 ( 2.779 0.000 -6.056) 6.663 4.128 ( -2.942 0.000 1.028) 3.117 4.185 ( 0.068 0.000 0.862) 0.865 4.236 ( 0.961 0.000 7.526) 7.587 4.580 ( 0.820 0.000 0.184) 0.840 4.689 ( -0.852 0.000 3.691) 3.789 4.796 ( 4.377 0.000 -4.837) 6.524 4.819 ( -1.072 0.000 1.900) 2.182 4.953 ( -0.780 0.000 -3.415) 3.503 5.026 ( -1.360 0.000 -1.330) 1.902 5.039 ( -0.098 0.000 0.991) 0.996 5.070 ( -1.478 0.000 -1.175) 1.889 5.146 ( 3.815 0.000 1.194) 3.997 5.345 ( 2.988 0.000 -3.305) 4.455 5.396 ( -1.222 0.000 -0.373) 1.277 5.513 ( -1.007 0.000 2.270) 2.483 5.637 ( 0.139 0.000 0.096) 0.168 5.716 ( 0.318 0.000 0.718) 0.785 5.776 ( -0.552 0.000 0.343) 0.650 5.851 ( -1.281 0.000 1.721) 2.145 5.883 ( -0.033 0.000 -1.486) 1.487 5.924 ( -3.171 0.000 0.371) 3.193 5.993 ( -0.968 0.000 0.820) 1.268 6.051 ( -0.352 0.000 0.981) 1.042 6.326 ( 3.682 0.000 -5.361) 6.504======================= Grid point 67 (25/116) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( -1.842 0.000 0.906) 2.053 1.325 ( -3.826 0.000 2.414) 4.524 1.361 ( -0.583 0.000 4.297) 4.336 1.642 ( 4.028 0.000 7.726) 8.713 1.829 ( 1.381 0.000 -1.430) 1.988 1.950 ( -7.850 0.000 -3.756) 8.702 2.135 ( -5.131 0.000 -2.166) 5.570 2.228 ( -2.401 0.000 5.753) 6.234 2.284 ( 5.579 0.000 8.354) 10.046 2.358 ( 0.209 0.000 -1.272) 1.289 2.452 ( 1.783 0.000 4.048) 4.423 2.508 ( 8.827 0.000 -1.790) 9.007 2.514 ( 5.875 0.000 5.326) 7.929 2.622 ( -2.384 0.000 1.406) 2.767 2.660 ( -12.462 0.000 2.479) 12.706 2.783 ( -1.005 0.000 0.950) 1.383 2.936 ( -1.336 0.000 -3.478) 3.726 3.042 ( -1.166 0.000 -4.043) 4.208 3.228 ( 2.553 0.000 -0.900) 2.707 3.248 ( 1.143 0.000 -2.974) 3.186 3.336 ( 3.772 0.000 -2.462) 4.505 3.531 ( 0.963 0.000 -0.309) 1.012 3.719 ( -0.471 0.000 -1.564) 1.634 3.915 ( 1.456 0.000 -4.599) 4.824 4.081 ( -2.136 0.000 1.302) 2.502 4.194 ( 0.598 0.000 1.691) 1.794 4.275 ( 1.224 0.000 7.761) 7.857 4.566 ( -2.601 0.000 0.635) 2.677 4.671 ( -0.179 0.000 0.693) 0.716 4.823 ( 0.254 0.000 2.559) 2.572 4.848 ( 1.568 0.000 -5.404) 5.627 4.928 ( -1.147 0.000 -3.995) 4.156 4.992 ( -1.745 0.000 -2.361) 2.936 5.029 ( -0.929 0.000 0.185) 0.947 5.050 ( 0.018 0.000 -1.398) 1.399 5.205 ( 1.804 0.000 2.048) 2.730 5.394 ( 1.026 0.000 0.541) 1.160 5.403 ( 3.282 0.000 -1.562) 3.635 5.490 ( -1.507 0.000 0.932) 1.772 5.640 ( -0.103 0.000 0.716) 0.723 5.697 ( -2.238 0.000 -0.812) 2.381 5.774 ( 0.496 0.000 0.679) 0.841 5.838 ( -1.132 0.000 1.810) 2.135 5.869 ( -0.724 0.000 -1.807) 1.946 5.893 ( 0.548 0.000 0.536) 0.767 5.979 ( -0.572 0.000 -0.262) 0.630 6.037 ( -1.300 0.000 -0.175) 1.312 6.370 ( 1.917 0.000 -3.982) 4.420======================= Grid point 68 (26/116) =======================q-point: (-0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -15.061 0.000 3.507) 15.464 1.166 ( -7.216 0.000 2.852) 7.759 1.365 ( 4.571 0.000 1.261) 4.742 1.718 ( -16.417 0.000 2.543) 16.613 1.816 ( 8.981 0.000 7.971) 12.008 1.858 ( 1.132 0.000 0.252) 1.160 2.057 ( -1.102 0.000 -0.595) 1.252 2.242 ( 1.848 0.000 1.967) 2.699 2.282 ( -5.062 0.000 -0.264) 5.068 2.389 ( -10.455 0.000 -0.748) 10.481 2.422 ( 2.854 0.000 5.596) 6.282 2.509 ( 2.913 0.000 1.936) 3.498 2.616 ( 1.755 0.000 3.002) 3.477 2.624 ( 2.481 0.000 -1.770) 3.048 2.660 ( 7.068 0.000 5.720) 9.093 2.796 ( 1.998 0.000 0.003) 1.998 2.892 ( -2.278 0.000 -3.730) 4.371 3.015 ( -2.370 0.000 -5.765) 6.234 3.269 ( 1.776 0.000 -0.580) 1.868 3.275 ( 4.505 0.000 -2.638) 5.220 3.403 ( 1.284 0.000 -1.273) 1.808 3.542 ( 0.068 0.000 1.061) 1.063 3.780 ( 7.535 0.000 -4.180) 8.616 3.923 ( 0.316 0.000 -3.331) 3.346 4.052 ( -1.199 0.000 1.476) 1.902 4.211 ( 0.694 0.000 1.928) 2.049 4.291 ( -1.976 0.000 6.680) 6.966 4.524 ( -0.536 0.000 1.611) 1.697 4.686 ( 0.967 0.000 0.288) 1.009 4.827 ( -2.456 0.000 -4.446) 5.079 4.828 ( 0.053 0.000 2.754) 2.755 4.888 ( -1.756 0.000 -5.835) 6.093 4.957 ( -1.063 0.000 -3.003) 3.186 5.012 ( -0.745 0.000 0.247) 0.785 5.077 ( 2.767 0.000 -0.375) 2.793 5.222 ( -0.425 0.000 3.608) 3.633 5.433 ( 2.867 0.000 0.010) 2.867 5.438 ( -0.803 0.000 -0.402) 0.898 5.477 ( 1.110 0.000 1.150) 1.598 5.626 ( -1.810 0.000 1.062) 2.099 5.644 ( -2.484 0.000 -1.607) 2.958 5.800 ( 1.797 0.000 1.164) 2.141 5.813 ( -1.498 0.000 0.453) 1.565 5.857 ( -0.127 0.000 -2.272) 2.275 5.936 ( 3.099 0.000 0.648) 3.166 5.970 ( -0.070 0.000 -1.067) 1.069 6.003 ( -1.914 0.000 -0.968) 2.145 6.383 ( 0.248 0.000 -2.824) 2.835======================= Grid point 69 (27/116) =======================q-point: (-0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( -17.735 0.000 4.621) 18.327 0.929 ( -16.745 0.000 7.684) 18.424 1.345 ( -23.022 0.000 14.031) 26.961 1.545 ( 11.869 0.000 -0.505) 11.880 1.876 ( 0.958 0.000 -0.046) 0.959 1.958 ( 2.737 0.000 5.482) 6.127 2.089 ( 3.649 0.000 -0.922) 3.764 2.146 ( -4.413 0.000 3.862) 5.864 2.285 ( -2.306 0.000 -5.703) 6.152 2.290 ( 2.909 0.000 0.406) 2.938 2.474 ( 0.601 0.000 6.775) 6.801 2.545 ( 0.982 0.000 0.361) 1.046 2.638 ( 0.287 0.000 -2.773) 2.787 2.693 ( 3.537 0.000 7.215) 8.035 2.790 ( 4.867 0.000 -0.373) 4.881 2.811 ( -1.527 0.000 -1.669) 2.262 2.847 ( -0.329 0.000 -2.130) 2.155 2.961 ( -0.253 0.000 -4.148) 4.155 3.290 ( 0.531 0.000 -1.320) 1.423 3.337 ( -2.882 0.000 -1.632) 3.312 3.424 ( 6.056 0.000 -6.738) 9.060 3.536 ( -1.228 0.000 2.498) 2.783 3.913 ( -0.854 0.000 -2.608) 2.745 3.949 ( 9.135 0.000 -4.642) 10.247 4.049 ( 1.420 0.000 1.505) 2.069 4.224 ( 0.149 0.000 1.658) 1.665 4.227 ( -4.813 0.000 3.286) 5.828 4.557 ( 2.326 0.000 5.105) 5.610 4.681 ( -2.124 0.000 2.212) 3.067 4.751 ( -4.102 0.000 -2.952) 5.053 4.850 ( -0.678 0.000 -6.162) 6.199 4.868 ( 4.092 0.000 1.431) 4.335 4.939 ( -0.142 0.000 -3.269) 3.272 5.007 ( 0.091 0.000 1.149) 1.153 5.134 ( 2.373 0.000 -0.070) 2.374 5.224 ( 0.624 0.000 4.615) 4.657 5.397 ( -2.344 0.000 -0.633) 2.428 5.497 ( 3.440 0.000 -0.056) 3.441 5.514 ( 1.710 0.000 4.047) 4.393 5.571 ( -3.720 0.000 -0.169) 3.724 5.607 ( -1.031 0.000 -1.962) 2.216 5.779 ( -2.227 0.000 -1.038) 2.457 5.826 ( -0.324 0.000 -2.621) 2.641 5.846 ( -0.369 0.000 1.957) 1.991 5.975 ( 0.889 0.000 -0.984) 1.326 5.980 ( 0.291 0.000 -1.215) 1.249 5.999 ( 3.138 0.000 0.081) 3.139 6.369 ( -1.186 0.000 -2.519) 2.785======================= Grid point 70 (28/116) =======================q-point: (-0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -14.046 0.000 10.785) 17.709 0.615 ( -16.581 0.000 14.756) 22.196 0.957 ( -19.870 0.000 29.308) 35.409 1.760 ( 9.599 0.000 0.770) 9.630 1.883 ( -0.800 0.000 -0.934) 1.230 1.935 ( -2.767 0.000 -0.341) 2.788 2.162 ( 3.520 0.000 -0.388) 3.542 2.184 ( 3.828 0.000 7.372) 8.307 2.244 ( 0.303 0.000 -2.271) 2.291 2.353 ( 3.354 0.000 -1.012) 3.504 2.479 ( -0.919 0.000 5.370) 5.448 2.565 ( 1.392 0.000 -0.749) 1.581 2.631 ( -0.439 0.000 -3.861) 3.886 2.737 ( 0.161 0.000 3.897) 3.900 2.751 ( -2.688 0.000 -3.678) 4.556 2.804 ( -0.003 0.000 0.768) 0.768 2.931 ( 5.605 0.000 -1.073) 5.707 2.994 ( 3.203 0.000 -0.530) 3.247 3.191 ( -10.492 0.000 -5.413) 11.806 3.277 ( -1.501 0.000 -2.897) 3.263 3.504 ( -2.673 0.000 3.211) 4.179 3.546 ( 6.616 0.000 -5.660) 8.707 3.876 ( -2.336 0.000 -3.599) 4.291 4.029 ( 1.507 0.000 1.491) 2.120 4.149 ( -3.111 0.000 1.276) 3.362 4.172 ( 8.969 0.000 -2.990) 9.455 4.224 ( -0.403 0.000 1.246) 1.310 4.590 ( -2.440 0.000 2.643) 3.597 4.646 ( 0.233 0.000 6.598) 6.602 4.676 ( -2.831 0.000 -2.050) 3.496 4.844 ( 1.407 0.000 -5.108) 5.298 4.938 ( 0.613 0.000 -2.454) 2.529 4.964 ( 3.751 0.000 -0.534) 3.789 5.009 ( 0.180 0.000 0.205) 0.273 5.144 ( -0.995 0.000 1.554) 1.845 5.282 ( 3.663 0.000 1.952) 4.151 5.381 ( 1.272 0.000 0.592) 1.404 5.466 ( -5.170 0.000 0.287) 5.178 5.570 ( 1.761 0.000 -0.649) 1.877 5.586 ( 4.425 0.000 -1.324) 4.619 5.588 ( 0.851 0.000 4.124) 4.210 5.717 ( -3.595 0.000 -0.165) 3.598 5.771 ( -3.650 0.000 -1.284) 3.869 5.855 ( 0.181 0.000 0.374) 0.415 5.993 ( 1.076 0.000 -1.082) 1.526 6.007 ( 1.931 0.000 0.830) 2.102 6.048 ( 1.800 0.000 -0.609) 1.900 6.314 ( -4.769 0.000 -4.171) 6.336======================= Grid point 71 (29/116) =======================q-point: ( 0.00 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( 2.851 17.549 12.422) 21.689 0.654 ( 0.864 15.242 15.844) 22.003 1.158 ( -0.048 28.974 24.522) 37.958 1.816 ( -2.861 -0.154 -2.332) 3.694 1.923 ( 4.079 1.892 2.144) 4.982 1.949 ( -1.334 4.184 0.041) 4.392 2.136 ( -1.506 -3.543 -0.270) 3.860 2.176 ( -0.119 -1.233 -2.996) 3.242 2.298 ( 2.881 -5.407 1.704) 6.359 2.388 ( -0.019 0.144 -0.900) 0.911 2.458 ( -0.375 -3.607 1.236) 3.831 2.508 ( 0.864 -5.794 0.147) 5.860 2.590 ( 1.770 -2.101 2.718) 3.864 2.636 ( -0.355 0.083 -1.743) 1.781 2.783 ( -3.125 -1.765 2.341) 4.285 2.910 ( -0.377 1.954 -2.181) 2.952 2.974 ( 3.274 4.626 -1.063) 5.766 3.065 ( 1.855 0.575 1.907) 2.722 3.135 ( -0.647 6.535 1.628) 6.766 3.207 ( -1.682 -3.150 -4.727) 5.924 3.412 ( -1.609 -3.781 2.039) 4.587 3.588 ( 1.455 -4.223 -2.669) 5.204 3.696 ( -1.781 -9.080 -2.870) 9.688 4.050 ( -0.692 -0.931 -3.553) 3.737 4.218 ( -0.160 5.875 2.292) 6.308 4.257 ( 4.458 -1.319 -0.477) 4.674 4.281 ( 0.926 3.462 -0.075) 3.585 4.462 ( -4.574 0.262 3.373) 5.689 4.577 ( -1.533 -2.380 5.577) 6.255 4.822 ( 1.631 -3.628 -0.426) 4.000 4.886 ( 1.789 4.387 -1.272) 4.905 4.943 ( 0.995 1.881 -2.884) 3.584 4.991 ( -2.789 1.901 -0.878) 3.488 5.083 ( 0.334 3.338 1.118) 3.536 5.106 ( -1.656 1.567 -2.714) 3.545 5.276 ( -3.117 -0.524 0.326) 3.177 5.391 ( -1.073 0.803 -1.460) 1.982 5.405 ( 1.060 -1.306 0.164) 1.690 5.480 ( -1.506 -0.375 0.278) 1.576 5.633 ( 2.347 -1.372 0.992) 2.894 5.647 ( 0.996 -0.385 -0.426) 1.150 5.701 ( -0.555 1.227 -0.294) 1.379 5.820 ( 1.239 -1.058 -2.563) 3.037 5.910 ( 5.221 0.735 -4.971) 7.247 6.028 ( 0.678 0.644 0.958) 1.339 6.042 ( 0.991 1.046 -0.065) 1.442 6.082 ( -0.347 2.048 -1.116) 2.358 6.172 ( -5.289 0.243 0.858) 5.363======================= Grid point 72 (30/116) =======================q-point: ( 0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 7.351 13.638 10.836) 18.907 0.803 ( 10.490 12.203 13.626) 21.086 1.372 ( 14.900 21.541 21.514) 33.895 1.720 ( -6.639 4.217 -2.905) 8.385 1.931 ( -0.536 2.328 0.824) 2.527 1.975 ( 0.015 1.521 1.566) 2.183 2.078 ( -2.503 0.386 -3.190) 4.073 2.176 ( 0.149 -3.635 1.967) 4.135 2.330 ( 0.023 -4.200 0.614) 4.244 2.358 ( -2.121 -3.815 -0.913) 4.459 2.455 ( -0.384 -2.606 -0.404) 2.665 2.511 ( -1.632 -2.468 -1.427) 3.285 2.630 ( 0.725 -2.902 -1.556) 3.372 2.646 ( 1.381 -1.538 5.077) 5.482 2.700 ( -3.838 -1.784 1.645) 4.541 2.885 ( -2.546 -1.121 -0.851) 2.909 2.989 ( -1.185 3.403 1.255) 3.816 3.095 ( 0.908 2.027 0.809) 2.364 3.152 ( 1.900 2.180 -0.697) 2.974 3.190 ( -0.163 -1.362 -4.380) 4.590 3.413 ( 1.331 -1.797 -0.293) 2.256 3.584 ( -1.592 -4.156 -1.233) 4.618 3.686 ( 2.056 -8.350 -4.437) 9.677 4.009 ( -3.154 0.367 -3.321) 4.594 4.223 ( 0.384 6.038 0.083) 6.051 4.273 ( -0.082 3.887 0.390) 3.908 4.305 ( -3.238 -1.290 5.768) 6.739 4.432 ( 3.524 2.159 -2.889) 5.043 4.577 ( -0.112 -4.414 6.554) 7.903 4.850 ( 0.908 4.998 -0.649) 5.121 4.914 ( -0.755 -0.385 -0.388) 0.932 4.930 ( -0.800 -0.973 1.728) 2.138 4.959 ( 1.194 -0.290 -0.737) 1.433 5.053 ( -0.586 6.247 -3.256) 7.069 5.085 ( -1.634 0.039 -0.133) 1.640 5.194 ( -4.122 0.890 -1.358) 4.431 5.363 ( -0.959 2.724 -2.174) 3.615 5.434 ( 0.392 -2.335 -0.887) 2.528 5.475 ( 0.432 -1.219 3.402) 3.639 5.641 ( -0.347 -1.226 -1.522) 1.985 5.688 ( 0.034 1.003 0.037) 1.004 5.710 ( 3.150 -1.997 1.606) 4.060 5.831 ( 0.645 -0.063 -1.493) 1.627 5.981 ( 1.268 1.435 -3.382) 3.887 6.002 ( -2.200 0.157 2.083) 3.034 6.045 ( -0.797 -0.534 2.363) 2.550 6.058 ( -1.208 1.169 -0.342) 1.715 6.159 ( 3.232 -0.026 -3.464) 4.737======================= Grid point 73 (31/116) =======================q-point: ( 0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 12.651 6.992 6.042) 15.667 1.060 ( 12.476 7.353 10.081) 17.645 1.562 ( -8.137 6.679 -2.592) 10.842 1.712 ( 13.107 9.410 15.447) 22.338 1.887 ( -4.810 2.492 2.658) 6.034 1.922 ( -3.972 -0.060 0.338) 3.987 2.084 ( 3.202 4.197 -4.228) 6.763 2.200 ( 1.594 -2.994 4.778) 5.860 2.303 ( -2.785 -5.121 0.440) 5.846 2.321 ( -0.868 -2.507 0.531) 2.705 2.416 ( -4.027 1.408 -0.321) 4.278 2.468 ( -0.066 -0.921 -3.696) 3.809 2.575 ( -6.062 -0.944 4.686) 7.720 2.680 ( 4.101 -5.619 -4.564) 8.320 2.727 ( 1.547 -1.871 5.859) 6.342 2.788 ( -6.102 -1.794 1.480) 6.530 2.981 ( -0.074 2.667 0.944) 2.830 3.111 ( 0.971 2.942 -2.566) 4.023 3.166 ( 0.193 -0.159 -0.926) 0.959 3.203 ( 2.541 -0.934 -4.774) 5.488 3.430 ( -0.330 -3.267 -2.064) 3.879 3.522 ( -4.180 -0.114 1.046) 4.310 3.749 ( 4.591 -6.091 -4.195) 8.705 3.913 ( -5.820 1.164 -3.004) 6.652 4.221 ( -1.637 4.823 -0.618) 5.131 4.243 ( -1.450 2.189 4.507) 5.216 4.285 ( 0.265 6.322 2.232) 6.709 4.508 ( 3.568 -0.497 -2.654) 4.475 4.601 ( 1.452 -5.344 6.042) 8.196 4.850 ( -1.928 5.421 -0.492) 5.775 4.867 ( -0.631 3.296 0.101) 3.357 4.956 ( 0.735 -3.186 -0.283) 3.282 4.977 ( 0.201 -3.000 1.435) 3.331 5.046 ( -0.714 -0.385 -1.799) 1.974 5.078 ( 2.175 2.035 0.446) 3.011 5.131 ( -1.623 2.301 -2.616) 3.843 5.351 ( 0.290 2.734 -3.089) 4.135 5.410 ( -1.976 -2.164 -1.421) 3.257 5.494 ( 0.201 -2.302 3.181) 3.932 5.623 ( -0.889 -1.519 -1.319) 2.200 5.703 ( 1.170 0.237 1.407) 1.845 5.758 ( 1.478 -1.894 0.709) 2.505 5.834 ( -0.214 0.424 -0.805) 0.934 5.938 ( -2.615 1.576 1.474) 3.390 5.994 ( -2.681 0.629 -0.343) 2.775 6.020 ( -0.071 0.612 0.454) 0.766 6.052 ( -0.155 0.084 1.801) 1.809 6.230 ( 4.515 -2.056 -5.712) 7.566======================= Grid point 74 (32/116) =======================q-point: ( 0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 11.362 2.878 2.739) 12.036 1.279 ( 6.890 4.959 6.130) 10.471 1.419 ( -4.194 6.657 0.847) 7.913 1.734 ( -7.855 1.340 2.303) 8.294 1.807 ( -3.682 -1.341 3.061) 4.972 1.996 ( 6.797 -0.711 4.938) 8.431 2.075 ( -4.647 0.053 -4.635) 6.564 2.232 ( -0.316 -1.155 2.538) 2.806 2.301 ( 1.619 -4.554 5.018) 6.967 2.340 ( 1.069 2.997 1.477) 3.508 2.368 ( 2.408 1.525 2.314) 3.672 2.466 ( -4.477 1.742 0.117) 4.805 2.484 ( 1.880 -0.688 -2.125) 2.920 2.647 ( -5.727 -1.933 2.201) 6.433 2.753 ( 3.070 -2.814 -2.304) 4.760 2.800 ( 2.743 0.717 5.673) 6.342 2.971 ( -1.009 1.880 -0.603) 2.217 3.114 ( -0.069 -0.018 -4.626) 4.627 3.206 ( 4.221 1.782 -2.422) 5.183 3.228 ( 0.227 1.679 -2.689) 3.178 3.342 ( -6.836 -1.679 -0.305) 7.046 3.491 ( 0.441 -0.912 0.398) 1.089 3.791 ( -4.810 -1.168 -0.691) 4.998 3.824 ( 2.642 -2.253 -4.375) 5.585 4.180 ( -1.975 4.370 2.450) 5.386 4.244 ( 0.219 4.394 1.083) 4.531 4.299 ( 0.598 6.216 2.823) 6.854 4.548 ( 0.894 -1.892 0.832) 2.252 4.643 ( 1.279 -3.763 2.337) 4.611 4.807 ( -1.646 -0.257 1.346) 2.142 4.868 ( 0.232 4.305 -3.257) 5.403 4.953 ( -0.497 -1.007 -2.041) 2.329 4.973 ( -0.501 -3.547 1.054) 3.734 5.032 ( -0.965 -0.311 0.297) 1.056 5.096 ( -0.443 1.132 0.729) 1.417 5.161 ( 4.357 1.671 -3.216) 5.667 5.353 ( -0.324 0.549 -1.513) 1.642 5.383 ( 0.713 -1.100 -1.805) 2.231 5.489 ( -1.093 -2.575 1.966) 3.420 5.610 ( -0.237 -2.392 -0.368) 2.432 5.727 ( 0.639 0.575 1.182) 1.462 5.771 ( 0.041 -0.750 0.237) 0.788 5.822 ( -0.766 -0.437 0.653) 1.098 5.895 ( -2.189 -0.007 0.063) 2.190 5.934 ( -2.680 1.274 -0.189) 2.973 6.019 ( -0.241 1.862 0.264) 1.896 6.053 ( -0.253 0.152 0.704) 0.763 6.297 ( 3.483 -2.794 -4.958) 6.672======================= Grid point 75 (33/116) =======================q-point: (-0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( -1.957 5.697 0.861) 6.085 1.330 ( -1.167 2.783 2.852) 4.152 1.453 ( -2.794 6.628 1.618) 7.372 1.649 ( 3.576 -2.313 6.023) 7.377 1.771 ( -1.854 -2.721 2.784) 4.312 1.944 ( -5.607 -0.901 -4.192) 7.059 2.077 ( 1.337 -1.813 0.153) 2.258 2.195 ( -2.439 -0.849 2.083) 3.318 2.327 ( 0.159 -1.414 4.262) 4.493 2.388 ( 2.568 -0.355 3.450) 4.316 2.410 ( -0.176 0.163 1.495) 1.514 2.451 ( 3.083 -2.662 0.484) 4.102 2.545 ( 2.058 -1.791 -0.442) 2.764 2.584 ( 0.332 2.257 1.291) 2.621 2.742 ( -4.008 2.131 1.716) 4.853 2.874 ( 2.599 6.581 0.245) 7.080 2.942 ( -2.961 2.997 -0.050) 4.213 3.067 ( -1.701 1.904 -3.880) 4.645 3.205 ( -0.539 -1.268 0.042) 1.378 3.253 ( 0.151 -2.048 -3.370) 3.947 3.330 ( 5.966 1.457 -1.157) 6.249 3.505 ( 0.563 -2.206 0.399) 2.311 3.715 ( -1.924 -1.085 -0.848) 2.366 3.859 ( 1.476 -2.702 -2.779) 4.148 4.159 ( -0.873 5.829 1.937) 6.204 4.253 ( 0.491 4.962 1.146) 5.117 4.319 ( 0.603 4.250 4.625) 6.309 4.542 ( -1.644 -1.429 1.461) 2.624 4.658 ( 0.655 -1.216 0.503) 1.470 4.797 ( 0.010 -1.672 1.238) 2.081 4.857 ( -0.630 -0.438 -4.308) 4.376 4.932 ( -1.156 -0.783 -2.337) 2.722 4.974 ( 0.372 -2.185 0.964) 2.417 5.002 ( -1.780 1.155 -1.844) 2.811 5.088 ( -0.274 1.753 -0.193) 1.785 5.234 ( 3.183 2.324 -1.092) 4.089 5.350 ( 0.636 -2.468 1.288) 2.856 5.416 ( 2.319 -0.622 -1.920) 3.074 5.469 ( -1.031 -2.180 1.003) 2.611 5.607 ( -0.341 -2.719 0.210) 2.748 5.716 ( -1.860 1.288 -0.048) 2.263 5.775 ( 0.591 -0.158 0.400) 0.731 5.808 ( -1.244 -1.320 1.471) 2.335 5.860 ( -0.970 -0.836 -1.735) 2.157 5.912 ( 0.732 1.935 0.372) 2.101 6.011 ( -0.539 2.143 -0.708) 2.321 6.039 ( -1.259 0.215 -0.323) 1.317 6.339 ( 1.821 -3.020 -3.683) 5.099======================= Grid point 76 (34/116) =======================q-point: (-0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -12.203 4.326 2.017) 13.103 1.237 ( -10.365 6.315 3.824) 12.725 1.406 ( 4.765 3.902 0.365) 6.169 1.640 ( -6.944 -4.861 2.866) 8.948 1.844 ( 5.793 1.945 2.988) 6.803 1.913 ( 3.045 3.555 2.538) 5.325 2.050 ( -2.405 0.283 0.088) 2.423 2.210 ( 2.518 -1.997 0.589) 3.268 2.309 ( -1.402 -1.876 -2.502) 3.427 2.373 ( -7.395 -0.450 2.085) 7.697 2.444 ( 2.145 1.744 4.657) 5.416 2.485 ( 2.562 -1.441 1.156) 3.159 2.587 ( 3.657 -1.843 -0.515) 4.128 2.624 ( 0.008 -0.734 -1.868) 2.007 2.676 ( -0.180 3.049 6.822) 7.475 2.830 ( -5.085 3.040 2.095) 6.284 2.909 ( 0.724 2.745 -2.402) 3.719 3.069 ( -0.475 3.925 -4.822) 6.236 3.214 ( 1.238 -3.340 -0.191) 3.568 3.286 ( 4.521 -3.662 -3.949) 7.032 3.422 ( 1.918 3.765 0.257) 4.233 3.511 ( 0.287 -2.735 1.491) 3.128 3.721 ( 2.500 -5.517 -2.803) 6.674 3.883 ( 2.150 -1.291 -1.709) 3.034 4.147 ( -0.724 6.927 1.072) 7.047 4.261 ( -0.194 4.042 0.805) 4.126 4.330 ( -0.898 3.550 5.625) 6.712 4.518 ( -0.447 0.052 1.601) 1.663 4.675 ( 0.541 -1.020 1.299) 1.738 4.806 ( 0.547 -0.855 1.071) 1.475 4.831 ( -0.464 -1.289 -4.472) 4.677 4.897 ( -1.862 0.113 -2.496) 3.116 4.965 ( -1.103 0.767 -2.634) 2.957 4.986 ( 0.142 -0.787 0.687) 1.054 5.099 ( 1.799 1.456 -0.319) 2.336 5.260 ( -0.375 3.548 1.743) 3.971 5.385 ( 2.099 -3.479 0.303) 4.075 5.446 ( 0.854 -1.180 -0.936) 1.731 5.470 ( 1.492 -0.754 1.013) 1.954 5.585 ( -2.023 -2.635 -0.580) 3.372 5.676 ( -1.852 1.661 0.044) 2.488 5.773 ( -1.776 -2.222 0.338) 2.865 5.806 ( 1.677 0.458 0.522) 1.815 5.852 ( 0.318 -0.800 -2.339) 2.492 5.953 ( 2.774 1.695 0.649) 3.315 5.998 ( -0.379 1.702 -1.567) 2.345 6.006 ( -1.714 0.597 -0.909) 2.029 6.351 ( 0.107 -3.101 -2.456) 3.957======================= Grid point 77 (35/116) =======================q-point: (-0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( -15.937 6.867 2.764) 17.573 0.981 ( -15.611 6.598 9.205) 19.287 1.470 ( -9.742 9.384 7.563) 15.497 1.600 ( 10.500 5.794 -0.684) 12.012 1.867 ( -0.548 -0.624 0.982) 1.286 2.019 ( 2.774 4.790 4.991) 7.453 2.047 ( 1.245 -1.993 -0.229) 2.361 2.189 ( -3.644 1.359 0.780) 3.967 2.268 ( -1.221 -0.773 -1.131) 1.835 2.305 ( 1.658 1.414 -2.207) 3.101 2.479 ( 0.239 0.433 3.854) 3.886 2.518 ( 0.482 -3.644 0.639) 3.731 2.600 ( -1.267 -3.242 0.298) 3.494 2.670 ( -0.528 0.015 3.278) 3.320 2.693 ( 4.072 -3.268 -0.000) 5.221 2.810 ( 2.992 -1.619 1.127) 3.583 2.921 ( 0.585 3.994 -1.416) 4.277 3.028 ( -1.694 4.915 -3.599) 6.323 3.228 ( -0.069 -2.897 -1.141) 3.115 3.352 ( -0.521 -5.023 -2.910) 5.828 3.418 ( 1.401 1.652 -2.111) 3.025 3.524 ( 0.299 -0.117 1.578) 1.610 3.757 ( 0.795 -9.612 -1.454) 9.754 3.956 ( 5.740 -2.071 -3.647) 7.109 4.136 ( -0.496 7.171 1.300) 7.305 4.245 ( -1.399 2.816 0.903) 3.272 4.313 ( -1.517 6.363 3.469) 7.404 4.523 ( -0.280 -3.592 3.213) 4.827 4.669 ( -1.894 -0.367 3.860) 4.316 4.807 ( 0.273 -3.099 -3.272) 4.514 4.842 ( 0.449 6.734 -2.696) 7.267 4.884 ( 2.528 -0.203 -0.304) 2.554 4.950 ( 0.481 2.160 -3.108) 3.816 4.993 ( 0.675 -1.258 1.942) 2.410 5.144 ( 2.160 0.899 -0.880) 2.500 5.254 ( -0.154 2.666 3.371) 4.301 5.392 ( -0.699 -0.765 -0.593) 1.194 5.473 ( 1.594 -2.116 -0.461) 2.689 5.508 ( -0.509 -1.445 3.765) 4.065 5.551 ( 1.575 -0.733 -3.505) 3.912 5.644 ( -1.591 2.344 -0.269) 2.845 5.734 ( -2.233 -2.501 -0.896) 3.471 5.828 ( 0.009 -0.095 -2.241) 2.243 5.856 ( 0.346 -0.073 0.208) 0.410 5.979 ( 0.435 0.105 -0.512) 0.679 5.994 ( 0.484 1.575 -1.233) 2.058 6.020 ( 2.834 1.767 -0.124) 3.342 6.334 ( -1.492 -3.172 -1.705) 3.898======================= Grid point 78 (36/116) =======================q-point: (-0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( -8.753 13.325 8.825) 18.223 0.733 ( -11.287 12.227 13.123) 21.192 1.260 ( -12.503 24.291 17.817) 32.616 1.798 ( 8.584 4.249 0.652) 9.600 1.855 ( -1.070 -2.032 -0.446) 2.340 1.991 ( -2.888 4.722 -0.683) 5.577 2.101 ( 3.891 -5.409 0.012) 6.663 2.192 ( 0.058 0.405 2.421) 2.456 2.250 ( 0.790 -0.738 -1.502) 1.850 2.353 ( 2.882 1.508 0.140) 3.256 2.475 ( -0.977 -0.561 0.564) 1.260 2.507 ( -1.071 -7.382 0.567) 7.481 2.581 ( -0.651 -3.091 1.172) 3.370 2.646 ( -0.539 0.082 -1.054) 1.187 2.782 ( 2.453 -1.985 4.035) 5.122 2.890 ( 4.051 -2.784 -0.508) 4.941 2.920 ( 0.673 7.253 -3.099) 7.915 3.024 ( 1.668 2.325 -0.153) 2.866 3.188 ( -3.859 1.750 -1.289) 4.429 3.277 ( -4.118 -2.448 -3.570) 5.975 3.442 ( -0.823 -4.754 1.089) 4.946 3.548 ( 2.614 -0.554 -2.135) 3.420 3.741 ( -1.963 -9.505 -0.820) 9.741 4.045 ( 3.017 -4.059 -5.363) 7.371 4.157 ( 3.365 4.257 1.867) 5.738 4.225 ( -0.765 5.186 1.615) 5.485 4.290 ( -1.227 5.642 1.190) 5.895 4.513 ( -1.565 -5.499 4.077) 7.022 4.622 ( -3.583 0.305 4.434) 5.709 4.804 ( 0.417 -4.008 -2.085) 4.537 4.858 ( 1.541 8.240 -1.572) 8.529 4.926 ( 1.437 0.794 -3.111) 3.518 4.992 ( 3.054 2.193 -1.165) 3.936 5.031 ( 2.946 0.092 2.393) 3.797 5.149 ( -1.372 1.148 -1.879) 2.594 5.273 ( 1.275 0.754 3.074) 3.412 5.393 ( 0.815 0.454 -0.066) 0.935 5.444 ( -3.923 -1.845 -0.227) 4.341 5.502 ( 0.521 -2.869 -0.412) 2.945 5.613 ( -0.742 1.721 1.380) 2.328 5.628 ( 3.256 0.957 -2.678) 4.323 5.693 ( -0.560 -0.625 -0.810) 1.166 5.807 ( -0.524 0.341 -3.531) 3.586 5.864 ( 0.685 0.529 -0.645) 1.079 6.003 ( 1.510 -0.030 0.788) 1.704 6.013 ( 1.645 1.676 -0.688) 2.447 6.067 ( 1.830 1.678 -0.403) 2.515 6.280 ( -4.158 -2.646 -1.741) 5.227======================= Grid point 79 (37/116) =======================q-point: ( 0.00 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 2.210 17.746 9.905) 20.443 1.000 ( 1.236 19.822 6.065) 20.766 1.700 ( 1.791 19.593 7.269) 20.975 1.780 ( -0.544 -3.976 1.181) 4.183 1.955 ( 0.294 -7.726 1.313) 7.843 2.041 ( 1.072 8.952 1.734) 9.181 2.097 ( 0.567 6.263 -1.331) 6.428 2.173 ( 0.315 -0.385 -4.890) 4.915 2.198 ( -1.008 -1.616 -2.199) 2.909 2.307 ( -0.798 -6.913 -0.639) 6.988 2.436 ( -1.175 -0.471 -0.019) 1.266 2.471 ( 0.412 4.510 2.284) 5.072 2.611 ( 2.025 2.195 1.410) 3.302 2.622 ( -1.372 -1.418 -1.008) 2.216 2.745 ( -2.858 -1.781 2.107) 3.973 2.881 ( 0.126 -1.542 0.354) 1.587 3.037 ( -1.228 -1.602 4.564) 4.991 3.090 ( -1.652 -2.402 -1.380) 3.225 3.158 ( 3.392 4.047 -5.641) 7.727 3.251 ( -0.861 2.353 2.235) 3.357 3.315 ( 1.679 -4.134 2.075) 4.921 3.491 ( -0.732 -6.744 -1.847) 7.031 3.536 ( -1.517 -5.543 0.055) 5.747 3.866 ( 0.375 -15.630 0.632) 15.648 4.293 ( 0.382 4.011 3.550) 5.370 4.326 ( 0.917 6.279 0.163) 6.348 4.411 ( -0.728 7.369 -0.641) 7.433 4.496 ( 2.162 2.275 1.712) 3.575 4.557 ( -4.010 -0.119 3.054) 5.042 4.698 ( 0.952 -7.048 2.142) 7.428 4.932 ( -1.491 0.453 3.502) 3.833 4.965 ( 0.701 1.398 -2.693) 3.114 5.032 ( -0.516 1.263 -2.059) 2.470 5.080 ( 1.088 0.393 0.870) 1.447 5.215 ( -0.453 4.253 -1.848) 4.659 5.268 ( -1.824 -0.325 0.417) 1.899 5.356 ( -0.607 -2.494 -0.417) 2.600 5.413 ( -0.456 -0.009 -2.032) 2.083 5.472 ( 0.057 0.277 -2.701) 2.716 5.604 ( 0.292 -1.830 -3.534) 3.990 5.659 ( 0.611 1.066 -0.329) 1.272 5.713 ( 0.237 -0.844 -0.947) 1.291 5.817 ( 2.420 1.685 -2.090) 3.614 5.901 ( 3.640 -0.778 -4.652) 5.958 6.025 ( 0.211 -0.101 2.942) 2.951 6.060 ( -0.134 0.297 -0.463) 0.567 6.121 ( 0.082 1.615 -0.979) 1.890 6.174 ( -3.001 -0.195 0.765) 3.103======================= Grid point 80 (38/116) =======================q-point: ( 0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 2.456 17.371 6.802) 18.816 1.087 ( 6.909 15.996 9.762) 19.973 1.766 ( 2.395 8.112 -0.921) 8.508 1.795 ( 1.976 6.372 7.822) 10.280 1.927 ( -3.584 -5.555 1.447) 6.767 2.034 ( -2.138 -0.413 2.770) 3.523 2.102 ( -1.443 8.514 -1.228) 8.723 2.183 ( 3.078 6.018 -4.757) 8.266 2.195 ( 0.939 -6.040 -2.616) 6.649 2.294 ( 0.218 -1.986 0.363) 2.030 2.423 ( -1.270 -1.399 -0.595) 1.981 2.488 ( 1.303 2.696 1.942) 3.569 2.571 ( -3.267 -3.191 -1.720) 4.880 2.659 ( 1.673 1.677 2.418) 3.384 2.671 ( -3.648 -1.414 1.111) 4.067 2.847 ( -3.444 -1.778 0.060) 3.876 2.991 ( -2.707 -3.618 1.376) 4.723 3.083 ( 0.615 -3.234 2.473) 4.117 3.159 ( -0.759 -1.011 -5.137) 5.290 3.244 ( -0.996 4.922 1.694) 5.300 3.374 ( 1.165 -1.549 0.502) 2.002 3.510 ( 3.147 -3.953 -0.358) 5.066 3.549 ( 3.516 -4.028 -0.771) 5.402 3.878 ( 0.420 -13.456 0.668) 13.479 4.304 ( -0.272 4.860 3.851) 6.207 4.342 ( 0.732 3.614 -0.452) 3.715 4.388 ( -1.825 6.466 -0.658) 6.751 4.511 ( -0.533 1.360 3.652) 3.933 4.536 ( 1.514 3.376 0.559) 3.742 4.740 ( 2.659 -8.142 2.712) 8.984 4.914 ( -1.055 -0.414 2.377) 2.633 4.959 ( -1.087 0.610 -1.745) 2.145 5.012 ( -0.694 2.889 -2.427) 3.837 5.080 ( -0.871 0.150 1.088) 1.402 5.171 ( -3.322 3.903 -2.446) 5.679 5.227 ( -1.765 2.587 -1.732) 3.579 5.371 ( 1.592 -3.323 0.436) 3.710 5.388 ( -1.453 -1.116 -2.135) 2.813 5.456 ( -1.278 0.315 -1.643) 2.105 5.603 ( -0.096 -2.742 -4.083) 4.920 5.685 ( 1.237 0.130 -1.224) 1.745 5.705 ( 0.337 -0.540 1.266) 1.417 5.864 ( 2.006 3.300 -1.241) 4.056 5.961 ( 3.219 -1.151 -3.184) 4.671 6.020 ( -3.531 0.263 1.001) 3.679 6.028 ( -0.570 -0.993 3.184) 3.384 6.096 ( -1.870 1.973 -0.505) 2.765 6.155 ( 0.924 -0.358 -1.672) 1.944======================= Grid point 81 (39/116) =======================q-point: ( 0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 5.571 11.483 4.418) 13.506 1.262 ( 8.544 12.586 8.384) 17.369 1.726 ( -5.842 8.759 -1.100) 10.585 1.810 ( -5.691 -3.185 3.164) 7.249 1.904 ( 4.059 2.980 4.389) 6.680 1.990 ( -4.526 3.242 -2.930) 6.292 2.060 ( 0.441 -4.964 4.058) 6.427 2.174 ( -2.214 -5.396 -2.253) 6.252 2.237 ( 0.285 2.426 -2.909) 3.798 2.352 ( 4.120 6.400 3.022) 8.189 2.384 ( -0.555 -4.740 -3.011) 5.643 2.474 ( -2.475 3.229 0.768) 4.140 2.559 ( -1.863 -0.877 0.689) 2.172 2.600 ( 1.959 -1.069 -3.643) 4.273 2.717 ( 1.141 1.227 3.267) 3.672 2.770 ( -2.754 -0.690 3.346) 4.388 2.971 ( 0.138 -4.443 -0.802) 4.517 3.112 ( 1.489 -4.765 1.702) 5.274 3.149 ( 1.052 -0.757 -4.427) 4.612 3.220 ( -1.087 5.278 0.449) 5.408 3.366 ( -0.756 -3.295 -1.263) 3.609 3.540 ( -0.429 1.389 2.970) 3.307 3.655 ( 5.400 -3.118 0.573) 6.262 3.873 ( -0.977 -6.044 -1.135) 6.227 4.295 ( -1.434 4.034 3.476) 5.515 4.322 ( -1.504 3.692 -2.220) 4.563 4.394 ( 2.104 4.741 2.082) 5.589 4.526 ( 0.065 -0.859 3.580) 3.682 4.566 ( 2.056 5.348 -0.845) 5.792 4.801 ( 2.759 -7.031 3.194) 8.201 4.897 ( -1.193 -0.423 0.125) 1.272 4.911 ( -3.518 -1.279 -0.003) 3.743 4.978 ( -2.262 -0.677 -2.011) 3.102 5.085 ( 0.702 4.936 0.425) 5.004 5.116 ( -0.945 2.239 -0.932) 2.603 5.191 ( -1.306 2.678 -3.054) 4.267 5.352 ( -1.713 -2.544 -2.090) 3.711 5.396 ( 0.647 -0.338 -1.624) 1.781 5.429 ( -0.988 -2.262 0.526) 2.523 5.577 ( -1.478 -3.335 -2.617) 4.489 5.697 ( 1.216 -0.092 0.509) 1.321 5.742 ( 1.965 -0.205 0.385) 2.012 5.870 ( -1.169 2.494 -0.375) 2.780 5.949 ( -3.651 0.005 2.132) 4.227 5.999 ( -0.096 -0.241 -1.039) 1.071 6.027 ( 0.754 0.139 0.192) 0.791 6.067 ( -0.894 1.398 0.521) 1.740 6.184 ( 2.435 -2.427 -3.766) 5.099======================= Grid point 82 (40/116) =======================q-point: ( 0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 8.464 4.552 1.104) 9.673 1.415 ( 5.149 8.802 5.964) 11.813 1.578 ( -7.783 8.649 1.655) 11.753 1.712 ( -4.972 -2.023 1.887) 5.689 1.864 ( -6.457 5.257 -2.013) 8.567 1.968 ( -0.272 -2.650 0.755) 2.768 2.084 ( -1.835 0.590 1.479) 2.430 2.136 ( 1.484 -9.837 4.022) 10.731 2.226 ( 0.609 1.244 -1.924) 2.371 2.365 ( -0.392 -3.748 -1.416) 4.026 2.418 ( 0.739 0.659 2.097) 2.319 2.446 ( -0.895 3.975 1.038) 4.205 2.510 ( -0.033 0.443 -3.882) 3.908 2.650 ( -1.728 -0.108 0.153) 1.739 2.714 ( 3.695 0.527 -2.621) 4.560 2.831 ( 5.275 2.286 6.444) 8.636 2.970 ( 0.019 -3.633 -3.096) 4.774 3.117 ( -0.324 -3.018 -2.459) 3.906 3.179 ( 0.326 0.200 2.784) 2.810 3.241 ( 3.948 2.452 -0.789) 4.714 3.347 ( -1.330 -0.883 0.165) 1.605 3.517 ( -2.020 3.533 2.449) 4.749 3.710 ( -0.703 -3.602 2.581) 4.487 3.851 ( 0.083 1.728 -3.695) 4.080 4.270 ( -1.428 3.940 3.294) 5.331 4.312 ( 0.535 2.093 -1.111) 2.429 4.437 ( 1.155 6.933 0.948) 7.092 4.520 ( -0.565 -1.524 4.061) 4.374 4.612 ( 2.451 2.572 -0.590) 3.602 4.822 ( -2.725 1.872 0.103) 3.308 4.847 ( -1.378 -4.458 0.050) 4.667 4.886 ( 0.346 -5.237 0.690) 5.294 4.939 ( -1.442 -2.688 0.378) 3.074 5.077 ( -0.503 5.553 -0.904) 5.648 5.131 ( 0.463 2.992 0.389) 3.052 5.181 ( 1.202 -1.149 -3.754) 4.106 5.323 ( -0.432 -3.019 -1.219) 3.284 5.390 ( -0.236 1.125 -2.380) 2.643 5.420 ( -0.582 -3.496 1.438) 3.825 5.553 ( -0.508 -3.423 -0.328) 3.476 5.729 ( 1.495 0.140 0.632) 1.629 5.767 ( 0.584 0.212 -0.221) 0.659 5.835 ( -1.988 1.012 0.299) 2.251 5.888 ( -3.027 -0.589 0.660) 3.154 5.972 ( -1.325 2.531 -0.939) 3.008 6.045 ( 0.477 0.698 -0.522) 0.993 6.059 ( -0.363 0.550 0.260) 0.709 6.226 ( 2.571 -4.200 -3.916) 6.292======================= Grid point 83 (41/116) =======================q-point: (-0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( -0.637 3.970 -0.197) 4.025 1.455 ( -1.148 9.446 0.689) 9.541 1.552 ( 4.598 -0.200 5.578) 7.231 1.583 ( -8.760 3.393 1.978) 9.600 1.781 ( -0.796 1.113 -1.677) 2.164 1.898 ( -3.597 -3.751 -3.119) 6.061 2.089 ( 1.583 2.155 3.719) 4.581 2.186 ( 1.664 -9.109 4.099) 10.126 2.231 ( -0.751 3.791 -1.886) 4.301 2.358 ( 0.131 -3.233 -1.139) 3.430 2.435 ( 0.753 0.988 2.804) 3.066 2.457 ( 2.380 3.894 0.544) 4.596 2.520 ( 1.113 -1.118 -2.738) 3.160 2.624 ( -0.477 1.282 0.855) 1.614 2.747 ( -0.444 -1.388 -0.120) 1.462 2.929 ( 1.426 1.129 -2.179) 2.839 3.002 ( 6.281 -1.989 -1.123) 6.684 3.108 ( -0.560 1.828 -1.554) 2.464 3.157 ( -3.421 -3.344 4.048) 6.267 3.232 ( -5.499 2.893 2.844) 6.833 3.393 ( 5.719 1.042 1.071) 5.911 3.497 ( 0.066 3.773 -1.499) 4.060 3.659 ( -3.811 -2.931 2.394) 5.371 3.864 ( 1.345 2.129 -2.955) 3.882 4.262 ( -0.042 3.455 3.385) 4.837 4.326 ( 0.722 2.700 0.078) 2.796 4.424 ( -2.010 4.837 0.732) 5.289 4.546 ( 1.842 1.986 4.242) 5.033 4.643 ( 0.717 0.905 -0.326) 1.200 4.785 ( -0.337 -1.270 -1.096) 1.711 4.810 ( -1.848 -1.160 -0.857) 2.344 4.892 ( -0.249 -3.271 -0.851) 3.389 4.924 ( -0.366 -3.368 1.867) 3.868 5.065 ( -0.658 4.861 -1.531) 5.139 5.124 ( -0.697 2.179 -0.427) 2.327 5.219 ( 3.577 -4.990 -1.833) 6.407 5.338 ( 1.468 -0.336 -0.745) 1.680 5.380 ( -0.624 -0.780 -0.148) 1.010 5.418 ( 0.566 -2.651 0.774) 2.819 5.550 ( -0.229 -3.015 0.517) 3.068 5.735 ( -1.325 0.748 -0.034) 1.522 5.771 ( 0.215 0.042 -0.088) 0.237 5.808 ( -0.865 0.668 0.036) 1.094 5.842 ( -1.243 -0.894 -1.598) 2.213 5.966 ( 0.996 3.450 -0.230) 3.599 6.038 ( -1.023 0.586 -0.866) 1.463 6.048 ( -0.707 0.696 -0.994) 1.404 6.260 ( 1.577 -4.890 -2.930) 5.915======================= Grid point 84 (42/116) =======================q-point: (-0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -10.190 5.792 0.525) 11.733 1.379 ( -11.170 8.030 5.245) 14.723 1.505 ( 6.135 5.931 -1.128) 8.607 1.611 ( 1.298 2.229 0.885) 2.727 1.844 ( -0.535 -3.099 -1.367) 3.429 1.898 ( 9.654 -4.690 -1.401) 10.824 2.107 ( -1.699 3.636 3.213) 5.141 2.200 ( -1.517 -0.985 -0.861) 2.003 2.232 ( 3.549 -1.293 1.359) 4.014 2.350 ( -1.241 -0.465 -0.929) 1.618 2.450 ( 0.258 0.111 1.956) 1.976 2.500 ( 0.474 1.568 0.521) 1.719 2.565 ( 3.569 -1.823 -0.527) 4.042 2.622 ( 0.853 0.823 -1.875) 2.218 2.726 ( -1.243 1.381 2.854) 3.406 2.908 ( -4.836 3.356 0.793) 5.939 3.005 ( -6.125 5.461 3.945) 9.105 3.125 ( 4.077 0.468 -4.202) 5.874 3.142 ( -0.287 -2.878 -0.662) 2.967 3.169 ( 1.288 -4.498 2.083) 5.121 3.446 ( -1.504 -3.027 1.558) 3.722 3.526 ( 2.966 4.443 -2.230) 5.789 3.605 ( -1.942 -4.963 2.900) 6.067 3.881 ( 0.933 -0.024 -1.955) 2.166 4.277 ( 0.451 5.339 3.490) 6.395 4.329 ( -0.472 2.837 0.244) 2.886 4.390 ( -1.201 2.355 2.147) 3.405 4.565 ( -1.838 4.856 1.068) 5.301 4.655 ( 1.038 -0.962 2.069) 2.507 4.754 ( -1.950 -4.490 -1.733) 5.193 4.832 ( 3.085 2.377 1.316) 4.111 4.888 ( 1.126 -1.273 -2.443) 2.976 4.936 ( 1.189 -1.641 0.681) 2.138 5.042 ( -1.122 4.330 -2.179) 4.976 5.127 ( 1.357 1.412 0.006) 1.958 5.287 ( 1.796 -6.292 1.486) 6.710 5.343 ( 0.618 4.112 -1.286) 4.352 5.392 ( 1.732 -3.496 -0.945) 4.014 5.447 ( 2.251 -1.831 0.848) 3.023 5.532 ( -1.879 -2.801 -0.481) 3.407 5.701 ( -1.469 1.113 0.042) 1.843 5.752 ( -2.080 -0.264 -0.468) 2.148 5.816 ( 1.603 0.442 -0.378) 1.705 5.834 ( 0.334 -0.736 -2.570) 2.694 5.996 ( 0.625 2.211 0.033) 2.298 6.014 ( 0.118 0.991 -1.344) 1.674 6.031 ( -0.443 1.232 -1.442) 1.947 6.273 ( 0.239 -4.705 -1.670) 4.998======================= Grid point 85 (43/116) =======================q-point: (-0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( -9.694 11.512 2.379) 15.237 1.180 ( -10.313 12.662 6.169) 17.457 1.622 ( 3.332 6.504 -0.140) 7.309 1.701 ( 9.575 0.839 -1.604) 9.745 1.828 ( -0.741 -4.848 0.452) 4.926 2.024 ( -0.330 3.235 1.638) 3.641 2.107 ( 4.190 -1.262 -1.581) 4.652 2.171 ( -1.335 -1.732 -2.136) 3.057 2.302 ( -2.338 7.994 3.632) 9.086 2.310 ( 2.263 -3.340 -0.750) 4.104 2.452 ( -0.427 -0.485 0.534) 0.838 2.491 ( -0.913 0.128 -2.230) 2.414 2.571 ( -0.594 -0.694 -0.084) 0.917 2.697 ( -1.046 2.674 1.609) 3.291 2.701 ( 1.895 2.824 4.815) 5.895 2.784 ( -2.625 1.407 3.203) 4.374 2.985 ( 1.291 1.365 0.429) 1.927 3.084 ( -2.735 0.697 -0.679) 2.903 3.186 ( 2.537 -1.946 -2.678) 4.171 3.228 ( 1.477 -5.793 -0.799) 6.032 3.392 ( -3.167 -3.305 0.196) 4.582 3.551 ( -0.056 0.842 -1.584) 1.795 3.591 ( -0.769 -5.807 3.721) 6.940 3.885 ( -0.405 -5.903 -0.629) 5.950 4.281 ( -0.436 7.080 2.818) 7.633 4.317 ( -0.721 4.224 0.171) 4.289 4.399 ( 1.403 0.401 3.529) 3.819 4.500 ( -3.787 4.467 -0.766) 5.906 4.656 ( -1.425 -2.438 1.019) 3.002 4.728 ( -1.389 -3.570 2.579) 4.618 4.893 ( 3.418 1.159 -1.064) 3.763 4.939 ( 3.359 0.063 -2.290) 4.066 4.962 ( 1.296 2.478 0.978) 2.963 5.029 ( 0.419 4.109 -0.804) 4.208 5.170 ( 2.639 1.800 -0.073) 3.195 5.284 ( -0.632 -1.248 1.690) 2.194 5.373 ( 1.267 -0.067 0.112) 1.273 5.423 ( 1.248 -2.591 -1.101) 3.079 5.472 ( -2.012 -1.629 -0.183) 2.595 5.528 ( 4.898 -2.101 -3.795) 6.543 5.681 ( -1.062 1.367 -0.089) 1.733 5.709 ( -1.973 -0.338 -0.827) 2.166 5.822 ( -0.709 -0.393 -3.399) 3.495 5.847 ( 0.928 -0.571 -0.519) 1.207 5.988 ( 0.301 0.827 -0.504) 1.014 6.019 ( 0.592 0.731 -1.379) 1.669 6.062 ( 2.526 2.541 0.142) 3.586 6.263 ( -1.022 -3.873 -0.550) 4.043======================= Grid point 86 (44/116) =======================q-point: (-0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( -2.145 17.893 5.378) 18.806 1.031 ( -6.006 17.008 7.207) 19.423 1.665 ( 1.268 11.511 3.563) 12.117 1.803 ( -1.460 -2.586 0.495) 3.011 1.886 ( 7.362 -4.824 -0.294) 8.806 2.015 ( 0.414 6.292 1.834) 6.567 2.114 ( -1.977 5.103 -3.117) 6.298 2.169 ( 1.065 -2.976 -4.082) 5.163 2.242 ( -3.241 4.519 2.710) 6.186 2.330 ( -1.176 -6.793 -0.395) 6.905 2.451 ( 0.779 5.292 2.725) 6.003 2.468 ( -1.280 -0.196 -2.008) 2.390 2.578 ( 1.110 1.465 0.863) 2.031 2.643 ( -1.461 0.397 0.751) 1.690 2.756 ( 0.763 0.124 4.501) 4.567 2.833 ( 4.205 -2.498 0.832) 4.962 3.034 ( 2.480 2.714 2.730) 4.580 3.050 ( 0.715 1.120 -1.776) 2.218 3.181 ( -2.818 -5.047 -3.122) 6.569 3.241 ( 1.397 1.299 -1.360) 2.343 3.339 ( -2.724 -5.565 0.683) 6.234 3.526 ( -1.979 -2.649 -1.176) 3.509 3.573 ( -1.967 -6.076 2.642) 6.911 3.869 ( -0.803 -12.713 0.119) 12.739 4.282 ( -0.071 4.826 3.312) 5.853 4.311 ( 0.372 6.523 -0.288) 6.540 4.434 ( -0.971 7.712 0.468) 7.787 4.450 ( 1.142 -0.631 2.215) 2.570 4.620 ( -2.650 -1.469 1.451) 3.360 4.700 ( -1.576 -5.077 2.587) 5.912 4.944 ( 1.707 0.601 -1.333) 2.248 4.955 ( -0.793 1.373 1.039) 1.896 5.009 ( 3.035 1.096 -1.862) 3.726 5.053 ( 1.378 2.557 1.374) 3.213 5.207 ( 1.248 3.818 -0.975) 4.134 5.283 ( -0.179 -0.608 0.847) 1.057 5.384 ( -1.098 -2.040 1.271) 2.642 5.413 ( -0.055 -0.905 -2.125) 2.310 5.467 ( 1.090 -0.364 -3.070) 3.278 5.606 ( 1.749 -1.825 -3.243) 4.112 5.659 ( -0.205 1.477 -1.286) 1.969 5.691 ( 0.812 0.018 -0.734) 1.095 5.801 ( -0.152 -0.044 -3.351) 3.355 5.859 ( 1.245 -0.782 -2.576) 2.967 6.007 ( 1.118 0.589 1.315) 1.824 6.041 ( 1.644 0.857 -0.663) 1.969 6.104 ( 1.658 1.976 -0.073) 2.581 6.230 ( -2.410 -2.388 0.160) 3.397======================= Grid point 87 (45/116) =======================q-point: ( 0.00 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 1.519 16.197 6.968) 17.697 1.375 ( 1.478 17.929 1.998) 18.100 1.603 ( 1.138 -11.966 5.546) 13.237 1.708 ( 1.296 -14.632 0.623) 14.702 1.949 ( 1.514 7.474 -3.128) 8.243 2.067 ( -0.220 -3.515 -3.498) 4.964 2.131 ( 0.524 -1.157 -3.103) 3.353 2.142 ( 1.042 -3.047 -2.393) 4.012 2.277 ( 0.113 5.435 -1.856) 5.744 2.369 ( -1.401 -0.268 -0.353) 1.469 2.518 ( 0.016 8.206 -0.199) 8.208 2.571 ( 1.190 3.447 -4.545) 5.827 2.605 ( -0.048 1.476 -0.954) 1.759 2.666 ( -0.647 -1.658 -0.270) 1.800 2.746 ( -4.914 11.956 6.690) 14.555 2.890 ( -1.392 1.832 3.189) 3.932 2.981 ( -3.986 -3.953 0.786) 5.668 3.040 ( 0.524 -0.393 3.174) 3.241 3.129 ( -3.252 -7.013 3.297) 8.404 3.241 ( 1.309 -6.311 0.753) 6.489 3.307 ( 5.240 -3.134 -0.766) 6.153 3.337 ( 3.768 -0.280 -0.394) 3.798 3.497 ( -2.380 0.961 2.638) 3.681 3.589 ( -1.889 -9.543 4.994) 10.935 4.379 ( 1.155 5.117 1.092) 5.358 4.442 ( -0.411 2.414 -1.310) 2.777 4.503 ( 2.788 1.345 3.382) 4.585 4.524 ( -2.173 1.513 -0.071) 2.648 4.544 ( -1.109 -1.300 0.538) 1.792 4.590 ( -0.400 -3.164 4.926) 5.868 4.964 ( -0.864 2.951 1.197) 3.300 4.986 ( 0.392 0.592 -2.682) 2.774 5.034 ( -0.042 0.307 -1.095) 1.138 5.080 ( -0.684 -2.300 2.216) 3.267 5.239 ( -0.610 0.454 -0.057) 0.763 5.262 ( -0.814 -1.125 0.414) 1.449 5.349 ( -0.630 1.850 -1.157) 2.271 5.390 ( -0.740 -1.967 -1.542) 2.607 5.502 ( 0.210 2.486 -5.093) 5.671 5.558 ( -0.102 -2.911 -5.829) 6.516 5.675 ( 0.217 0.565 -0.503) 0.787 5.688 ( 0.194 -1.009 -0.495) 1.141 5.861 ( 4.000 1.952 -3.781) 5.840 5.887 ( 3.931 -0.825 -4.812) 6.269 6.034 ( -0.730 1.017 2.890) 3.149 6.055 ( -0.728 -0.824 1.196) 1.625 6.146 ( -0.477 1.049 0.099) 1.157 6.164 ( -1.490 -0.778 0.659) 1.806======================= Grid point 88 (46/116) =======================q-point: ( 0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 2.216 15.712 6.736) 17.238 1.406 ( 2.507 16.176 4.047) 16.862 1.657 ( 3.223 -11.062 6.046) 13.012 1.711 ( -1.574 -13.875 1.752) 14.074 1.961 ( 0.888 6.086 -1.727) 6.388 2.062 ( 0.343 -4.498 -2.771) 5.294 2.101 ( -2.710 3.096 -2.440) 4.783 2.153 ( -0.764 -2.099 -6.098) 6.494 2.271 ( 0.079 3.954 -1.997) 4.430 2.353 ( 0.277 -0.862 0.057) 0.907 2.473 ( -5.545 3.914 -1.007) 6.861 2.556 ( -1.560 0.571 -2.052) 2.640 2.611 ( -0.926 0.921 0.608) 1.441 2.615 ( -2.204 -0.817 -2.858) 3.701 2.739 ( 2.899 12.898 5.259) 14.227 2.835 ( -3.957 0.791 1.770) 4.407 2.899 ( -3.696 -3.118 -0.658) 4.880 3.059 ( -1.955 -9.313 -2.675) 9.885 3.082 ( 1.853 4.373 4.546) 6.574 3.242 ( 0.583 -8.847 0.843) 8.906 3.387 ( -0.821 5.060 5.153) 7.269 3.463 ( 6.425 -0.893 3.306) 7.280 3.521 ( 5.017 -0.078 0.410) 5.035 3.603 ( 3.420 -11.162 2.978) 12.048 4.403 ( 0.357 3.987 1.557) 4.295 4.412 ( -2.189 2.925 -0.939) 3.772 4.466 ( -2.396 2.271 0.761) 3.388 4.549 ( 1.235 2.570 1.169) 3.081 4.573 ( 3.496 -4.452 1.861) 5.959 4.610 ( 0.983 -1.542 3.634) 4.069 4.934 ( -2.353 2.572 0.697) 3.555 4.976 ( -1.232 -0.253 -1.995) 2.359 5.016 ( -1.575 0.919 -1.710) 2.500 5.078 ( 0.508 -2.544 1.440) 2.967 5.220 ( -2.089 1.955 -1.261) 3.127 5.247 ( -1.058 -0.683 -0.859) 1.524 5.336 ( 0.408 0.411 -0.360) 0.682 5.359 ( -1.323 -1.455 -0.611) 2.059 5.483 ( -1.362 2.132 -4.954) 5.563 5.539 ( -0.921 -3.461 -5.944) 6.940 5.688 ( 0.591 0.130 -0.364) 0.706 5.693 ( 1.358 -0.396 0.415) 1.474 5.928 ( 2.713 2.413 -3.793) 5.251 5.949 ( 3.294 -0.300 -4.494) 5.580 6.011 ( -2.311 -0.320 3.832) 4.486 6.018 ( -2.692 -0.557 3.387) 4.362 6.126 ( -1.410 1.128 -0.284) 1.828 6.144 ( -0.509 -0.788 -0.635) 1.133======================= Grid point 89 (47/116) =======================q-point: ( 0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -0.677 13.539 3.145) 13.916 1.515 ( 5.273 12.000 5.742) 14.310 1.652 ( -4.037 -10.883 3.013) 11.992 1.750 ( 4.928 -8.613 5.097) 11.155 1.951 ( -5.233 4.939 3.569) 8.032 2.025 ( -1.442 2.118 -4.363) 5.060 2.076 ( 0.435 -2.893 -1.290) 3.197 2.086 ( -4.226 0.875 -8.089) 9.169 2.269 ( -0.311 2.248 -1.893) 2.955 2.338 ( -4.457 -2.478 -0.589) 5.133 2.386 ( 1.279 2.225 -0.796) 2.687 2.504 ( -2.518 -5.193 -2.147) 6.158 2.559 ( -1.365 3.677 -0.786) 4.000 2.627 ( 0.804 -1.212 -1.414) 2.028 2.765 ( -3.008 1.745 0.789) 3.566 2.822 ( 2.984 4.998 4.159) 7.154 2.858 ( 0.161 -0.038 -1.985) 1.992 3.024 ( -0.964 -6.615 -1.704) 6.899 3.155 ( 4.589 3.975 1.872) 6.353 3.268 ( 1.699 -5.254 0.485) 5.543 3.366 ( -1.764 7.234 4.844) 8.883 3.513 ( -0.530 -5.718 6.257) 8.493 3.644 ( 5.912 2.149 1.951) 6.586 3.726 ( 7.378 -6.654 0.506) 9.948 4.362 ( -2.635 1.751 -1.963) 3.723 4.368 ( -3.017 1.110 0.504) 3.254 4.483 ( 2.501 5.681 4.098) 7.438 4.567 ( 0.078 2.187 0.635) 2.278 4.639 ( 1.498 -0.103 1.875) 2.402 4.653 ( 4.418 -5.331 1.929) 7.187 4.875 ( -3.774 0.596 -0.797) 3.903 4.922 ( -3.473 -3.227 -2.017) 5.152 4.979 ( -2.266 5.725 -0.996) 6.237 5.098 ( 0.788 -4.421 -0.142) 4.493 5.177 ( -1.394 2.541 0.067) 2.899 5.211 ( -1.590 -0.400 -0.137) 1.645 5.333 ( -1.721 1.453 -2.129) 3.100 5.362 ( 1.187 -0.852 0.344) 1.501 5.439 ( -1.588 1.355 -3.707) 4.254 5.496 ( -1.851 -4.416 -4.052) 6.272 5.709 ( 1.668 1.132 0.321) 2.041 5.732 ( 2.112 -0.962 0.326) 2.343 5.912 ( -2.915 1.694 -0.156) 3.375 5.939 ( -3.779 -1.056 0.774) 3.999 6.005 ( 1.913 0.975 -0.750) 2.274 6.023 ( 1.552 -0.602 -0.123) 1.669 6.099 ( -1.220 1.799 -0.392) 2.208 6.138 ( 0.138 -2.225 -1.801) 2.866======================= Grid point 90 (48/116) =======================q-point: ( 0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 2.077 7.561 1.051) 7.911 1.540 ( -1.989 -3.422 0.444) 3.983 1.651 ( 1.319 7.168 6.355) 9.670 1.801 ( -7.469 9.088 0.656) 11.782 1.845 ( 0.609 -9.562 3.628) 10.245 1.958 ( -6.152 -4.610 -4.560) 8.939 1.983 ( -1.941 2.925 -0.976) 3.644 2.075 ( -0.820 -3.131 0.484) 3.272 2.273 ( 2.369 2.910 -2.171) 4.335 2.308 ( 0.663 -0.807 -1.358) 1.714 2.425 ( 2.569 0.765 -2.223) 3.482 2.479 ( 0.043 -3.397 -3.716) 5.035 2.541 ( -0.316 5.212 0.080) 5.223 2.636 ( 0.265 -3.203 -1.266) 3.455 2.726 ( -1.248 2.994 2.310) 3.982 2.844 ( 0.378 -7.626 0.075) 7.636 2.911 ( 3.838 5.409 0.521) 6.653 3.017 ( 0.754 -5.253 -1.022) 5.404 3.237 ( 2.224 3.256 2.383) 4.607 3.301 ( 0.981 -3.143 1.587) 3.656 3.348 ( -0.452 7.918 4.051) 8.906 3.498 ( -1.813 -6.222 4.640) 7.970 3.739 ( 3.190 6.011 1.723) 7.019 3.843 ( 4.266 -3.225 -1.342) 5.514 4.311 ( -2.175 0.809 -0.717) 2.428 4.324 ( -1.047 -0.498 1.169) 1.647 4.537 ( 0.252 3.463 3.986) 5.286 4.553 ( -0.148 3.902 1.526) 4.192 4.674 ( 1.923 1.467 0.204) 2.427 4.744 ( 4.194 -5.979 1.782) 7.518 4.798 ( -3.427 0.351 -1.595) 3.797 4.862 ( -2.114 -4.466 -0.836) 5.011 4.924 ( -2.681 7.226 -1.048) 7.778 5.080 ( -1.875 -7.448 -2.003) 7.937 5.169 ( 0.146 3.338 0.610) 3.396 5.225 ( 2.267 1.638 2.505) 3.754 5.267 ( -3.903 1.360 -3.287) 5.281 5.360 ( -1.343 -3.671 -0.537) 3.946 5.423 ( 0.525 2.215 -1.444) 2.696 5.480 ( 0.574 -3.655 -1.019) 3.837 5.743 ( 1.476 1.174 0.079) 1.888 5.764 ( 0.986 -0.702 -0.118) 1.216 5.853 ( -2.722 0.928 0.176) 2.881 5.872 ( -3.110 -0.967 0.433) 3.286 6.025 ( 0.676 2.344 -1.726) 2.988 6.049 ( 0.825 -0.339 -0.997) 1.338 6.079 ( -0.715 1.944 -0.408) 2.111 6.143 ( 0.797 -4.126 -2.378) 4.828======================= Grid point 91 (49/116) =======================q-point: (-0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 0.460 4.245 0.209) 4.275 1.549 ( 2.566 -5.210 -0.459) 5.826 1.627 ( -3.960 7.214 3.601) 8.982 1.665 ( -4.632 6.935 2.885) 8.825 1.804 ( -4.031 -2.909 -0.848) 5.042 1.825 ( -4.894 -0.895 -6.724) 8.365 2.031 ( 3.771 -2.636 2.561) 5.266 2.092 ( 3.206 -4.108 0.920) 5.291 2.317 ( 0.589 3.569 -1.443) 3.895 2.331 ( 2.403 1.127 0.338) 2.676 2.460 ( 1.351 0.452 -1.007) 1.745 2.479 ( 0.933 -2.133 -4.741) 5.282 2.547 ( 0.678 4.705 0.360) 4.768 2.627 ( -0.880 -2.116 -1.328) 2.649 2.727 ( 0.611 2.180 2.729) 3.546 2.848 ( 0.101 -8.053 0.023) 8.054 2.994 ( 4.319 2.107 1.258) 4.967 3.049 ( 2.373 -3.478 0.080) 4.211 3.227 ( -3.050 4.982 2.584) 6.388 3.278 ( -3.657 0.473 3.815) 5.305 3.386 ( 2.135 1.410 3.626) 4.438 3.477 ( -0.839 -5.893 2.190) 6.343 3.748 ( -2.515 9.192 -0.642) 9.552 3.875 ( -0.395 -2.591 -2.556) 3.661 4.292 ( 0.573 1.611 1.659) 2.382 4.343 ( 2.091 -2.333 2.641) 4.098 4.499 ( -2.608 4.872 1.165) 5.647 4.581 ( 0.820 -1.326 3.288) 3.639 4.702 ( 0.166 3.970 -0.095) 3.975 4.747 ( -1.737 1.315 -1.448) 2.616 4.803 ( 1.886 -4.222 0.486) 4.649 4.833 ( -0.894 -4.076 0.042) 4.173 4.908 ( 1.751 6.365 -0.331) 6.610 5.064 ( 1.273 -8.072 -1.444) 8.299 5.167 ( -0.387 2.571 -0.355) 2.624 5.185 ( -3.389 3.111 -2.292) 5.140 5.285 ( 2.969 -0.975 1.566) 3.496 5.351 ( 0.766 -4.558 1.176) 4.769 5.431 ( 0.092 3.306 -0.626) 3.366 5.491 ( 0.230 -2.978 -0.172) 2.991 5.752 ( -0.809 0.985 -0.344) 1.320 5.768 ( -0.358 -0.531 -0.344) 0.727 5.820 ( -0.699 0.455 -0.895) 1.223 5.828 ( -1.013 -0.491 -1.370) 1.773 6.034 ( 0.520 2.204 -1.414) 2.670 6.045 ( -0.914 0.150 -1.163) 1.487 6.069 ( -0.048 2.686 -0.939) 2.846 6.158 ( 1.195 -5.309 -1.927) 5.773======================= Grid point 92 (50/116) =======================q-point: (-0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( -4.905 7.665 0.966) 9.151 1.531 ( -2.624 -0.890 0.224) 2.780 1.564 ( -3.495 5.147 3.267) 7.027 1.698 ( 4.437 6.074 -1.876) 7.752 1.722 ( -3.875 -7.032 0.564) 8.049 1.818 ( 6.621 -4.534 -4.996) 9.453 2.100 ( 3.372 0.817 0.132) 3.472 2.172 ( 3.990 -4.086 -1.125) 5.821 2.288 ( -2.994 6.043 -1.165) 6.844 2.376 ( 1.616 -0.493 0.964) 1.946 2.476 ( 0.073 -0.059 -0.317) 0.331 2.498 ( 2.207 0.008 -1.284) 2.553 2.553 ( -0.498 2.769 -0.444) 2.849 2.623 ( 1.659 -1.508 -1.853) 2.909 2.748 ( 0.791 2.332 3.468) 4.253 2.856 ( 1.084 -7.645 0.463) 7.736 3.045 ( -1.321 2.280 4.674) 5.366 3.089 ( 1.310 -2.099 0.256) 2.487 3.173 ( -1.926 3.149 -0.715) 3.760 3.198 ( -3.886 2.296 2.356) 5.092 3.406 ( -1.292 0.232 3.517) 3.754 3.471 ( -0.617 -5.270 3.006) 6.098 3.674 ( -3.937 7.746 -0.011) 8.689 3.825 ( -4.066 -6.292 -0.822) 7.536 4.333 ( 2.594 2.804 2.940) 4.820 4.387 ( 1.541 -1.327 2.028) 2.872 4.450 ( -2.680 6.557 0.789) 7.127 4.585 ( -1.329 -6.387 0.428) 6.538 4.670 ( -2.671 4.920 -0.021) 5.599 4.719 ( -1.455 0.175 1.419) 2.040 4.844 ( 2.811 -1.204 -1.398) 3.362 4.856 ( 3.584 -1.810 0.109) 4.017 4.970 ( 3.822 5.752 0.376) 6.916 5.093 ( 0.542 -3.441 -2.455) 4.261 5.147 ( 0.649 1.298 -0.158) 1.460 5.176 ( 1.616 -1.975 1.521) 2.970 5.344 ( 3.110 -0.159 -0.504) 3.155 5.390 ( 3.076 -3.627 0.057) 4.756 5.421 ( -0.882 3.368 -0.360) 3.500 5.479 ( -1.481 -2.672 -0.576) 3.109 5.724 ( -1.545 1.186 -0.244) 1.963 5.744 ( -1.897 -0.751 -0.549) 2.113 5.822 ( 1.025 0.205 -1.530) 1.853 5.825 ( 0.483 -0.239 -2.354) 2.415 6.018 ( -1.196 0.642 -1.622) 2.116 6.027 ( -0.636 -0.124 -1.801) 1.914 6.085 ( 1.674 4.187 -0.280) 4.518 6.177 ( 0.937 -4.973 -0.867) 5.134======================= Grid point 93 (51/116) =======================q-point: (-0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( -2.782 13.587 1.389) 13.938 1.432 ( -5.718 11.927 2.829) 13.526 1.576 ( 2.240 -10.724 0.486) 10.966 1.651 ( -2.496 -7.675 1.959) 8.305 1.806 ( 6.111 6.505 -2.938) 9.397 1.960 ( 7.190 -8.118 -4.386) 11.698 2.161 ( 1.953 2.084 -1.948) 3.457 2.193 ( -2.005 4.478 -1.453) 5.117 2.242 ( -0.090 0.576 -1.161) 1.299 2.381 ( -0.403 -6.754 -0.053) 6.766 2.495 ( 1.582 6.301 2.083) 6.823 2.536 ( 0.503 5.734 -3.461) 6.716 2.547 ( 2.212 -1.476 -1.798) 3.210 2.665 ( 1.845 -4.467 -0.059) 4.833 2.778 ( 2.077 5.028 5.066) 7.433 2.903 ( 3.648 -6.003 2.074) 7.324 2.958 ( -7.192 9.464 7.239) 13.917 3.087 ( -1.588 -1.399 0.915) 2.305 3.148 ( 0.460 -1.183 -3.717) 3.928 3.171 ( -1.101 -1.536 -0.212) 1.901 3.353 ( -4.086 1.489 2.466) 4.999 3.453 ( -2.311 -6.479 3.426) 7.684 3.615 ( -2.823 3.642 2.075) 5.054 3.731 ( -5.559 -8.297 2.468) 10.287 4.382 ( 0.018 2.422 0.169) 2.428 4.394 ( 0.660 2.080 2.964) 3.681 4.428 ( 0.630 4.804 0.660) 4.890 4.548 ( -1.637 -5.889 0.312) 6.120 4.618 ( -2.634 4.469 0.222) 5.192 4.685 ( -2.644 -2.113 2.337) 4.113 4.911 ( 3.478 0.620 -1.135) 3.711 4.924 ( 3.194 -0.778 -1.693) 3.698 5.028 ( 1.553 4.110 2.082) 4.862 5.089 ( -0.118 0.147 -0.031) 0.191 5.200 ( 3.961 0.642 0.633) 4.062 5.223 ( 2.573 -2.470 1.291) 3.793 5.390 ( 0.532 0.189 -2.359) 2.425 5.393 ( -1.821 0.498 1.453) 2.382 5.452 ( 0.907 -0.414 -2.958) 3.122 5.473 ( 5.447 -2.814 -4.379) 7.534 5.698 ( -1.210 0.550 -0.183) 1.342 5.706 ( -1.618 -0.202 -0.346) 1.667 5.821 ( -0.369 0.404 -3.318) 3.363 5.834 ( 0.341 -0.754 -2.050) 2.211 6.007 ( 0.515 1.004 -0.882) 1.433 6.021 ( 0.720 -0.374 -1.256) 1.496 6.119 ( 1.604 3.266 0.340) 3.654 6.188 ( 0.275 -3.747 0.115) 3.759======================= Grid point 94 (52/116) =======================q-point: (-0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( -0.246 16.620 3.792) 17.048 1.362 ( -1.625 16.150 2.648) 16.446 1.590 ( -0.633 -11.947 3.848) 12.567 1.666 ( 2.740 -13.656 0.120) 13.929 1.901 ( 4.165 7.893 -3.144) 9.462 2.055 ( 3.556 -7.445 -4.230) 9.271 2.120 ( -1.588 2.413 -3.541) 4.570 2.172 ( -2.090 -1.687 -1.287) 2.979 2.260 ( 1.873 4.961 -0.894) 5.378 2.384 ( 0.126 -4.652 -0.258) 4.661 2.513 ( 0.134 9.033 0.714) 9.062 2.550 ( 1.903 3.710 -5.525) 6.922 2.590 ( 1.833 0.545 -1.044) 2.178 2.676 ( -0.380 -3.001 0.338) 3.044 2.839 ( -5.360 11.967 7.108) 14.915 2.855 ( 2.625 5.854 6.917) 9.435 2.994 ( 3.644 -5.318 3.775) 7.470 3.051 ( -1.729 0.418 1.256) 2.178 3.127 ( -1.270 -2.743 -0.878) 3.148 3.191 ( 3.833 -7.891 -1.653) 8.927 3.281 ( -3.253 1.636 -0.816) 3.732 3.387 ( -4.937 -8.706 1.617) 10.138 3.556 ( -3.891 1.816 3.418) 5.488 3.640 ( -4.307 -7.991 4.499) 10.132 4.365 ( -0.084 4.492 0.091) 4.493 4.435 ( 1.428 -1.435 -1.499) 2.519 4.449 ( 1.752 5.532 3.856) 6.967 4.539 ( 0.017 -1.804 2.026) 2.713 4.572 ( -2.138 1.812 0.448) 2.838 4.630 ( -3.458 -2.809 2.659) 5.188 4.956 ( 1.530 1.131 -1.036) 2.166 4.970 ( 1.995 0.053 -2.463) 3.170 5.038 ( -0.499 2.298 1.888) 3.016 5.085 ( -0.488 -0.761 2.362) 2.529 5.254 ( -0.095 0.308 0.344) 0.471 5.265 ( 1.432 -0.126 1.183) 1.862 5.356 ( -1.008 0.298 -0.959) 1.423 5.385 ( 0.730 -1.875 -1.762) 2.675 5.492 ( 2.251 2.544 -4.889) 5.953 5.553 ( 2.785 -3.347 -5.266) 6.833 5.678 ( -0.329 0.647 -0.908) 1.162 5.687 ( -0.473 -0.370 -0.090) 0.607 5.815 ( 1.216 1.217 -3.979) 4.335 5.839 ( 1.505 -1.183 -3.732) 4.195 6.026 ( 0.943 1.191 1.008) 1.823 6.044 ( 1.312 -0.511 0.070) 1.410 6.143 ( 0.704 2.071 0.516) 2.248 6.185 ( -0.705 -2.246 0.711) 2.458======================= Grid point 119 (53/116) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( 2.358 0.000 18.857) 19.004 0.894 ( -0.537 0.000 20.059) 20.066 1.545 ( -0.143 0.000 30.066) 30.066 1.706 ( -3.897 0.000 -7.996) 8.895 1.828 ( -0.288 0.000 -5.105) 5.113 1.992 ( 2.653 0.000 4.725) 5.419 2.123 ( -3.122 0.000 2.372) 3.921 2.236 ( 4.043 0.000 1.614) 4.353 2.357 ( 0.750 0.000 -2.070) 2.202 2.406 ( 0.595 0.000 -2.959) 3.018 2.506 ( -0.684 0.000 0.204) 0.714 2.540 ( -1.440 0.000 -4.500) 4.724 2.584 ( 1.189 0.000 0.100) 1.193 2.685 ( 3.400 0.000 1.309) 3.643 2.734 ( 1.128 0.000 -2.235) 2.503 2.824 ( -1.716 0.000 -1.942) 2.592 3.062 ( 0.939 0.000 5.951) 6.025 3.065 ( -1.977 0.000 1.959) 2.783 3.113 ( 3.505 0.000 3.559) 4.995 3.190 ( -0.462 0.000 -0.032) 0.463 3.451 ( -5.110 0.000 -1.187) 5.246 3.544 ( 5.471 0.000 -4.899) 7.344 3.662 ( -3.819 0.000 -9.314) 10.067 3.948 ( -0.657 0.000 -8.914) 8.938 4.199 ( 0.268 0.000 5.274) 5.281 4.222 ( -1.717 0.000 0.370) 1.757 4.276 ( 5.141 0.000 -1.255) 5.292 4.586 ( -0.175 0.000 -3.750) 3.754 4.592 ( -5.525 0.000 6.695) 8.680 4.803 ( 0.577 0.000 6.560) 6.586 4.827 ( 4.367 0.000 -1.542) 4.631 4.908 ( 2.184 0.000 -2.885) 3.619 4.935 ( -0.360 0.000 -0.072) 0.367 5.057 ( -1.068 0.000 1.624) 1.944 5.145 ( -1.935 0.000 0.906) 2.136 5.235 ( -4.179 0.000 -3.816) 5.659 5.355 ( -1.059 0.000 -0.146) 1.069 5.438 ( -0.340 0.000 0.274) 0.436 5.533 ( 1.007 0.000 2.515) 2.709 5.615 ( 1.785 0.000 -2.721) 3.254 5.662 ( 1.037 0.000 0.451) 1.130 5.740 ( 1.048 0.000 1.560) 1.879 5.814 ( 3.288 0.000 -0.559) 3.335 5.820 ( -0.907 0.000 -2.290) 2.463 6.001 ( 1.220 0.000 -0.223) 1.241 6.036 ( -0.653 0.000 -1.121) 1.297 6.095 ( 1.772 0.000 2.895) 3.394 6.185 ( -3.916 0.000 0.388) 3.935======================= Grid point 120 (54/116) =======================q-point: ( 0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 3.247 0.000 15.637) 15.971 1.010 ( 7.725 0.000 16.653) 18.358 1.567 ( -7.691 0.000 -7.240) 10.563 1.707 ( 9.529 0.000 20.645) 22.739 1.842 ( 2.674 0.000 -4.552) 5.279 2.019 ( -0.797 0.000 2.963) 3.068 2.072 ( -2.687 0.000 7.718) 8.172 2.308 ( 2.438 0.000 4.474) 5.095 2.363 ( 0.378 0.000 -1.809) 1.848 2.384 ( -1.538 0.000 -3.501) 3.824 2.475 ( -2.518 0.000 2.440) 3.506 2.540 ( 3.016 0.000 -9.219) 9.700 2.547 ( -5.373 0.000 1.931) 5.709 2.751 ( -0.846 0.000 -3.946) 4.035 2.778 ( 4.955 0.000 2.741) 5.663 2.801 ( 0.728 0.000 0.156) 0.745 3.031 ( -3.727 0.000 3.706) 5.256 3.048 ( -0.806 0.000 0.532) 0.965 3.166 ( 1.314 0.000 2.988) 3.264 3.190 ( -1.986 0.000 3.435) 3.968 3.383 ( 0.142 0.000 -3.756) 3.758 3.583 ( -0.971 0.000 -3.238) 3.381 3.597 ( -0.196 0.000 -12.193) 12.194 3.888 ( -3.207 0.000 -7.091) 7.782 4.198 ( -0.701 0.000 0.159) 0.719 4.211 ( 0.024 0.000 4.868) 4.868 4.375 ( 4.768 0.000 -3.027) 5.648 4.498 ( -5.029 0.000 8.040) 9.483 4.591 ( 1.492 0.000 -4.043) 4.310 4.828 ( 0.298 0.000 8.504) 8.509 4.892 ( 2.184 0.000 -2.642) 3.428 4.945 ( 1.116 0.000 -2.564) 2.796 4.957 ( 3.293 0.000 -1.721) 3.715 5.008 ( -3.031 0.000 3.647) 4.742 5.103 ( -2.304 0.000 0.459) 2.349 5.148 ( -3.247 0.000 -2.256) 3.954 5.333 ( -1.923 0.000 1.615) 2.511 5.430 ( -0.876 0.000 -1.817) 2.017 5.565 ( 1.412 0.000 3.247) 3.541 5.620 ( -0.046 0.000 -2.008) 2.009 5.687 ( 1.458 0.000 1.000) 1.768 5.776 ( 1.280 0.000 0.407) 1.343 5.813 ( 0.928 0.000 -1.933) 2.144 5.881 ( 3.249 0.000 -3.279) 4.616 6.013 ( -0.911 0.000 -1.768) 1.989 6.017 ( 0.474 0.000 0.069) 0.479 6.118 ( -0.001 0.000 3.312) 3.312 6.122 ( -2.334 0.000 -0.261) 2.349======================= Grid point 121 (55/116) =======================q-point: ( 0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 9.062 0.000 7.864) 11.998 1.206 ( 8.196 0.000 9.379) 12.456 1.426 ( -4.519 0.000 -2.853) 5.344 1.842 ( 0.673 0.000 -3.234) 3.303 1.908 ( 2.650 0.000 1.907) 3.265 1.978 ( -4.208 0.000 3.680) 5.590 2.130 ( 7.867 0.000 20.195) 21.673 2.290 ( -6.523 0.000 1.025) 6.603 2.346 ( -1.511 0.000 -4.562) 4.806 2.366 ( 0.275 0.000 -1.322) 1.350 2.432 ( -2.400 0.000 4.061) 4.717 2.476 ( 0.550 0.000 6.904) 6.926 2.613 ( 6.318 0.000 -9.939) 11.777 2.697 ( -4.258 0.000 0.296) 4.268 2.792 ( -3.033 0.000 0.971) 3.185 2.869 ( 3.595 0.000 4.423) 5.700 2.974 ( -2.621 0.000 3.098) 4.058 3.020 ( -2.062 0.000 -0.520) 2.126 3.132 ( -2.497 0.000 0.302) 2.515 3.179 ( -0.435 0.000 -0.233) 0.493 3.424 ( 3.159 0.000 -2.686) 4.146 3.490 ( -7.496 0.000 -2.633) 7.945 3.616 ( 4.865 0.000 -14.212) 15.021 3.813 ( -3.304 0.000 -4.110) 5.273 4.198 ( 0.528 0.000 0.983) 1.116 4.213 ( -1.157 0.000 4.466) 4.613 4.396 ( -1.998 0.000 5.416) 5.773 4.491 ( 3.026 0.000 -0.961) 3.175 4.626 ( 3.048 0.000 -5.153) 5.987 4.843 ( -0.856 0.000 9.206) 9.246 4.903 ( -0.146 0.000 -3.021) 3.024 4.921 ( -2.999 0.000 3.080) 4.299 4.986 ( -0.099 0.000 -3.945) 3.946 5.011 ( 2.272 0.000 -1.840) 2.924 5.066 ( -2.313 0.000 -1.731) 2.889 5.130 ( 2.195 0.000 1.745) 2.804 5.295 ( -1.581 0.000 1.227) 2.002 5.403 ( -1.175 0.000 -1.465) 1.878 5.582 ( -0.587 0.000 2.750) 2.812 5.616 ( 0.174 0.000 -1.715) 1.724 5.722 ( 1.656 0.000 1.767) 2.422 5.783 ( 0.087 0.000 -1.151) 1.154 5.833 ( 0.832 0.000 -1.633) 1.832 5.894 ( -1.164 0.000 -0.719) 1.368 5.991 ( -2.070 0.000 -0.386) 2.105 6.019 ( -0.260 0.000 0.148) 0.299 6.111 ( -1.345 0.000 3.275) 3.540 6.122 ( 3.409 0.000 -5.700) 6.642======================= Grid point 122 (56/116) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 11.193 0.000 2.292) 11.425 1.272 ( -1.061 0.000 -0.517) 1.180 1.444 ( 3.311 0.000 7.586) 8.277 1.776 ( -5.051 0.000 -0.590) 5.085 1.878 ( -5.844 0.000 3.973) 7.067 1.954 ( 1.888 0.000 0.372) 1.925 2.169 ( -3.899 0.000 -0.125) 3.901 2.302 ( -1.854 0.000 -4.427) 4.799 2.356 ( 9.303 0.000 14.379) 17.126 2.371 ( 0.561 0.000 0.067) 0.565 2.413 ( 0.165 0.000 3.021) 3.025 2.554 ( 2.214 0.000 6.374) 6.748 2.588 ( -5.201 0.000 6.148) 8.052 2.712 ( -4.322 0.000 2.765) 5.130 2.715 ( 4.673 0.000 -7.316) 8.681 2.916 ( -1.128 0.000 5.045) 5.169 2.928 ( -2.618 0.000 0.240) 2.629 2.979 ( -1.313 0.000 -1.733) 2.175 3.133 ( 2.343 0.000 -2.747) 3.611 3.149 ( -1.062 0.000 -3.503) 3.661 3.332 ( -7.121 0.000 -1.589) 7.296 3.472 ( 2.539 0.000 -2.189) 3.353 3.700 ( 5.852 0.000 -11.899) 13.260 3.742 ( -3.446 0.000 -2.094) 4.032 4.184 ( -2.484 0.000 4.859) 5.457 4.218 ( 1.105 0.000 2.251) 2.508 4.395 ( 0.810 0.000 6.873) 6.920 4.541 ( 2.031 0.000 -2.733) 3.405 4.678 ( 3.244 0.000 -6.666) 7.413 4.795 ( -5.465 0.000 5.279) 7.598 4.880 ( -1.444 0.000 -3.809) 4.074 4.904 ( 0.138 0.000 6.680) 6.681 4.967 ( -0.680 0.000 -3.387) 3.454 5.010 ( -2.259 0.000 -3.838) 4.454 5.036 ( 0.233 0.000 -1.727) 1.742 5.196 ( 3.326 0.000 2.270) 4.027 5.305 ( 2.638 0.000 0.098) 2.640 5.390 ( -0.014 0.000 -0.181) 0.181 5.558 ( -2.185 0.000 1.946) 2.926 5.623 ( 0.910 0.000 -1.513) 1.766 5.738 ( -0.878 0.000 1.375) 1.632 5.782 ( 0.027 0.000 -0.105) 0.109 5.830 ( -0.465 0.000 -3.166) 3.200 5.872 ( -0.346 0.000 0.541) 0.642 5.936 ( -3.074 0.000 0.508) 3.116 6.007 ( -1.112 0.000 0.233) 1.137 6.083 ( -2.129 0.000 2.333) 3.158 6.197 ( 4.910 0.000 -6.819) 8.403======================= Grid point 123 (57/116) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( -1.684 0.000 2.319) 2.866 1.367 ( -3.438 0.000 0.819) 3.534 1.463 ( -2.600 0.000 5.264) 5.871 1.748 ( 4.674 0.000 0.124) 4.675 1.838 ( 1.307 0.000 2.791) 3.082 1.968 ( -0.985 0.000 5.799) 5.882 2.136 ( -1.143 0.000 2.508) 2.756 2.260 ( -1.452 0.000 -3.591) 3.874 2.369 ( -4.100 0.000 6.230) 7.458 2.430 ( 1.770 0.000 0.672) 1.893 2.459 ( -0.462 0.000 -0.386) 0.602 2.524 ( 3.237 0.000 3.228) 4.571 2.626 ( -1.269 0.000 2.359) 2.679 2.684 ( -6.375 0.000 -1.105) 6.470 2.718 ( 4.915 0.000 8.073) 9.451 2.846 ( -3.398 0.000 5.227) 6.234 2.882 ( -2.043 0.000 -0.828) 2.205 2.974 ( -1.009 0.000 -0.192) 1.027 3.181 ( 2.847 0.000 -3.705) 4.672 3.190 ( 3.563 0.000 -3.238) 4.815 3.239 ( 0.516 0.000 -5.741) 5.764 3.516 ( 2.363 0.000 -1.356) 2.725 3.676 ( -2.660 0.000 -2.920) 3.950 3.775 ( 4.108 0.000 -8.736) 9.654 4.151 ( -1.967 0.000 5.701) 6.031 4.244 ( 0.940 0.000 3.071) 3.211 4.441 ( 1.552 0.000 6.955) 7.126 4.546 ( -0.798 0.000 -1.818) 1.985 4.708 ( 1.176 0.000 -7.875) 7.962 4.709 ( -3.110 0.000 3.198) 4.461 4.831 ( -2.590 0.000 -5.415) 6.003 4.924 ( 0.160 0.000 7.032) 7.034 4.943 ( -1.442 0.000 -1.757) 2.273 4.994 ( 1.758 0.000 -3.633) 4.036 5.021 ( -1.018 0.000 -1.308) 1.658 5.252 ( 1.973 0.000 1.163) 2.290 5.378 ( 4.189 0.000 -0.311) 4.200 5.398 ( 0.755 0.000 0.319) 0.820 5.515 ( -2.384 0.000 1.405) 2.767 5.643 ( 1.237 0.000 -0.866) 1.511 5.698 ( -2.863 0.000 0.791) 2.971 5.790 ( 0.527 0.000 0.587) 0.789 5.813 ( -0.061 0.000 -3.033) 3.033 5.861 ( -2.117 0.000 0.237) 2.130 5.911 ( 1.166 0.000 1.180) 1.659 5.978 ( -1.791 0.000 0.113) 1.795 6.040 ( -2.620 0.000 0.666) 2.704 6.267 ( 3.484 0.000 -5.690) 6.672======================= Grid point 124 (58/116) =======================q-point: (-0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( -13.795 0.000 1.744) 13.905 1.236 ( -0.493 0.000 3.012) 3.052 1.406 ( -2.393 0.000 3.477) 4.221 1.819 ( -2.293 0.000 3.064) 3.827 1.904 ( 3.587 0.000 3.996) 5.370 2.010 ( 5.201 0.000 11.334) 12.470 2.089 ( -3.762 0.000 4.047) 5.526 2.231 ( -1.053 0.000 -3.189) 3.358 2.305 ( -1.361 0.000 2.641) 2.971 2.369 ( -12.158 0.000 0.775) 12.182 2.484 ( 2.482 0.000 -2.959) 3.862 2.525 ( 3.062 0.000 0.122) 3.064 2.637 ( 4.125 0.000 2.280) 4.713 2.660 ( -0.268 0.000 4.530) 4.538 2.809 ( 1.364 0.000 -0.272) 1.391 2.836 ( 0.647 0.000 5.316) 5.355 2.856 ( -0.032 0.000 6.210) 6.210 2.907 ( -4.698 0.000 -3.697) 5.978 3.195 ( 2.127 0.000 -4.902) 5.344 3.219 ( 1.929 0.000 -3.998) 4.439 3.335 ( 3.494 0.000 -4.820) 5.953 3.553 ( 1.529 0.000 -0.424) 1.587 3.655 ( 3.170 0.000 -7.718) 8.344 3.820 ( 2.102 0.000 -6.389) 6.726 4.134 ( -1.011 0.000 6.500) 6.578 4.263 ( 0.312 0.000 3.015) 3.031 4.403 ( -5.743 0.000 2.199) 6.149 4.585 ( 4.277 0.000 5.201) 6.734 4.693 ( -0.783 0.000 -7.879) 7.918 4.696 ( 0.701 0.000 1.274) 1.454 4.772 ( -2.067 0.000 -5.655) 6.021 4.909 ( -1.655 0.000 -1.416) 2.178 4.932 ( -0.789 0.000 6.992) 7.037 5.007 ( 0.040 0.000 -0.942) 0.943 5.048 ( 4.012 0.000 -2.218) 4.584 5.277 ( 0.472 0.000 0.490) 0.680 5.421 ( 1.825 0.000 -0.528) 1.900 5.429 ( -0.072 0.000 -0.439) 0.445 5.488 ( 0.374 0.000 0.647) 0.748 5.652 ( -0.795 0.000 0.594) 0.993 5.655 ( -1.543 0.000 1.891) 2.441 5.779 ( -0.753 0.000 -2.673) 2.777 5.816 ( -2.258 0.000 -0.298) 2.277 5.847 ( 2.889 0.000 1.546) 3.276 5.947 ( -1.056 0.000 -0.904) 1.390 5.953 ( 2.481 0.000 1.006) 2.677 5.990 ( -2.379 0.000 -0.486) 2.428 6.304 ( 1.482 0.000 -4.404) 4.647======================= Grid point 125 (59/116) =======================q-point: (-0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( -12.913 0.000 6.070) 14.269 1.137 ( -10.578 0.000 11.692) 15.767 1.493 ( 10.488 0.000 -4.326) 11.346 1.722 ( -8.285 0.000 14.881) 17.032 1.939 ( -0.949 0.000 6.204) 6.276 2.028 ( -8.303 0.000 5.349) 9.877 2.084 ( 2.963 0.000 0.482) 3.002 2.214 ( -1.238 0.000 -0.473) 1.325 2.250 ( 2.991 0.000 4.197) 5.154 2.311 ( 1.173 0.000 0.397) 1.239 2.523 ( 1.545 0.000 -3.342) 3.682 2.541 ( -0.018 0.000 -0.395) 0.396 2.634 ( -2.589 0.000 2.856) 3.855 2.765 ( -6.091 0.000 -1.615) 6.301 2.779 ( 2.874 0.000 1.192) 3.111 2.790 ( 3.614 0.000 -0.943) 3.735 2.882 ( 0.206 0.000 6.971) 6.974 2.919 ( 4.256 0.000 1.142) 4.407 3.235 ( 0.453 0.000 -3.655) 3.683 3.258 ( 1.972 0.000 -8.487) 8.713 3.301 ( -1.147 0.000 -1.642) 2.003 3.567 ( -0.234 0.000 0.142) 0.274 3.778 ( 9.762 0.000 -10.978) 14.691 3.822 ( -0.869 0.000 -5.827) 5.891 4.138 ( 0.030 0.000 6.667) 6.668 4.267 ( -0.485 0.000 2.445) 2.493 4.296 ( -5.103 0.000 1.954) 5.465 4.653 ( -1.663 0.000 -6.572) 6.779 4.664 ( 1.678 0.000 5.586) 5.833 4.729 ( 2.124 0.000 2.694) 3.430 4.740 ( 0.000 0.000 -4.221) 4.221 4.881 ( -0.625 0.000 -2.145) 2.234 4.942 ( 1.164 0.000 5.634) 5.753 5.008 ( -0.330 0.000 -0.801) 0.866 5.123 ( 3.721 0.000 -1.139) 3.892 5.276 ( -0.283 0.000 -0.062) 0.289 5.397 ( -1.757 0.000 0.156) 1.764 5.472 ( 3.739 0.000 -1.632) 4.079 5.513 ( 1.252 0.000 -0.848) 1.512 5.599 ( -4.947 0.000 1.843) 5.279 5.648 ( 0.003 0.000 2.435) 2.435 5.761 ( -0.565 0.000 -2.623) 2.684 5.777 ( -1.648 0.000 0.929) 1.892 5.883 ( -0.637 0.000 0.773) 1.002 5.946 ( 1.049 0.000 -1.065) 1.494 5.976 ( 2.074 0.000 0.399) 2.112 6.001 ( 2.277 0.000 0.200) 2.286 6.304 ( -0.791 0.000 -3.276) 3.370======================= Grid point 126 (60/116) =======================q-point: (-0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( -3.265 0.000 14.743) 15.100 0.958 ( -9.512 0.000 17.654) 20.053 1.590 ( -9.038 0.000 27.037) 28.507 1.688 ( 8.280 0.000 -7.548) 11.203 1.884 ( -5.170 0.000 -1.732) 5.452 1.938 ( 0.448 0.000 5.885) 5.902 2.156 ( 3.987 0.000 -0.181) 3.991 2.175 ( -2.461 0.000 0.091) 2.463 2.339 ( 1.498 0.000 -1.203) 1.921 2.351 ( 4.677 0.000 2.925) 5.516 2.521 ( -0.844 0.000 -1.944) 2.120 2.549 ( 1.362 0.000 -0.533) 1.463 2.587 ( -2.533 0.000 -0.006) 2.533 2.675 ( -2.327 0.000 -1.811) 2.949 2.746 ( -1.627 0.000 -0.530) 1.711 2.852 ( -0.616 0.000 -1.864) 1.963 2.969 ( 6.180 0.000 7.819) 9.966 3.016 ( 5.091 0.000 2.765) 5.793 3.147 ( -6.197 0.000 -0.509) 6.218 3.220 ( -1.361 0.000 -2.600) 2.935 3.416 ( 8.305 0.000 -6.510) 10.552 3.536 ( -3.126 0.000 -0.029) 3.126 3.760 ( -3.975 0.000 -7.104) 8.140 3.920 ( 6.140 0.000 -11.018) 12.614 4.166 ( 1.649 0.000 5.601) 5.839 4.233 ( -1.381 0.000 2.149) 2.554 4.253 ( -1.443 0.000 1.429) 2.031 4.610 ( -1.380 0.000 -4.627) 4.828 4.663 ( -2.700 0.000 4.794) 5.502 4.759 ( 2.725 0.000 -2.545) 3.728 4.773 ( 1.341 0.000 5.784) 5.938 4.881 ( 1.158 0.000 -2.998) 3.214 4.963 ( -1.861 0.000 0.658) 1.974 5.020 ( 3.271 0.000 1.574) 3.630 5.164 ( 0.250 0.000 0.286) 0.380 5.277 ( 0.368 0.000 -2.576) 2.602 5.378 ( -0.670 0.000 -0.806) 1.048 5.488 ( -5.096 0.000 1.326) 5.266 5.523 ( -0.019 0.000 -0.048) 0.052 5.555 ( 4.097 0.000 -1.606) 4.401 5.650 ( 0.028 0.000 0.538) 0.538 5.743 ( -0.862 0.000 -0.874) 1.227 5.771 ( 0.787 0.000 3.105) 3.203 5.850 ( -1.854 0.000 -1.098) 2.155 5.973 ( 1.691 0.000 -0.716) 1.836 6.034 ( 1.038 0.000 -0.617) 1.208 6.040 ( 3.282 0.000 2.155) 3.927 6.259 ( -3.245 0.000 -1.677) 3.653======================= Grid point 127 (61/116) =======================q-point: ( 0.00 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( 2.177 10.073 16.161) 19.167 0.991 ( 0.189 9.087 16.523) 18.858 1.640 ( -0.793 5.563 9.545) 11.076 1.758 ( -1.436 7.314 3.547) 8.255 1.883 ( 0.118 5.188 -3.767) 6.413 2.014 ( 1.627 3.134 6.515) 7.410 2.123 ( -2.585 -0.507 1.071) 2.844 2.172 ( 3.959 -6.272 1.903) 7.657 2.305 ( -0.347 -7.552 -1.179) 7.651 2.340 ( -0.113 -1.859 -2.373) 3.016 2.464 ( -0.805 -4.053 -3.004) 5.108 2.506 ( -1.123 -1.089 1.601) 2.238 2.573 ( 1.267 -1.289 -1.324) 2.241 2.686 ( 1.907 0.052 2.946) 3.510 2.797 ( -1.027 0.111 -4.039) 4.169 2.854 ( -0.092 5.991 -2.093) 6.347 2.981 ( 1.321 -2.056 3.416) 4.200 3.123 ( 1.475 1.454 3.101) 3.729 3.134 ( -2.189 -1.404 -1.320) 2.916 3.225 ( 2.338 5.100 5.562) 7.900 3.421 ( -1.811 -2.994 -0.923) 3.619 3.520 ( 1.426 -2.435 -3.563) 4.545 3.596 ( -4.351 -5.145 -6.569) 9.411 3.947 ( 1.458 -1.366 -7.387) 7.652 4.213 ( -0.025 4.305 -0.391) 4.323 4.260 ( 1.703 0.754 -0.450) 1.916 4.313 ( 0.024 5.169 3.518) 6.253 4.572 ( -5.077 -0.189 5.968) 7.837 4.667 ( 0.849 1.092 2.055) 2.477 4.816 ( 3.632 -2.349 -0.311) 4.336 4.857 ( 0.365 6.741 -0.518) 6.771 4.877 ( 1.254 0.290 -1.836) 2.242 4.969 ( 0.251 2.092 -1.902) 2.839 5.070 ( -3.261 0.408 0.375) 3.308 5.131 ( 0.117 -0.037 2.208) 2.211 5.243 ( -3.850 0.699 -3.124) 5.007 5.363 ( -0.825 0.535 -0.946) 1.364 5.415 ( -0.157 -2.088 0.332) 2.120 5.513 ( 1.028 -2.640 2.314) 3.658 5.603 ( 0.762 -0.789 -3.170) 3.354 5.631 ( 1.910 -3.534 0.022) 4.017 5.722 ( 0.733 -0.764 1.181) 1.586 5.773 ( 1.612 -1.494 -1.651) 2.749 5.833 ( 1.281 -0.810 -3.460) 3.778 6.026 ( 0.920 2.126 0.059) 2.317 6.061 ( -0.304 2.051 -0.744) 2.203 6.094 ( 1.461 0.006 2.948) 3.291 6.186 ( -3.526 0.119 0.349) 3.545======================= Grid point 128 (62/116) =======================q-point: ( 0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 2.152 8.871 13.428) 16.237 1.095 ( 6.697 8.149 14.147) 17.646 1.597 ( -4.719 3.314 -6.010) 8.329 1.803 ( 4.283 6.559 6.303) 10.055 1.906 ( 2.587 6.525 1.966) 7.290 2.023 ( -1.816 1.322 3.331) 4.018 2.088 ( -0.664 1.636 7.835) 8.031 2.256 ( 3.128 -5.236 4.925) 7.839 2.307 ( 1.279 -8.685 -2.855) 9.231 2.321 ( -1.116 -2.656 -1.528) 3.261 2.435 ( -2.348 -2.681 -2.174) 4.174 2.495 ( 0.438 -0.298 -0.592) 0.795 2.554 ( -2.690 -1.401 -1.416) 3.348 2.739 ( -2.622 -2.994 -0.206) 3.985 2.767 ( 3.890 -0.380 3.430) 5.200 2.851 ( -0.797 2.842 -2.165) 3.660 2.989 ( -1.122 0.168 0.357) 1.189 3.085 ( -2.174 -0.842 -0.189) 2.339 3.158 ( 1.040 1.102 2.767) 3.155 3.245 ( -2.316 3.818 6.261) 7.690 3.383 ( -0.314 -0.160 -2.513) 2.538 3.517 ( 0.278 -4.771 -8.200) 9.491 3.564 ( 1.425 -2.451 -4.061) 4.952 3.924 ( -2.314 1.688 -6.017) 6.664 4.208 ( 0.108 3.463 -0.079) 3.466 4.291 ( 0.169 3.289 1.277) 3.532 4.354 ( 4.085 0.674 -0.609) 4.184 4.484 ( -5.030 1.516 6.633) 8.462 4.690 ( 0.994 1.309 2.267) 2.800 4.846 ( -0.432 5.325 2.247) 5.795 4.891 ( 2.247 -3.640 -1.254) 4.458 4.914 ( 3.275 0.201 -2.250) 3.979 4.958 ( -1.273 1.139 -3.860) 4.221 5.006 ( -2.198 -0.549 3.343) 4.038 5.119 ( -1.600 1.843 1.521) 2.875 5.160 ( -3.408 1.084 -1.610) 3.922 5.343 ( -1.580 0.613 0.205) 1.708 5.411 ( -0.822 -1.892 -1.407) 2.496 5.537 ( 0.565 -3.541 1.449) 3.867 5.599 ( 0.229 -1.433 -1.501) 2.088 5.687 ( 2.880 -1.988 0.670) 3.563 5.738 ( 0.923 -2.460 0.388) 2.656 5.792 ( 0.967 0.705 -2.043) 2.368 5.887 ( 4.310 -1.240 -5.286) 6.933 6.029 ( -0.738 1.677 0.685) 1.956 6.038 ( -1.617 1.845 -0.908) 2.616 6.114 ( -0.111 -0.440 3.343) 3.374 6.128 ( -2.143 0.530 -0.360) 2.237======================= Grid point 129 (63/116) =======================q-point: ( 0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 6.456 5.211 7.015) 10.865 1.273 ( 8.192 6.389 9.527) 14.096 1.487 ( -4.368 6.174 -3.852) 8.487 1.856 ( -0.186 1.263 -4.064) 4.260 1.924 ( -2.482 -0.554 2.551) 3.602 1.988 ( -0.899 2.567 3.507) 4.438 2.147 ( 0.766 -0.341 9.928) 9.963 2.257 ( -2.099 -4.391 0.243) 4.873 2.320 ( 2.205 3.223 3.855) 5.488 2.364 ( 3.271 -4.248 -0.766) 5.416 2.386 ( -0.144 -5.263 2.134) 5.681 2.472 ( -3.072 1.586 3.606) 4.996 2.552 ( 3.558 -2.780 -6.015) 7.521 2.669 ( -4.487 -4.092 1.770) 6.325 2.797 ( -4.319 -0.871 0.481) 4.432 2.864 ( 4.377 0.092 5.155) 6.763 2.953 ( -1.932 -0.032 -2.803) 3.404 3.058 ( -0.517 0.379 -0.813) 1.036 3.158 ( -2.777 4.191 2.880) 5.794 3.197 ( -0.631 0.179 0.978) 1.178 3.384 ( -0.029 -2.662 -2.381) 3.572 3.522 ( -1.322 2.836 -1.499) 3.469 3.598 ( 5.222 -0.572 -9.851) 11.164 3.848 ( -4.080 2.265 -3.865) 6.060 4.218 ( 0.623 2.931 1.398) 3.307 4.283 ( -1.046 5.161 1.661) 5.522 4.407 ( -1.387 -1.698 5.521) 5.940 4.451 ( 3.400 2.719 -1.488) 4.601 4.711 ( 0.670 0.288 1.117) 1.334 4.834 ( -1.270 4.262 2.412) 5.059 4.899 ( -2.044 -1.334 1.577) 2.906 4.917 ( -0.975 0.198 -2.161) 2.379 4.980 ( 3.594 -3.085 -4.312) 6.406 4.994 ( -0.390 -0.686 -0.203) 0.815 5.084 ( -2.209 2.707 0.429) 3.520 5.129 ( 0.490 0.278 1.637) 1.731 5.313 ( -0.874 1.357 -0.147) 1.621 5.384 ( -1.288 -1.941 -1.154) 2.600 5.539 ( -0.290 -4.124 0.128) 4.136 5.602 ( -0.065 -1.282 0.365) 1.334 5.730 ( 1.361 0.058 1.110) 1.757 5.760 ( 1.153 -4.302 -0.765) 4.520 5.804 ( 0.676 1.703 -1.504) 2.371 5.928 ( -0.372 0.844 -2.744) 2.895 5.995 ( -2.909 0.483 0.050) 2.949 6.018 ( 0.217 0.158 -0.179) 0.323 6.107 ( -1.191 -0.467 2.992) 3.254 6.119 ( 2.022 -0.149 -4.405) 4.849======================= Grid point 130 (64/116) =======================q-point: ( 0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 7.763 1.602 1.359) 8.042 1.372 ( 0.527 7.616 0.997) 7.699 1.477 ( 3.124 3.244 6.041) 7.535 1.782 ( -5.543 0.543 -0.455) 5.588 1.848 ( -4.113 -2.199 3.609) 5.897 2.002 ( -0.682 3.998 0.123) 4.057 2.095 ( -2.177 -5.042 2.953) 6.235 2.237 ( -0.984 -4.617 -1.805) 5.054 2.378 ( 0.872 -1.318 -1.527) 2.197 2.420 ( 0.666 2.847 5.246) 6.006 2.440 ( 3.147 2.685 2.778) 4.983 2.464 ( 2.426 -7.781 6.059) 10.156 2.533 ( -4.564 -4.007 3.660) 7.091 2.663 ( 3.846 -3.389 -3.696) 6.320 2.716 ( -2.932 -1.227 2.444) 4.009 2.889 ( -2.564 0.606 -3.670) 4.517 2.959 ( 2.610 1.239 5.273) 6.012 3.039 ( -1.451 3.378 -0.727) 3.748 3.141 ( 1.923 1.773 -2.000) 3.293 3.199 ( 0.282 2.870 -2.090) 3.561 3.350 ( -4.011 2.207 1.237) 4.742 3.484 ( -0.431 1.784 -1.083) 2.131 3.693 ( 5.399 0.501 -8.585) 10.154 3.763 ( -3.772 1.108 -2.054) 4.436 4.222 ( -1.018 3.868 3.243) 5.149 4.273 ( 0.201 4.608 1.679) 4.909 4.409 ( 0.796 0.860 6.172) 6.282 4.517 ( 2.940 0.452 -2.676) 4.001 4.713 ( -0.781 -2.014 0.786) 2.299 4.794 ( -3.297 3.101 -1.862) 4.894 4.848 ( -2.048 -1.268 1.460) 2.816 4.915 ( 0.182 -0.119 -0.088) 0.235 4.971 ( -0.681 -0.694 -1.682) 1.943 5.021 ( -0.939 -0.666 -1.428) 1.834 5.049 ( 0.161 3.122 -2.944) 4.294 5.170 ( 2.850 -1.899 2.507) 4.244 5.325 ( 2.131 1.456 -0.475) 2.624 5.370 ( 0.023 -1.894 0.212) 1.906 5.525 ( -1.410 -3.228 1.063) 3.680 5.604 ( 0.494 -1.732 -0.008) 1.801 5.739 ( -0.560 0.049 -0.721) 0.914 5.772 ( 0.236 -2.162 0.100) 2.177 5.816 ( 0.648 0.392 -0.797) 1.099 5.883 ( -2.880 0.379 -1.242) 3.160 5.937 ( -2.569 0.444 0.409) 2.639 6.018 ( -0.476 0.732 -0.595) 1.057 6.080 ( -2.064 -0.254 2.227) 3.047 6.178 ( 4.456 -1.810 -6.247) 7.884======================= Grid point 131 (65/116) =======================q-point: (-0.50 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -1.108 5.493 2.020) 5.957 1.373 ( -3.589 1.306 1.241) 4.016 1.515 ( -2.648 4.243 3.865) 6.321 1.741 ( 5.046 -1.113 -0.207) 5.171 1.836 ( 1.192 -0.723 4.485) 4.697 1.935 ( -4.928 -3.555 4.896) 7.804 2.120 ( 1.929 0.258 3.126) 3.682 2.208 ( -1.379 -3.364 -0.897) 3.745 2.355 ( -5.807 -3.327 0.848) 6.746 2.406 ( 2.593 -1.768 -0.314) 3.154 2.451 ( 1.002 1.183 0.098) 1.553 2.486 ( -1.820 -5.778 0.631) 6.091 2.583 ( 3.888 -2.809 4.415) 6.519 2.636 ( -3.104 0.354 3.208) 4.479 2.756 ( 2.211 -1.909 -0.049) 2.921 2.847 ( -0.115 1.755 -2.837) 3.338 2.987 ( -0.156 1.403 -1.521) 2.075 3.024 ( -1.114 8.245 5.839) 10.164 3.162 ( 0.335 1.047 -3.448) 3.619 3.219 ( -0.672 2.898 -0.432) 3.006 3.288 ( 2.295 4.382 -1.726) 5.239 3.505 ( 1.797 -1.157 -0.513) 2.197 3.681 ( -2.996 0.507 -3.010) 4.276 3.776 ( 3.745 0.242 -5.451) 6.618 4.204 ( -1.274 5.084 3.713) 6.423 4.289 ( 0.570 3.882 2.386) 4.592 4.458 ( 2.345 0.953 7.353) 7.776 4.534 ( -0.852 0.485 -2.203) 2.412 4.687 ( -1.300 -1.892 2.031) 3.065 4.739 ( -1.121 1.636 -6.310) 6.615 4.817 ( -1.595 -0.681 -1.786) 2.490 4.913 ( -0.513 -0.670 1.360) 1.600 4.971 ( 0.836 -1.239 -1.872) 2.395 4.981 ( -2.062 1.907 1.588) 3.227 5.051 ( 0.332 2.508 -2.982) 3.911 5.234 ( 3.090 -1.739 0.439) 3.573 5.375 ( 2.211 -1.572 -1.592) 3.146 5.380 ( 1.178 -0.321 1.697) 2.091 5.498 ( -1.289 -1.751 1.800) 2.823 5.620 ( 0.733 -1.936 0.912) 2.262 5.710 ( -1.863 0.699 -0.920) 2.192 5.781 ( 0.707 -1.040 -0.167) 1.268 5.807 ( -1.135 -0.545 -2.634) 2.919 5.829 ( -2.351 -2.145 0.287) 3.196 5.925 ( 1.250 1.448 0.830) 2.085 5.998 ( -1.389 1.263 -0.813) 2.046 6.038 ( -2.576 -0.172 0.618) 2.654 6.244 ( 3.382 -2.234 -5.225) 6.613======================= Grid point 132 (66/116) =======================q-point: (-0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -12.013 3.427 2.312) 12.704 1.303 ( -0.170 6.293 1.936) 6.586 1.439 ( -3.113 3.130 3.535) 5.656 1.782 ( -4.949 -3.880 7.050) 9.447 1.885 ( 3.383 -1.305 3.939) 5.354 1.975 ( 7.490 -2.966 2.308) 8.379 2.124 ( -1.737 2.290 5.426) 6.140 2.213 ( 1.812 -0.863 -1.356) 2.422 2.264 ( -3.460 -3.063 -0.028) 4.621 2.382 ( -7.157 -1.238 -0.407) 7.274 2.468 ( 2.132 -0.533 -2.634) 3.430 2.498 ( 3.967 -3.416 0.442) 5.254 2.597 ( -0.719 -0.328 1.803) 1.969 2.650 ( 2.494 -1.595 3.066) 4.262 2.783 ( 0.609 -2.170 3.062) 3.802 2.843 ( -1.451 1.751 -2.092) 3.090 2.948 ( -3.818 7.534 6.323) 10.550 2.995 ( -1.482 5.830 -0.486) 6.035 3.168 ( 0.948 -3.049 -3.303) 4.594 3.214 ( 2.469 1.097 -2.724) 3.837 3.380 ( 3.726 3.771 -3.754) 6.496 3.525 ( 0.634 -2.369 -0.342) 2.476 3.644 ( 0.793 -0.482 -5.135) 5.219 3.829 ( 2.678 0.655 -3.583) 4.520 4.193 ( -0.771 5.576 4.124) 6.979 4.296 ( -0.482 2.809 2.497) 3.790 4.443 ( -4.369 3.884 2.349) 6.300 4.565 ( 3.625 -1.992 4.894) 6.408 4.695 ( 1.676 0.075 0.467) 1.742 4.711 ( -0.654 0.688 -6.600) 6.668 4.783 ( -0.999 1.675 -3.607) 4.100 4.900 ( -1.137 -0.780 0.267) 1.405 4.948 ( -1.175 0.809 3.967) 4.216 4.993 ( 0.912 -0.695 -0.691) 1.339 5.070 ( 2.564 1.988 -1.837) 3.728 5.276 ( 1.157 -0.078 -0.880) 1.456 5.387 ( 0.481 -2.433 -0.142) 2.484 5.416 ( 1.178 -1.938 -1.297) 2.613 5.493 ( 0.475 0.263 1.817) 1.896 5.618 ( -1.302 -2.264 3.251) 4.170 5.683 ( -0.953 1.229 -0.155) 1.563 5.749 ( -2.700 -2.715 -3.323) 5.070 5.789 ( -0.735 -1.468 -0.947) 1.896 5.839 ( 2.679 -0.877 1.070) 3.015 5.967 ( 1.548 1.786 -0.323) 2.385 5.971 ( 0.101 1.304 -0.165) 1.318 5.989 ( -2.218 -0.059 -0.578) 2.293 6.282 ( 1.515 -2.187 -3.884) 4.708======================= Grid point 133 (67/116) =======================q-point: (-0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -10.922 6.710 6.451) 14.350 1.200 ( -10.303 5.998 11.470) 16.543 1.523 ( 9.778 2.956 -4.044) 10.987 1.721 ( -2.856 0.090 9.991) 10.391 1.919 ( -0.864 -1.174 2.832) 3.185 2.047 ( 0.927 -1.555 0.027) 1.811 2.102 ( -4.519 2.484 5.583) 7.600 2.215 ( -2.268 -1.919 0.424) 3.001 2.261 ( 3.932 3.213 3.598) 6.223 2.302 ( 0.236 -0.959 -0.639) 1.176 2.483 ( 0.170 -2.042 -2.422) 3.173 2.525 ( -0.990 -2.978 -0.492) 3.176 2.599 ( -0.711 -3.405 0.710) 3.550 2.720 ( -0.300 0.248 2.804) 2.831 2.777 ( 1.877 -0.232 2.489) 3.126 2.806 ( 0.873 -0.983 -0.191) 1.328 2.919 ( -1.384 5.382 3.139) 6.383 2.992 ( 1.923 4.571 0.313) 4.969 3.175 ( 0.022 -3.496 -3.092) 4.667 3.257 ( 0.800 -0.868 -5.488) 5.614 3.375 ( -0.527 4.082 -2.107) 4.624 3.542 ( 0.221 -2.053 -0.169) 2.071 3.693 ( 3.998 -4.139 -5.331) 7.844 3.860 ( 1.661 1.054 -5.136) 5.500 4.190 ( -0.352 5.247 3.998) 6.606 4.285 ( -1.035 2.545 2.595) 3.779 4.366 ( -3.573 5.060 1.134) 6.297 4.619 ( 0.611 -3.766 6.054) 7.156 4.688 ( -0.489 -0.263 -4.595) 4.628 4.750 ( 2.348 1.891 0.316) 3.032 4.769 ( 1.344 4.792 -3.318) 5.981 4.877 ( -0.892 0.057 -1.104) 1.421 4.958 ( 1.170 0.513 4.064) 4.260 5.009 ( 1.265 0.829 -0.389) 1.561 5.125 ( 2.509 0.532 -0.681) 2.654 5.280 ( -0.033 0.333 -1.331) 1.372 5.382 ( -0.705 -1.499 -0.543) 1.743 5.444 ( 2.112 -2.588 -1.784) 3.787 5.516 ( 1.320 0.148 0.014) 1.328 5.589 ( -3.065 -2.250 4.265) 5.714 5.651 ( -2.013 0.098 -0.180) 2.023 5.703 ( -1.059 -3.103 -1.853) 3.766 5.773 ( -0.663 -0.843 -1.635) 1.955 5.874 ( -0.413 -1.185 0.427) 1.325 5.967 ( 1.076 1.637 -0.949) 2.177 5.978 ( 1.945 0.254 0.404) 2.003 6.020 ( 2.506 1.785 0.141) 3.080 6.285 ( -0.551 -1.795 -2.635) 3.236======================= Grid point 134 (68/116) =======================q-point: (-0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( -1.971 9.804 13.326) 16.661 1.038 ( -8.130 7.685 15.791) 19.352 1.647 ( -0.476 3.516 8.411) 9.129 1.743 ( 4.297 5.616 0.067) 7.072 1.893 ( -0.925 0.636 -0.988) 1.495 1.994 ( -3.476 5.965 8.618) 11.042 2.105 ( 2.573 -4.690 0.787) 5.407 2.172 ( -2.206 -0.850 -0.438) 2.404 2.309 ( 0.432 -3.180 2.635) 4.152 2.335 ( 1.346 -0.631 -2.702) 3.084 2.484 ( 0.155 -2.873 -1.253) 3.138 2.502 ( -0.181 -3.102 1.071) 3.286 2.569 ( -1.522 -1.501 -1.060) 2.386 2.679 ( -1.402 0.789 2.648) 3.099 2.800 ( 0.813 1.722 -5.365) 5.693 2.882 ( -1.695 4.185 -0.524) 4.546 2.915 ( 4.887 -2.897 5.755) 8.087 3.068 ( 4.132 3.490 4.620) 7.113 3.155 ( -0.650 0.310 -1.841) 1.977 3.213 ( -2.342 -1.321 -2.666) 3.787 3.411 ( 2.975 -0.802 -3.154) 4.409 3.526 ( -1.315 -0.850 -0.598) 1.676 3.695 ( -3.366 -5.132 -3.694) 7.163 3.903 ( 4.203 -1.482 -8.455) 9.558 4.197 ( 0.562 3.836 2.291) 4.503 4.267 ( -1.331 4.375 1.253) 4.741 4.320 ( -1.498 4.064 2.498) 5.000 4.629 ( -1.262 -2.848 6.797) 7.477 4.664 ( -1.199 1.119 -1.764) 2.409 4.760 ( 1.730 0.016 -1.661) 2.398 4.832 ( 2.860 6.788 -0.476) 7.381 4.867 ( 0.151 0.091 -1.429) 1.440 4.973 ( -0.280 0.375 -0.555) 0.726 5.058 ( 3.350 3.547 1.055) 4.992 5.140 ( -0.854 -1.865 0.665) 2.156 5.281 ( 0.256 0.326 -2.534) 2.568 5.378 ( 0.032 -0.248 -1.218) 1.244 5.450 ( -2.332 -2.373 -0.108) 3.329 5.508 ( -1.621 -3.254 2.554) 4.443 5.569 ( 2.102 1.263 -2.836) 3.749 5.624 ( -0.502 -2.587 -0.311) 2.654 5.704 ( 0.820 -2.218 0.989) 2.563 5.758 ( -0.249 -1.088 -1.100) 1.567 5.846 ( -1.454 -0.908 -1.433) 2.234 5.998 ( 1.844 2.047 -0.282) 2.770 6.036 ( 2.840 0.081 1.683) 3.302 6.059 ( 1.542 1.942 0.005) 2.480 6.250 ( -2.654 -0.889 -1.188) 3.041======================= Grid point 135 (69/116) =======================q-point: ( 0.00 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.168 ( 1.746 14.162 10.661) 17.812 1.214 ( 1.276 13.144 11.468) 17.490 1.720 ( -1.322 3.817 -4.394) 5.969 1.865 ( 2.398 0.778 1.693) 3.037 1.978 ( 6.414 -2.511 -2.967) 7.499 1.990 ( -1.221 -4.532 0.880) 4.775 2.082 ( 0.430 -4.348 -1.375) 4.581 2.160 ( -1.179 1.684 4.651) 5.085 2.247 ( -5.430 4.006 2.198) 7.097 2.276 ( 0.986 1.177 2.286) 2.754 2.412 ( 0.543 -0.061 -1.807) 1.887 2.502 ( 0.069 0.165 -0.230) 0.291 2.543 ( -0.340 -1.445 -2.507) 2.913 2.696 ( 0.081 0.698 2.148) 2.260 2.776 ( -2.583 0.347 1.348) 2.934 2.918 ( -2.219 0.676 2.444) 3.370 3.032 ( 3.529 4.234 -4.220) 6.942 3.077 ( -2.995 -3.094 -0.143) 4.309 3.141 ( 0.716 1.135 3.491) 3.740 3.307 ( -0.091 -0.304 2.034) 2.058 3.351 ( 7.110 -1.435 2.368) 7.630 3.446 ( -2.853 -5.155 -2.557) 6.423 3.534 ( -4.888 -0.221 0.664) 4.938 3.863 ( 1.384 -7.242 -1.497) 7.524 4.305 ( 1.849 4.150 -0.896) 4.630 4.339 ( -2.146 5.821 -1.761) 6.449 4.412 ( 0.302 5.811 2.816) 6.464 4.586 ( -1.224 0.428 3.778) 3.994 4.628 ( -0.176 -2.822 6.133) 6.753 4.745 ( 0.347 -3.080 2.184) 3.792 4.900 ( 1.440 1.129 -2.970) 3.488 4.958 ( -0.163 0.768 -3.473) 3.560 5.029 ( -0.939 2.119 3.479) 4.180 5.079 ( -1.104 3.862 -2.390) 4.674 5.185 ( -0.111 4.268 0.256) 4.277 5.255 ( -3.077 0.462 -1.339) 3.387 5.346 ( 0.130 -3.219 -1.680) 3.633 5.380 ( -1.010 -0.947 0.164) 1.394 5.440 ( 1.410 -3.473 -0.380) 3.767 5.528 ( -0.334 -5.484 -2.761) 6.149 5.611 ( 1.556 0.621 -3.948) 4.289 5.696 ( 1.262 -2.304 -1.234) 2.902 5.764 ( 2.962 0.475 -2.580) 3.957 5.810 ( 1.072 -1.194 -3.818) 4.142 6.064 ( 0.589 1.597 0.690) 1.837 6.086 ( 1.292 0.413 2.317) 2.684 6.114 ( -0.442 2.080 0.570) 2.202 6.187 ( -2.677 -0.184 0.362) 2.708======================= Grid point 136 (70/116) =======================q-point: ( 0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 0.565 13.089 9.018) 15.905 1.300 ( 5.010 12.296 10.039) 16.645 1.686 ( -0.874 5.095 -5.910) 7.852 1.892 ( 0.281 1.019 -1.840) 2.122 1.953 ( -2.561 -1.352 -0.040) 2.896 2.067 ( -0.961 -0.481 -0.131) 1.082 2.100 ( 4.110 -6.259 2.278) 7.827 2.140 ( -0.855 -5.366 3.217) 6.315 2.180 ( -1.348 0.159 -1.269) 1.858 2.322 ( 2.581 4.491 3.686) 6.357 2.403 ( -1.762 0.859 -0.690) 2.078 2.500 ( 0.482 0.518 -1.884) 2.012 2.530 ( -0.390 -0.071 0.388) 0.555 2.670 ( -3.821 -3.634 -1.073) 5.381 2.772 ( 2.128 1.624 5.736) 6.330 2.859 ( -3.584 -0.540 1.191) 3.815 3.002 ( -4.429 -3.114 -0.819) 5.475 3.042 ( -0.967 -1.203 -3.491) 3.817 3.164 ( 0.593 -0.652 4.082) 4.176 3.308 ( -1.141 1.573 3.092) 3.652 3.401 ( -3.927 2.698 2.387) 5.329 3.460 ( 6.723 0.099 -4.398) 8.034 3.538 ( 5.132 -0.197 0.190) 5.140 3.883 ( 0.259 -6.534 -0.877) 6.598 4.289 ( -1.639 4.056 -2.520) 5.048 4.356 ( 2.665 4.856 0.031) 5.540 4.411 ( -1.137 3.816 2.403) 4.650 4.562 ( -1.043 4.384 2.807) 5.309 4.642 ( -0.333 -2.304 7.557) 7.908 4.780 ( 2.829 -6.085 1.084) 6.798 4.915 ( 0.047 -0.096 -2.275) 2.277 4.936 ( -0.959 1.353 -3.910) 4.247 4.983 ( -3.196 -1.045 2.264) 4.054 5.071 ( -0.010 8.329 -1.930) 8.549 5.160 ( -2.427 1.194 1.490) 3.088 5.191 ( -2.473 2.384 -0.903) 3.552 5.340 ( -0.878 -1.582 -1.809) 2.559 5.371 ( -0.337 -1.502 -0.548) 1.634 5.442 ( -0.487 -4.899 -1.412) 5.121 5.535 ( 1.103 -5.531 -0.696) 5.683 5.647 ( 2.670 -0.173 -2.443) 3.623 5.715 ( 0.991 -1.370 -0.350) 1.727 5.817 ( 2.440 1.367 -2.709) 3.894 5.850 ( 4.053 -1.771 -6.303) 7.701 6.055 ( -1.859 1.172 1.398) 2.605 6.085 ( -2.077 2.342 -0.183) 3.136 6.104 ( -0.548 -0.512 3.138) 3.226 6.138 ( -1.921 0.322 -0.193) 1.957======================= Grid point 137 (71/116) =======================q-point: ( 0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 1.436 9.631 5.218) 11.048 1.435 ( 6.327 9.757 7.921) 14.070 1.647 ( -2.451 9.014 -5.388) 10.784 1.861 ( -4.059 -4.397 1.011) 6.068 1.895 ( -2.904 1.294 -2.543) 4.071 2.034 ( -1.314 0.241 4.584) 4.775 2.124 ( -1.195 -1.632 -1.473) 2.502 2.168 ( 0.174 -2.678 -3.259) 4.222 2.192 ( 3.049 -10.058 6.286) 12.247 2.306 ( -1.965 -2.268 -3.673) 4.743 2.428 ( 3.296 2.481 3.647) 5.506 2.496 ( -1.165 0.653 0.214) 1.352 2.553 ( 1.969 2.195 -0.146) 2.952 2.569 ( -5.543 -4.046 -0.250) 6.867 2.765 ( -3.426 -1.255 1.210) 3.844 2.878 ( 4.077 0.521 5.792) 7.103 2.921 ( -2.870 -4.029 -3.840) 6.262 3.032 ( 1.075 -2.209 -3.205) 4.039 3.185 ( 1.104 0.498 4.118) 4.292 3.287 ( -2.193 7.653 5.375) 9.606 3.349 ( -0.332 -0.791 -0.940) 1.273 3.591 ( 3.714 3.769 -0.015) 5.292 3.620 ( 5.156 2.609 -2.325) 6.229 3.851 ( -3.327 -2.960 -1.280) 4.634 4.277 ( 0.830 2.306 -0.787) 2.574 4.367 ( -2.180 2.545 2.394) 4.119 4.420 ( 2.399 4.864 0.761) 5.476 4.567 ( 0.874 6.854 1.209) 7.015 4.642 ( -1.017 -3.343 6.518) 7.396 4.844 ( 2.889 -5.928 0.843) 6.648 4.887 ( -2.651 -0.745 -1.680) 3.226 4.911 ( -0.743 -0.620 -0.924) 1.338 4.924 ( -2.674 -2.440 -2.163) 4.217 5.057 ( -1.215 7.973 -2.176) 8.354 5.134 ( -0.142 1.271 1.608) 2.054 5.156 ( -1.380 2.803 0.489) 3.162 5.315 ( -0.972 -2.343 -1.253) 2.829 5.352 ( -0.671 -0.007 -1.443) 1.592 5.442 ( 0.605 -5.089 -0.759) 5.181 5.549 ( 0.176 -4.540 0.870) 4.626 5.692 ( 2.354 -1.149 -1.140) 2.857 5.735 ( 1.065 -0.270 -1.070) 1.534 5.842 ( 0.572 1.679 -1.818) 2.540 5.908 ( 1.971 -2.112 -5.287) 6.024 6.004 ( -3.206 0.647 1.002) 3.421 6.039 ( -1.848 1.430 0.348) 2.363 6.093 ( -0.794 -0.728 0.805) 1.345 6.118 ( -0.147 -0.064 -1.238) 1.248======================= Grid point 138 (72/116) =======================q-point: ( 0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( 5.711 4.573 1.661) 7.502 1.527 ( 0.100 6.188 4.255) 7.510 1.580 ( -2.731 8.338 -0.982) 8.828 1.773 ( -4.466 -2.543 3.078) 5.991 1.826 ( -3.108 1.005 -0.065) 3.267 1.995 ( -5.641 -3.792 2.521) 7.249 2.102 ( 1.041 3.717 -0.333) 3.874 2.172 ( 1.102 -1.401 -2.141) 2.786 2.245 ( 1.023 -10.565 3.819) 11.280 2.320 ( 2.915 -5.359 -2.016) 6.425 2.422 ( -5.329 -2.868 -1.705) 6.287 2.483 ( 0.525 -1.186 2.025) 2.405 2.494 ( 0.945 1.687 1.935) 2.736 2.623 ( 3.628 -0.322 -3.075) 4.767 2.712 ( -2.216 0.734 2.182) 3.195 2.859 ( -1.376 -3.160 -5.559) 6.541 2.977 ( 3.430 -0.062 5.468) 6.455 3.056 ( 1.455 -1.743 -2.193) 3.156 3.240 ( 4.139 3.756 1.451) 5.774 3.252 ( -2.081 7.836 3.670) 8.899 3.378 ( 2.432 -0.081 2.179) 3.267 3.574 ( -4.015 6.651 2.377) 8.125 3.724 ( 4.135 1.395 -2.396) 4.979 3.769 ( -3.774 0.098 -2.663) 4.620 4.307 ( 1.893 2.589 0.980) 3.354 4.334 ( -1.411 2.176 2.519) 3.615 4.462 ( 1.435 5.568 1.730) 6.004 4.590 ( 1.149 5.836 0.521) 5.971 4.637 ( -0.510 -3.589 4.232) 5.572 4.804 ( -4.511 -1.675 -2.214) 5.297 4.852 ( -1.983 0.011 0.826) 2.148 4.883 ( -0.203 -3.458 -0.582) 3.512 4.945 ( 1.891 -5.218 -0.863) 5.617 5.025 ( -1.078 4.651 -3.847) 6.132 5.123 ( -0.850 3.298 -0.767) 3.491 5.155 ( 0.604 0.800 1.598) 1.886 5.308 ( 0.554 -2.768 -0.431) 2.856 5.363 ( 1.785 0.973 0.595) 2.118 5.448 ( -0.193 -3.980 0.865) 4.077 5.553 ( 0.420 -3.643 0.776) 3.748 5.730 ( 1.749 -1.189 -1.276) 2.470 5.741 ( -0.248 0.125 -1.742) 1.764 5.831 ( -1.426 0.615 -0.510) 1.634 5.877 ( -3.517 -0.998 -2.301) 4.320 5.957 ( -1.222 1.523 -0.280) 1.973 6.030 ( -0.027 0.555 -0.918) 1.073 6.073 ( -1.648 -0.525 1.279) 2.152 6.135 ( 2.638 -2.317 -4.437) 5.658======================= Grid point 139 (73/116) =======================q-point: (-0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( -0.467 2.961 1.745) 3.468 1.464 ( -2.689 8.828 0.256) 9.232 1.589 ( -0.012 2.227 1.839) 2.888 1.702 ( 0.811 -1.663 0.309) 1.876 1.795 ( -3.930 -2.528 7.919) 9.195 1.879 ( -4.087 -2.124 1.740) 4.924 2.143 ( 2.898 0.545 0.237) 2.958 2.183 ( -0.365 0.401 -1.623) 1.712 2.235 ( -1.991 -7.899 0.061) 8.146 2.350 ( 0.731 -3.582 -0.611) 3.706 2.401 ( 2.505 -1.678 -2.326) 3.808 2.484 ( -0.192 2.332 0.147) 2.344 2.539 ( 2.823 -2.290 2.961) 4.688 2.640 ( -1.932 -1.498 -0.393) 2.476 2.711 ( 2.335 -0.709 -1.725) 2.989 2.847 ( 0.897 -1.113 -4.750) 4.961 3.018 ( 0.149 1.412 1.021) 1.749 3.090 ( 2.455 -0.564 0.740) 2.625 3.220 ( -1.605 4.045 2.617) 5.078 3.309 ( -0.004 4.696 1.958) 5.088 3.427 ( 1.404 6.476 4.407) 7.958 3.492 ( -2.681 2.611 0.411) 3.765 3.683 ( -3.242 -0.730 -0.955) 3.458 3.796 ( 3.024 1.954 -2.852) 4.593 4.325 ( -0.003 6.009 2.120) 6.373 4.343 ( 1.028 1.124 1.831) 2.382 4.484 ( 0.248 2.648 4.553) 5.273 4.595 ( -0.997 4.721 0.110) 4.826 4.649 ( 1.347 -1.245 1.410) 2.314 4.735 ( -1.995 -1.946 -3.476) 4.456 4.823 ( -0.500 1.488 0.492) 1.645 4.883 ( -0.022 -2.693 0.541) 2.747 4.939 ( -1.601 -3.217 0.116) 3.596 5.010 ( 0.032 1.813 -3.827) 4.235 5.108 ( -0.383 2.733 -1.062) 2.957 5.196 ( 3.587 -1.706 0.260) 3.980 5.326 ( 0.949 -2.384 -0.544) 2.623 5.391 ( -0.117 0.904 1.242) 1.541 5.454 ( 1.222 -2.382 2.865) 3.921 5.568 ( 0.332 -3.563 1.416) 3.849 5.720 ( -1.193 0.511 -2.113) 2.480 5.756 ( 1.274 -1.079 -1.533) 2.266 5.794 ( -3.601 -0.689 -2.528) 4.454 5.801 ( -1.436 -0.876 -0.767) 1.849 5.964 ( 1.684 2.411 0.078) 2.942 6.016 ( -1.073 0.700 -1.565) 2.023 6.035 ( -2.382 -0.121 0.371) 2.414 6.185 ( 2.990 -3.615 -4.019) 6.178======================= Grid point 140 (74/116) =======================q-point: (-0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -8.131 5.890 2.567) 10.364 1.455 ( -0.577 8.419 1.279) 8.535 1.519 ( -3.153 5.022 3.137) 6.708 1.714 ( -3.036 -1.800 7.723) 8.491 1.853 ( 5.473 -3.299 1.614) 6.591 1.871 ( 5.197 -7.052 0.189) 8.762 2.146 ( -2.181 0.858 0.659) 2.435 2.182 ( -2.800 -4.581 -1.314) 5.528 2.215 ( 3.336 -1.386 -2.877) 4.619 2.364 ( 0.778 0.746 1.144) 1.571 2.439 ( 1.202 -1.836 -1.791) 2.833 2.479 ( 0.038 2.001 -0.390) 2.039 2.575 ( -2.635 -3.007 -0.906) 4.099 2.630 ( 4.386 -0.713 2.165) 4.943 2.756 ( 1.872 -0.492 0.096) 1.938 2.858 ( 1.082 -0.710 -4.167) 4.363 3.012 ( -0.463 1.284 -2.493) 2.842 3.111 ( -0.959 1.324 -0.052) 1.635 3.206 ( -6.026 4.609 7.239) 10.486 3.227 ( -1.002 4.368 4.431) 6.302 3.446 ( -1.662 1.229 -2.086) 2.937 3.492 ( 2.165 0.624 0.159) 2.259 3.649 ( -0.029 0.926 -0.208) 0.950 3.845 ( 2.320 0.861 -1.086) 2.702 4.328 ( -0.252 7.430 1.739) 7.635 4.352 ( -0.458 2.530 1.765) 3.119 4.498 ( 0.307 -1.582 7.583) 7.753 4.549 ( -3.464 3.897 -1.772) 5.507 4.677 ( -0.603 -2.316 -0.495) 2.444 4.727 ( 3.402 1.445 -1.654) 4.049 4.832 ( 0.836 2.093 -2.172) 3.130 4.883 ( 0.070 -0.270 1.824) 1.845 4.920 ( 0.086 -2.949 -0.618) 3.015 5.015 ( 1.439 2.107 -0.785) 2.669 5.116 ( 1.680 2.327 -0.713) 2.958 5.264 ( 2.739 -1.343 -2.947) 4.242 5.334 ( 0.410 -2.792 -0.036) 2.822 5.381 ( -0.342 -0.643 0.566) 0.922 5.488 ( 0.996 -1.022 3.248) 3.548 5.549 ( -2.675 -4.524 2.010) 5.627 5.703 ( -1.189 0.694 -0.468) 1.454 5.716 ( -2.339 -0.103 -4.104) 4.725 5.763 ( -0.241 -1.212 -2.399) 2.699 5.816 ( 2.279 -1.459 -0.048) 2.707 5.988 ( -0.878 0.250 -1.577) 1.822 5.990 ( -1.529 0.395 -0.337) 1.615 6.013 ( 2.528 2.864 0.047) 3.820 6.225 ( 1.754 -3.536 -2.728) 4.798======================= Grid point 141 (75/116) =======================q-point: (-0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -6.417 10.865 6.438) 14.166 1.349 ( -8.305 8.884 9.542) 15.458 1.598 ( 7.746 4.163 -3.068) 9.313 1.730 ( 2.801 0.619 3.895) 4.837 1.865 ( -0.426 -5.143 3.038) 5.989 2.005 ( 3.211 -4.383 -2.741) 6.085 2.094 ( -2.105 -1.104 -0.861) 2.528 2.154 ( -0.065 -1.673 1.753) 2.425 2.260 ( 1.703 -2.933 -2.963) 4.504 2.401 ( 2.026 6.096 3.055) 7.113 2.431 ( -1.117 -1.963 -1.882) 2.940 2.467 ( -2.014 -1.258 1.092) 2.614 2.536 ( 0.027 -2.998 -2.537) 3.928 2.719 ( 3.141 -1.697 -0.773) 3.653 2.791 ( 2.259 1.242 2.159) 3.363 2.844 ( -2.697 5.154 2.709) 6.417 3.015 ( 2.322 0.947 0.261) 2.521 3.064 ( -2.613 4.379 -0.194) 5.103 3.137 ( -0.877 0.560 1.748) 2.034 3.219 ( -2.470 -1.845 -0.393) 3.108 3.398 ( -1.896 -1.460 -0.294) 2.411 3.521 ( 0.495 -0.023 -0.803) 0.943 3.659 ( -0.033 0.405 1.871) 1.914 3.865 ( -0.090 -0.806 -1.395) 1.614 4.318 ( -1.347 6.234 0.141) 6.380 4.344 ( -0.116 3.367 3.143) 4.607 4.471 ( -3.418 5.767 -1.331) 6.835 4.532 ( 1.046 -3.909 7.843) 8.826 4.653 ( -1.083 -2.505 -0.452) 2.766 4.784 ( 0.093 0.746 0.953) 1.214 4.845 ( 2.289 0.961 -3.190) 4.042 4.907 ( 2.511 1.403 -0.591) 2.937 4.937 ( 1.708 0.634 -1.651) 2.459 5.065 ( 3.151 3.880 2.523) 5.599 5.159 ( 1.852 3.163 -0.661) 3.724 5.281 ( 1.190 -0.786 -5.114) 5.309 5.334 ( -0.801 -2.870 0.952) 3.128 5.400 ( 2.002 -1.450 -2.067) 3.222 5.481 ( -3.421 -5.259 3.114) 7.004 5.518 ( 0.844 -2.594 1.189) 2.976 5.640 ( -2.953 -0.244 -4.260) 5.189 5.701 ( -0.805 1.517 -0.010) 1.717 5.748 ( -0.715 -1.593 -3.054) 3.518 5.841 ( -0.365 -2.031 -0.452) 2.112 5.986 ( 1.969 0.602 0.390) 2.096 5.993 ( 1.568 0.915 -0.726) 1.955 6.065 ( 2.552 2.705 0.109) 3.720 6.240 ( 0.239 -2.719 -1.482) 3.106======================= Grid point 142 (76/116) =======================q-point: (-0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 0.140 14.221 9.966) 17.367 1.233 ( -5.336 11.723 11.430) 17.220 1.717 ( 3.660 4.053 -2.291) 5.922 1.809 ( 3.513 -0.230 0.682) 3.586 1.875 ( 2.987 -5.232 -0.047) 6.025 2.007 ( -0.633 -1.372 -1.164) 1.907 2.079 ( 0.103 -4.260 -1.685) 4.582 2.162 ( -0.178 2.907 4.569) 5.418 2.269 ( 0.040 -3.966 -1.489) 4.237 2.357 ( -6.064 5.943 4.678) 9.694 2.409 ( 0.040 -1.071 -2.801) 2.999 2.488 ( 1.959 -1.846 -0.192) 2.699 2.541 ( 0.703 -0.465 -2.359) 2.506 2.712 ( -2.469 2.192 3.305) 4.672 2.804 ( -0.078 2.249 -0.462) 2.297 2.889 ( 4.258 0.595 4.008) 5.878 2.998 ( -0.983 5.389 -0.937) 5.557 3.125 ( -0.064 -0.895 -0.146) 0.909 3.131 ( -0.025 1.041 3.523) 3.674 3.180 ( 5.001 -2.397 -3.471) 6.543 3.360 ( -2.559 -4.111 0.330) 4.854 3.505 ( -2.066 -1.972 -0.615) 2.922 3.626 ( -4.066 -0.874 2.555) 4.881 3.853 ( -0.108 -4.234 -2.187) 4.767 4.292 ( -0.504 4.242 -1.023) 4.393 4.360 ( 0.361 4.665 3.183) 5.659 4.417 ( -1.786 6.737 -0.709) 7.006 4.570 ( 1.073 -2.646 7.281) 7.821 4.636 ( -0.863 -2.576 0.989) 2.892 4.758 ( -1.908 -0.573 2.235) 2.994 4.879 ( 1.593 1.271 -3.224) 3.814 4.952 ( 1.383 -1.988 -2.005) 3.144 4.989 ( 3.783 6.395 -0.912) 7.487 5.113 ( -0.524 1.192 4.060) 4.264 5.167 ( 1.030 5.758 -3.076) 6.609 5.288 ( -0.336 0.464 -1.478) 1.585 5.349 ( 1.679 -2.904 -2.649) 4.275 5.408 ( -1.791 -6.152 1.424) 6.564 5.422 ( -1.164 -0.565 -0.490) 1.384 5.545 ( 0.449 -4.376 -1.821) 4.761 5.592 ( 0.196 0.546 -4.811) 4.846 5.688 ( -0.413 -0.294 0.095) 0.516 5.734 ( 0.517 -0.880 -2.984) 3.154 5.818 ( -1.049 -1.751 -1.754) 2.691 6.034 ( 2.220 1.473 0.155) 2.668 6.042 ( 2.759 0.491 1.932) 3.403 6.104 ( 1.368 2.483 0.099) 2.837 6.227 ( -1.386 -1.425 -0.394) 2.026======================= Grid point 143 (77/116) =======================q-point: ( 0.00 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( 1.492 13.786 5.114) 14.780 1.477 ( 1.862 12.960 8.034) 15.361 1.710 ( 0.574 -8.175 1.701) 8.370 1.744 ( 1.923 -11.787 3.564) 12.463 1.887 ( 1.876 4.340 -1.122) 4.860 1.991 ( 1.059 -4.678 -3.957) 6.218 2.039 ( 1.328 2.077 -3.435) 4.228 2.103 ( -0.754 -4.898 -2.089) 5.378 2.251 ( -1.765 4.569 -0.606) 4.935 2.352 ( -1.183 -3.740 -1.202) 4.102 2.452 ( 1.311 2.412 -4.122) 4.953 2.490 ( 2.125 -1.271 -3.422) 4.224 2.599 ( -0.894 5.385 -0.152) 5.461 2.669 ( -1.667 -2.569 -0.670) 3.135 2.909 ( -5.349 11.390 7.783) 14.796 2.944 ( -2.969 2.135 1.576) 3.982 2.998 ( -3.073 -3.309 0.277) 4.525 3.061 ( -2.307 -2.753 -0.896) 3.702 3.183 ( -2.716 2.332 1.882) 4.044 3.281 ( 8.784 2.311 1.687) 9.238 3.312 ( 0.163 -8.058 1.965) 8.296 3.345 ( 6.208 -2.591 1.682) 6.934 3.579 ( -4.201 4.337 5.388) 8.093 3.699 ( -1.515 -8.100 4.952) 9.614 4.386 ( 1.560 4.029 -0.333) 4.334 4.423 ( -0.414 1.723 -0.184) 1.781 4.505 ( -1.391 1.835 -1.475) 2.734 4.547 ( -0.566 -3.028 0.089) 3.081 4.624 ( 0.702 3.573 6.810) 7.722 4.705 ( -0.803 -2.735 5.436) 6.138 4.919 ( 1.342 1.275 -3.130) 3.636 4.946 ( 1.097 -1.188 -2.638) 3.094 5.071 ( -3.866 3.712 3.913) 6.636 5.150 ( -1.550 -0.952 4.560) 4.909 5.216 ( -0.331 0.663 -3.359) 3.440 5.251 ( -1.552 -1.288 -0.821) 2.177 5.315 ( 0.596 1.442 -2.414) 2.875 5.358 ( 1.052 -1.721 -0.681) 2.129 5.406 ( -0.277 -0.071 -3.422) 3.434 5.438 ( -1.354 -3.032 -4.873) 5.897 5.625 ( 1.816 0.829 -4.597) 5.012 5.651 ( 1.540 -1.916 -3.623) 4.378 5.776 ( 2.884 0.632 -3.569) 4.632 5.790 ( 1.971 -0.872 -3.723) 4.301 6.086 ( 0.568 0.698 1.724) 1.945 6.092 ( 0.912 0.088 2.399) 2.568 6.152 ( -0.963 1.657 0.489) 1.978 6.177 ( -1.751 -0.860 0.489) 2.011======================= Grid point 144 (78/116) =======================q-point: ( 0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.145 13.329 4.496) 14.068 1.546 ( 3.416 11.656 6.671) 13.858 1.725 ( 0.663 -5.518 -0.111) 5.558 1.765 ( -0.180 -8.539 1.141) 8.617 1.926 ( 2.432 -0.281 0.904) 2.610 1.989 ( 0.121 -4.896 -3.222) 5.862 2.061 ( 0.698 0.402 -2.132) 2.279 2.084 ( -1.633 -1.918 -0.267) 2.533 2.206 ( -1.707 5.493 -3.181) 6.573 2.335 ( 0.076 -5.321 -1.768) 5.607 2.430 ( -3.222 3.638 -1.688) 5.145 2.515 ( 0.460 -3.388 -1.697) 3.817 2.578 ( -1.256 4.248 -1.742) 4.760 2.624 ( -2.441 -0.883 -0.853) 2.732 2.836 ( -4.317 3.205 2.793) 6.059 2.881 ( -2.577 3.326 2.500) 4.894 2.908 ( -4.874 -3.220 2.325) 6.287 2.993 ( -2.507 -4.489 -2.419) 5.682 3.188 ( 1.569 3.955 4.842) 6.446 3.282 ( -0.078 -4.024 2.056) 4.519 3.477 ( 8.054 4.784 0.729) 9.396 3.529 ( 0.078 5.648 6.267) 8.437 3.533 ( 8.195 -0.832 0.819) 8.278 3.699 ( 0.196 -10.740 5.390) 12.018 4.367 ( -2.403 3.839 -1.998) 4.950 4.421 ( -1.269 -0.460 0.160) 1.360 4.485 ( 1.265 4.688 0.407) 4.873 4.577 ( 2.572 -2.416 0.779) 3.614 4.648 ( 0.589 1.366 5.570) 5.765 4.699 ( -0.640 -2.034 4.112) 4.632 4.920 ( -1.406 0.525 -2.998) 3.353 4.935 ( -1.882 -1.049 -2.441) 3.256 5.006 ( -3.030 4.569 2.056) 5.855 5.121 ( -1.823 -4.966 2.307) 5.771 5.208 ( -0.311 3.419 -0.174) 3.437 5.220 ( -1.268 0.576 -0.720) 1.568 5.315 ( -0.463 1.339 -2.356) 2.749 5.357 ( -0.203 0.070 -0.420) 0.472 5.390 ( -1.261 -0.996 -3.804) 4.130 5.419 ( 1.014 -5.569 -3.055) 6.433 5.658 ( 2.305 0.949 -2.903) 3.826 5.683 ( 2.194 -1.618 -1.978) 3.368 5.831 ( 3.517 0.042 -5.438) 6.476 5.833 ( 2.861 -0.071 -4.891) 5.667 6.076 ( -2.143 0.990 2.192) 3.221 6.092 ( -1.706 -0.657 2.885) 3.416 6.122 ( -1.808 1.339 0.059) 2.251 6.138 ( -1.873 -0.349 0.160) 1.912======================= Grid point 145 (79/116) =======================q-point: ( 0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -2.674 11.547 3.092) 12.249 1.610 ( -0.011 3.293 3.126) 4.541 1.715 ( -0.050 -2.939 1.759) 3.425 1.779 ( 1.444 -0.533 -2.718) 3.124 1.942 ( -1.641 2.467 -2.898) 4.144 2.012 ( 0.086 -6.113 2.639) 6.659 2.030 ( -1.968 0.115 3.201) 3.759 2.065 ( 0.471 -2.834 0.253) 2.884 2.186 ( 0.275 4.025 -5.370) 6.717 2.319 ( -3.091 -5.633 -1.490) 6.595 2.364 ( -0.938 3.033 -0.719) 3.255 2.478 ( -3.374 -5.235 0.017) 6.229 2.547 ( -1.089 3.216 -1.320) 3.643 2.598 ( -0.124 -0.933 -2.832) 2.985 2.766 ( -2.285 1.633 0.193) 2.815 2.820 ( -2.061 -3.787 -0.759) 4.377 2.912 ( 2.111 2.178 3.485) 4.620 2.973 ( 0.667 -3.583 -1.667) 4.007 3.240 ( 2.639 4.017 4.636) 6.677 3.305 ( 1.780 -2.424 1.887) 3.550 3.482 ( -2.075 10.719 6.883) 12.906 3.639 ( 1.822 -0.736 5.123) 5.487 3.671 ( 6.542 1.979 0.391) 6.846 3.730 ( 2.871 -7.445 0.521) 7.997 4.325 ( -1.252 2.944 -0.774) 3.291 4.379 ( -2.219 -1.770 0.513) 2.884 4.541 ( 3.321 6.617 1.124) 7.489 4.616 ( 0.667 1.355 2.992) 3.352 4.671 ( 0.534 0.648 2.539) 2.674 4.716 ( 2.277 -5.533 2.935) 6.664 4.860 ( -4.763 -1.536 -1.173) 5.140 4.866 ( -2.712 -1.909 -3.123) 4.556 4.961 ( -2.540 5.678 -0.426) 6.235 5.084 ( -2.368 -4.849 -1.607) 5.631 5.197 ( -0.914 2.054 1.498) 2.701 5.230 ( 2.127 2.700 2.326) 4.150 5.271 ( -3.015 1.860 -3.609) 5.057 5.347 ( -0.571 -1.464 -2.606) 3.043 5.384 ( 1.327 -0.132 -0.657) 1.486 5.442 ( 1.283 -5.620 0.180) 5.768 5.697 ( 2.187 1.130 -1.946) 3.138 5.722 ( 1.975 -1.158 -1.659) 2.827 5.862 ( 0.730 0.542 -3.491) 3.607 5.874 ( 1.595 -1.031 -5.203) 5.539 6.023 ( -3.003 1.210 1.079) 3.412 6.045 ( -2.530 -0.845 0.991) 2.846 6.095 ( -1.254 0.911 -0.025) 1.550 6.112 ( -1.063 -0.650 -0.152) 1.255======================= Grid point 146 (80/116) =======================q-point: ( 0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 0.672 6.941 1.657) 7.167 1.555 ( -3.455 -4.354 1.145) 5.675 1.745 ( -1.445 5.459 -3.363) 6.573 1.761 ( -1.504 3.240 0.563) 3.616 1.872 ( -4.516 3.486 0.933) 5.781 1.932 ( -6.127 -2.743 4.782) 8.242 2.049 ( 0.277 -5.814 3.739) 6.918 2.079 ( 0.270 -6.390 -0.252) 6.401 2.200 ( 2.669 3.829 -4.543) 6.513 2.289 ( 1.401 -3.001 -1.207) 3.525 2.359 ( 0.518 2.205 -3.138) 3.870 2.447 ( 0.317 -3.699 0.239) 3.720 2.533 ( -0.169 2.571 -1.204) 2.844 2.592 ( 0.241 -3.155 -4.078) 5.162 2.749 ( -0.165 3.040 1.234) 3.285 2.806 ( 0.520 -2.383 -1.621) 2.928 2.970 ( 3.060 0.122 3.099) 4.357 3.001 ( 2.251 -2.881 -0.083) 3.658 3.302 ( 2.658 2.973 3.046) 5.018 3.347 ( 1.738 -1.435 1.712) 2.830 3.457 ( -1.725 9.959 7.037) 12.315 3.620 ( -3.761 -5.090 6.983) 9.424 3.746 ( 0.797 3.691 -1.333) 4.004 3.789 ( 2.863 0.139 -3.504) 4.527 4.322 ( 0.623 1.353 2.047) 2.532 4.362 ( 0.652 -1.354 2.182) 2.649 4.577 ( -0.832 5.467 1.505) 5.731 4.632 ( 0.912 2.661 3.525) 4.510 4.680 ( 0.364 1.481 0.433) 1.586 4.765 ( -2.135 -1.057 -1.150) 2.645 4.780 ( 0.834 -4.969 0.842) 5.108 4.835 ( 0.037 -4.786 -1.681) 5.073 4.909 ( -2.098 5.521 -0.309) 5.914 5.029 ( -2.283 -4.811 -3.021) 6.123 5.176 ( -1.561 2.239 -0.156) 2.734 5.204 ( -2.902 1.144 -2.529) 4.016 5.286 ( 2.527 2.707 3.432) 5.049 5.359 ( 2.003 -2.230 1.122) 3.200 5.407 ( 0.883 0.683 0.075) 1.119 5.466 ( 1.253 -4.732 0.121) 4.897 5.728 ( 1.344 0.667 -2.026) 2.521 5.741 ( 0.329 -0.357 -2.334) 2.384 5.839 ( -2.427 0.361 -1.542) 2.898 5.853 ( -2.769 -1.162 -2.614) 3.981 5.993 ( 0.105 2.047 -0.985) 2.274 6.028 ( 0.466 -1.201 -0.854) 1.546 6.070 ( -1.321 0.719 -0.397) 1.555 6.095 ( -0.212 -1.709 -1.714) 2.430======================= Grid point 147 (81/116) =======================q-point: (-0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 0.379 3.921 1.837) 4.346 1.548 ( 3.494 -4.202 0.409) 5.480 1.649 ( -4.443 7.205 -0.906) 8.513 1.714 ( -4.088 1.080 -3.402) 5.427 1.786 ( -5.368 1.769 7.717) 9.565 1.833 ( -3.866 -2.398 3.692) 5.859 2.074 ( 1.177 -5.360 1.061) 5.589 2.083 ( 1.205 -4.952 -0.567) 5.128 2.246 ( 2.109 4.592 -4.423) 6.715 2.337 ( 3.175 -3.664 -2.743) 5.571 2.373 ( 1.371 3.527 -2.617) 4.601 2.467 ( 0.934 -4.825 -0.473) 4.938 2.542 ( 1.786 2.760 -0.834) 3.392 2.590 ( 0.191 -2.389 -2.783) 3.672 2.752 ( 0.287 3.802 1.087) 3.965 2.819 ( 0.835 -2.310 -1.642) 2.955 3.030 ( 2.000 0.198 1.072) 2.278 3.050 ( 2.519 -2.209 0.885) 3.465 3.313 ( -2.876 4.306 4.103) 6.607 3.362 ( -0.753 -0.238 2.726) 2.838 3.469 ( 1.221 3.483 4.851) 6.096 3.555 ( -3.560 -2.906 5.510) 7.175 3.724 ( -1.705 6.487 -1.677) 6.914 3.816 ( 0.917 -1.468 -2.600) 3.124 4.353 ( 1.827 1.987 3.628) 4.522 4.401 ( 1.902 -0.768 2.580) 3.296 4.543 ( -2.598 4.230 2.954) 5.776 4.631 ( -1.397 -3.234 1.438) 3.805 4.693 ( 0.082 5.172 -0.713) 5.222 4.723 ( -0.394 3.644 -1.053) 3.813 4.796 ( 0.320 -4.820 -0.878) 4.910 4.837 ( -0.155 -6.237 -0.613) 6.269 4.905 ( 1.610 5.206 0.833) 5.513 5.005 ( 0.432 -3.516 -4.010) 5.351 5.146 ( -0.954 1.511 -0.829) 1.970 5.173 ( 0.647 -1.078 0.138) 1.265 5.325 ( 0.659 2.854 2.467) 3.830 5.394 ( -0.168 -2.617 2.705) 3.767 5.429 ( 1.993 1.557 1.236) 2.815 5.488 ( 0.620 -4.078 0.008) 4.125 5.733 ( -0.258 0.694 -2.034) 2.165 5.743 ( 0.932 -0.383 -2.629) 2.815 5.783 ( -3.366 -0.290 -2.572) 4.246 5.787 ( -2.042 -0.590 -2.100) 2.988 6.008 ( 0.577 1.559 -0.848) 1.866 6.024 ( -1.120 -0.303 -0.650) 1.330 6.046 ( -0.231 2.224 -1.047) 2.469 6.111 ( 2.129 -3.836 -2.465) 5.032======================= Grid point 148 (82/116) =======================q-point: (-0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -3.412 7.264 2.715) 8.472 1.551 ( -2.363 -1.855 1.919) 3.565 1.632 ( -1.041 6.296 1.338) 6.520 1.716 ( 0.377 0.759 2.740) 2.868 1.735 ( 5.900 -2.842 -0.470) 6.565 1.781 ( -2.935 -4.698 4.827) 7.347 2.092 ( 1.454 -1.748 -0.764) 2.398 2.127 ( 2.634 -3.732 -2.394) 5.157 2.249 ( -0.858 5.429 -2.499) 6.038 2.372 ( 0.816 -5.796 -3.457) 6.798 2.393 ( 1.012 2.523 -2.376) 3.610 2.466 ( -0.289 -4.531 -4.027) 6.069 2.577 ( 0.632 3.712 1.507) 4.056 2.616 ( 3.686 -0.690 0.061) 3.751 2.776 ( 2.337 2.586 -0.127) 3.488 2.831 ( 1.401 -2.118 -2.118) 3.307 3.036 ( -1.135 1.173 -1.736) 2.383 3.075 ( -0.362 -3.041 -0.813) 3.169 3.259 ( -3.056 3.594 5.194) 7.017 3.314 ( -4.249 -0.758 5.700) 7.149 3.476 ( -2.538 3.373 3.810) 5.687 3.521 ( -0.861 -0.178 2.532) 2.680 3.703 ( -0.396 5.830 2.217) 6.250 3.824 ( -0.056 -4.196 0.627) 4.243 4.389 ( 0.751 1.765 1.665) 2.540 4.418 ( -0.772 0.031 0.686) 1.033 4.508 ( -1.193 4.359 5.102) 6.816 4.600 ( -1.616 -3.865 1.620) 4.491 4.657 ( -2.311 5.332 -1.222) 5.938 4.757 ( 0.726 -1.096 1.641) 2.102 4.800 ( 2.016 -1.176 -2.442) 3.378 4.852 ( 2.032 -3.537 -0.986) 4.196 4.948 ( 2.696 4.652 -2.077) 5.764 5.024 ( 2.907 -2.227 -3.606) 5.139 5.157 ( 2.254 2.743 0.598) 3.600 5.225 ( 3.692 -3.353 1.892) 5.334 5.319 ( -1.285 2.504 -0.621) 2.882 5.380 ( -1.197 -1.446 1.134) 2.193 5.453 ( -0.913 -1.086 1.777) 2.274 5.477 ( -1.324 -2.482 0.551) 2.866 5.710 ( -2.503 0.707 -2.856) 3.863 5.729 ( -1.585 -0.553 -0.458) 1.739 5.750 ( 0.950 1.043 -4.241) 4.469 5.784 ( 1.729 -1.823 -1.598) 2.978 5.992 ( -1.041 0.234 -1.033) 1.485 5.995 ( -0.966 -0.009 -0.895) 1.316 6.076 ( 2.515 3.601 -0.521) 4.423 6.151 ( 2.182 -3.923 -1.500) 4.733======================= Grid point 149 (83/116) =======================q-point: (-0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( -1.706 11.368 4.937) 12.511 1.516 ( -2.953 4.689 4.660) 7.240 1.619 ( 0.899 -1.440 3.281) 3.695 1.737 ( -2.366 -6.705 6.018) 9.315 1.762 ( 3.988 3.349 -0.989) 5.301 1.872 ( 6.332 -6.816 -3.642) 9.991 2.105 ( -1.172 1.682 -3.143) 3.753 2.159 ( 0.979 -2.199 -1.604) 2.892 2.232 ( 0.268 4.578 0.007) 4.586 2.366 ( -0.167 -6.491 -1.074) 6.581 2.405 ( 1.111 0.999 -5.022) 5.240 2.450 ( 0.114 -3.352 -5.569) 6.501 2.598 ( 0.888 6.458 2.842) 7.111 2.679 ( 1.986 -2.410 0.083) 3.124 2.836 ( 4.242 3.532 -0.311) 5.529 2.902 ( 6.465 -1.107 -1.350) 6.697 2.998 ( -1.184 0.576 -2.650) 2.959 3.054 ( -0.927 -4.138 -1.305) 4.437 3.198 ( -5.175 3.966 5.761) 8.700 3.248 ( -3.803 0.608 5.584) 6.783 3.403 ( -4.966 4.658 2.755) 7.345 3.501 ( -2.480 -2.945 2.400) 4.537 3.698 ( -1.589 3.692 4.880) 6.322 3.801 ( -2.950 -5.696 3.357) 7.240 4.376 ( -1.860 1.668 -0.485) 2.545 4.398 ( 0.016 -0.131 -0.756) 0.768 4.526 ( 1.178 3.491 6.647) 7.600 4.584 ( -0.978 1.095 1.848) 2.360 4.615 ( -1.655 2.900 0.268) 3.350 4.734 ( -2.084 -5.527 2.381) 6.368 4.859 ( 3.125 1.066 -3.101) 4.530 4.884 ( 1.523 -1.431 -2.300) 3.107 5.020 ( 5.277 5.099 -2.895) 7.888 5.104 ( 4.959 -1.824 -0.267) 5.291 5.222 ( 3.617 2.620 1.674) 4.770 5.269 ( -0.562 1.352 -1.558) 2.138 5.299 ( 0.030 -1.099 0.720) 1.314 5.359 ( -1.350 -3.964 -2.897) 5.092 5.412 ( -1.206 0.539 -0.495) 1.411 5.459 ( -0.824 -3.369 0.663) 3.531 5.656 ( -2.308 1.619 -4.080) 4.959 5.695 ( -1.750 -2.148 -1.987) 3.410 5.753 ( -0.308 2.149 -2.262) 3.135 5.798 ( -0.368 -2.339 -1.213) 2.660 5.998 ( 2.101 0.508 0.117) 2.164 6.003 ( 1.998 0.090 -0.302) 2.023 6.122 ( 2.126 3.072 -0.032) 3.736 6.183 ( 1.284 -3.073 -0.561) 3.377======================= Grid point 150 (84/116) =======================q-point: (-0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 1.807 13.940 6.148) 15.342 1.470 ( -2.358 11.368 6.965) 13.539 1.675 ( 3.386 -10.178 1.749) 10.868 1.713 ( -0.998 -9.284 5.699) 10.940 1.839 ( 3.715 5.792 -2.238) 7.235 1.955 ( 3.447 -5.448 -4.571) 7.903 2.054 ( -2.108 2.788 -2.731) 4.436 2.136 ( -2.143 -5.208 -1.906) 5.945 2.258 ( 1.091 4.707 0.635) 4.873 2.368 ( -0.058 -5.361 -0.842) 5.427 2.423 ( 2.093 1.960 -5.444) 6.153 2.459 ( 1.804 -1.524 -4.921) 5.458 2.610 ( -0.216 5.679 1.509) 5.881 2.690 ( -0.466 -2.906 0.013) 2.943 2.935 ( 3.630 4.378 0.919) 5.761 2.967 ( 0.876 9.226 1.779) 9.437 3.036 ( -1.166 -3.486 -0.502) 3.710 3.075 ( 1.767 -2.157 1.069) 2.987 3.115 ( 3.752 0.743 0.841) 3.916 3.199 ( -1.408 -0.506 4.321) 4.573 3.304 ( -5.815 1.906 2.551) 6.630 3.426 ( -5.718 -6.453 2.633) 9.015 3.652 ( -4.099 2.913 5.341) 7.336 3.740 ( -3.562 -6.149 4.325) 8.319 4.360 ( 0.535 3.365 -0.598) 3.459 4.411 ( 1.198 -0.829 -0.056) 1.458 4.538 ( -1.701 2.931 -0.345) 3.406 4.570 ( -0.420 2.417 2.760) 3.693 4.600 ( -0.283 1.688 4.225) 4.558 4.709 ( -1.048 -4.843 4.782) 6.886 4.896 ( 1.713 0.728 -3.548) 4.006 4.916 ( 2.279 -1.286 -2.579) 3.674 5.099 ( 1.798 5.248 1.502) 5.747 5.155 ( -0.432 1.736 4.502) 4.844 5.242 ( -0.978 -0.783 -3.668) 3.876 5.281 ( -0.021 -3.476 -1.814) 3.921 5.302 ( 0.868 1.218 -0.671) 1.639 5.319 ( 0.971 -0.680 -1.865) 2.210 5.416 ( 0.300 0.286 -2.256) 2.294 5.460 ( 0.520 -3.876 -3.259) 5.091 5.614 ( -0.363 1.697 -5.157) 5.442 5.657 ( -1.307 -2.448 -3.383) 4.375 5.746 ( 0.638 1.632 -2.150) 2.774 5.782 ( -0.371 -1.922 -1.807) 2.664 6.052 ( 2.583 0.430 1.356) 2.949 6.053 ( 2.551 0.391 1.024) 2.777 6.152 ( 0.845 2.359 0.321) 2.526 6.194 ( -0.112 -1.930 0.154) 1.939======================= Grid point 175 (85/116) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 3.142 0.000 16.246) 16.547 1.267 ( -1.776 0.000 15.725) 15.825 1.496 ( -2.010 0.000 -11.859) 12.028 1.583 ( 0.455 0.000 -12.106) 12.114 2.076 ( -5.653 0.000 11.706) 13.000 2.099 ( -0.258 0.000 5.320) 5.326 2.234 ( -0.443 0.000 4.006) 4.031 2.245 ( 7.397 0.000 -1.792) 7.611 2.315 ( -0.191 0.000 -0.435) 0.475 2.326 ( 1.699 0.000 0.078) 1.701 2.452 ( -1.896 0.000 0.996) 2.142 2.568 ( 1.727 0.000 -2.597) 3.119 2.570 ( -1.469 0.000 3.559) 3.850 2.678 ( -1.294 0.000 -5.237) 5.394 2.705 ( 3.277 0.000 0.504) 3.315 2.736 ( -0.803 0.000 -4.189) 4.265 3.105 ( -0.923 0.000 1.757) 1.985 3.128 ( -1.361 0.000 -0.111) 1.365 3.187 ( 2.862 0.000 3.319) 4.382 3.230 ( 0.816 0.000 0.536) 0.976 3.463 ( 6.910 0.000 -2.064) 7.211 3.481 ( -3.916 0.000 6.845) 7.887 3.494 ( -7.065 0.000 -5.140) 8.737 3.712 ( 1.680 0.000 -12.931) 13.040 4.234 ( -2.345 0.000 0.836) 2.490 4.254 ( 2.986 0.000 -1.070) 3.172 4.335 ( -0.387 0.000 7.444) 7.454 4.481 ( 0.426 0.000 -6.474) 6.488 4.729 ( -3.885 0.000 6.198) 7.315 4.829 ( 1.866 0.000 0.808) 2.034 4.836 ( 4.537 0.000 -3.667) 5.834 4.863 ( -0.739 0.000 -0.962) 1.213 5.003 ( -0.033 0.000 6.622) 6.622 5.100 ( 0.420 0.000 2.435) 2.471 5.131 ( -1.947 0.000 -4.706) 5.092 5.146 ( -2.051 0.000 -2.428) 3.178 5.373 ( 1.219 0.000 1.875) 2.236 5.419 ( -2.220 0.000 -2.131) 3.077 5.572 ( 1.071 0.000 0.983) 1.454 5.580 ( 1.070 0.000 -0.541) 1.199 5.684 ( 1.309 0.000 2.084) 2.461 5.741 ( -0.449 0.000 -2.506) 2.546 5.785 ( 0.511 0.000 0.159) 0.535 5.799 ( -0.277 0.000 -0.838) 0.883 6.003 ( 1.346 0.000 0.431) 1.414 6.016 ( -1.062 0.000 -0.810) 1.336 6.149 ( 2.343 0.000 2.197) 3.212 6.180 ( -2.948 0.000 -0.869) 3.074======================= Grid point 176 (86/116) =======================q-point: ( 0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -2.641 0.000 14.550) 14.788 1.267 ( -2.061 0.000 1.293) 2.433 1.437 ( 0.223 0.000 1.581) 1.597 1.603 ( 4.032 0.000 -12.681) 13.306 2.029 ( -1.660 0.000 7.907) 8.080 2.098 ( -0.854 0.000 4.658) 4.736 2.264 ( 3.662 0.000 -4.322) 5.665 2.304 ( -1.160 0.000 -1.096) 1.596 2.323 ( 1.199 0.000 -1.499) 1.920 2.393 ( 2.850 0.000 3.198) 4.284 2.444 ( 0.586 0.000 7.855) 7.876 2.549 ( -1.517 0.000 4.880) 5.111 2.566 ( -1.738 0.000 -3.066) 3.525 2.658 ( 0.669 0.000 -3.838) 3.896 2.754 ( 3.359 0.000 -4.444) 5.571 2.795 ( 5.599 0.000 -0.523) 5.624 3.082 ( -3.377 0.000 1.361) 3.641 3.088 ( -1.384 0.000 2.814) 3.136 3.214 ( -0.837 0.000 1.160) 1.431 3.232 ( 1.252 0.000 -7.002) 7.113 3.348 ( -6.057 0.000 0.020) 6.057 3.423 ( -4.270 0.000 4.538) 6.231 3.525 ( -0.787 0.000 -1.945) 2.098 3.716 ( 1.851 0.000 -8.221) 8.427 4.208 ( -0.311 0.000 0.832) 0.888 4.315 ( 2.577 0.000 -0.490) 2.623 4.347 ( 0.783 0.000 5.549) 5.604 4.482 ( 1.157 0.000 -6.652) 6.752 4.647 ( -5.502 0.000 6.077) 8.198 4.846 ( 0.859 0.000 -2.558) 2.699 4.866 ( 1.888 0.000 -3.042) 3.580 4.912 ( 2.034 0.000 -2.307) 3.075 5.025 ( 0.427 0.000 8.735) 8.746 5.084 ( -2.590 0.000 3.674) 4.496 5.086 ( -2.611 0.000 -3.185) 4.119 5.102 ( -0.168 0.000 -1.351) 1.361 5.387 ( -1.260 0.000 3.474) 3.695 5.388 ( -0.761 0.000 -1.967) 2.109 5.583 ( -0.279 0.000 -1.672) 1.695 5.599 ( 1.741 0.000 -0.353) 1.777 5.721 ( 2.020 0.000 2.281) 3.047 5.724 ( -0.158 0.000 -3.661) 3.664 5.812 ( 1.355 0.000 0.497) 1.443 5.814 ( 2.374 0.000 -2.556) 3.489 5.985 ( -1.719 0.000 -1.079) 2.030 6.020 ( 0.335 0.000 0.211) 0.396 6.113 ( -3.824 0.000 -0.891) 3.927 6.181 ( 0.480 0.000 2.710) 2.752======================= Grid point 177 (87/116) =======================q-point: ( 0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 0.479 0.000 7.459) 7.474 1.213 ( -0.703 0.000 -6.613) 6.650 1.520 ( 5.121 0.000 9.934) 11.177 1.659 ( 3.528 0.000 -10.787) 11.349 2.018 ( -1.211 0.000 5.029) 5.173 2.084 ( -2.171 0.000 6.334) 6.695 2.273 ( -1.384 0.000 -1.595) 2.111 2.304 ( -5.642 0.000 -0.692) 5.685 2.358 ( 7.396 0.000 -10.071) 12.495 2.365 ( -2.319 0.000 2.217) 3.209 2.482 ( 0.682 0.000 5.453) 5.496 2.547 ( 0.407 0.000 9.403) 9.412 2.558 ( 1.410 0.000 -2.368) 2.756 2.670 ( 0.809 0.000 1.118) 1.380 2.806 ( 1.781 0.000 -1.261) 2.182 2.898 ( 4.573 0.000 -1.412) 4.786 3.026 ( -2.202 0.000 1.434) 2.628 3.059 ( -2.378 0.000 3.334) 4.095 3.160 ( -4.138 0.000 -2.197) 4.685 3.220 ( -7.462 0.000 5.560) 9.306 3.290 ( 5.111 0.000 -14.477) 15.353 3.387 ( 1.652 0.000 0.244) 1.670 3.457 ( -4.926 0.000 0.676) 4.972 3.732 ( 0.171 0.000 -3.048) 3.053 4.226 ( 1.702 0.000 1.656) 2.375 4.326 ( -1.136 0.000 4.820) 4.952 4.399 ( 3.125 0.000 -0.378) 3.147 4.499 ( 2.047 0.000 -7.351) 7.631 4.569 ( -3.207 0.000 5.292) 6.187 4.840 ( -0.961 0.000 -3.391) 3.525 4.910 ( -0.761 0.000 -3.676) 3.754 4.912 ( 2.789 0.000 -2.761) 3.925 5.014 ( -3.645 0.000 -2.660) 4.512 5.016 ( -4.576 0.000 3.949) 6.045 5.054 ( 0.218 0.000 8.521) 8.524 5.144 ( 3.370 0.000 -1.103) 3.546 5.352 ( -2.183 0.000 3.776) 4.361 5.382 ( 0.419 0.000 -0.313) 0.523 5.573 ( -0.100 0.000 -2.442) 2.444 5.616 ( -0.400 0.000 0.604) 0.724 5.725 ( 0.956 0.000 -3.361) 3.495 5.765 ( 1.507 0.000 1.871) 2.403 5.821 ( -0.527 0.000 -0.296) 0.605 5.862 ( 1.984 0.000 -1.950) 2.782 5.968 ( 0.883 0.000 -1.557) 1.789 6.017 ( -0.534 0.000 -0.297) 0.611 6.037 ( -3.037 0.000 -2.595) 3.995 6.179 ( -1.350 0.000 3.215) 3.487======================= Grid point 178 (88/116) =======================q-point: ( 0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( 3.929 0.000 -1.975) 4.397 1.279 ( 6.633 0.000 0.177) 6.635 1.611 ( 0.877 0.000 8.385) 8.431 1.672 ( -0.258 0.000 -7.380) 7.384 2.004 ( -7.362 0.000 7.585) 10.570 2.011 ( 0.093 0.000 1.726) 1.728 2.196 ( -1.867 0.000 1.939) 2.692 2.249 ( -0.890 0.000 -0.303) 0.941 2.369 ( 1.537 0.000 0.402) 1.589 2.452 ( 0.856 0.000 -2.663) 2.797 2.513 ( 4.531 0.000 -5.364) 7.022 2.552 ( -2.088 0.000 -3.371) 3.965 2.597 ( 2.316 0.000 6.944) 7.320 2.695 ( 0.669 0.000 2.726) 2.807 2.833 ( 1.556 0.000 4.530) 4.789 2.926 ( -0.758 0.000 -4.758) 4.818 2.977 ( -5.319 0.000 4.416) 6.913 3.017 ( -2.448 0.000 2.930) 3.818 3.096 ( -0.983 0.000 -1.173) 1.530 3.097 ( -3.022 0.000 1.297) 3.288 3.357 ( -6.170 0.000 5.215) 8.078 3.368 ( 5.315 0.000 -12.539) 13.619 3.484 ( 7.432 0.000 -3.452) 8.195 3.698 ( -3.071 0.000 -1.594) 3.460 4.270 ( 2.185 0.000 2.606) 3.401 4.306 ( -1.800 0.000 5.717) 5.994 4.451 ( 2.263 0.000 -0.748) 2.384 4.526 ( 2.204 0.000 -7.971) 8.270 4.552 ( 0.274 0.000 4.585) 4.593 4.795 ( -3.096 0.000 -4.416) 5.393 4.884 ( -0.157 0.000 -5.367) 5.369 4.893 ( -5.465 0.000 4.312) 6.961 4.958 ( -1.654 0.000 -0.491) 1.725 4.972 ( 0.659 0.000 -2.887) 2.961 5.074 ( -0.005 0.000 8.302) 8.302 5.196 ( 2.182 0.000 -2.880) 3.613 5.347 ( 1.204 0.000 3.366) 3.575 5.399 ( 1.046 0.000 1.179) 1.577 5.575 ( 0.964 0.000 -3.008) 3.159 5.590 ( -2.217 0.000 1.310) 2.575 5.742 ( 1.296 0.000 -2.912) 3.188 5.762 ( -1.909 0.000 0.693) 2.031 5.802 ( -0.837 0.000 0.020) 0.838 5.883 ( 0.559 0.000 0.545) 0.781 5.940 ( -2.777 0.000 -0.129) 2.780 5.999 ( -1.180 0.000 -0.842) 1.450 6.065 ( 5.402 0.000 -5.612) 7.789 6.143 ( -3.079 0.000 3.358) 4.556======================= Grid point 179 (89/116) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 0.103 0.000 2.859) 2.861 1.351 ( -2.437 0.000 -2.046) 3.182 1.572 ( -4.261 0.000 5.532) 6.983 1.684 ( 5.298 0.000 -5.071) 7.334 1.936 ( -0.373 0.000 6.024) 6.035 2.035 ( 2.586 0.000 -1.979) 3.256 2.211 ( 1.246 0.000 3.581) 3.791 2.234 ( -0.887 0.000 0.836) 1.219 2.429 ( -1.874 0.000 0.285) 1.895 2.430 ( 4.338 0.000 0.462) 4.363 2.462 ( -6.486 0.000 1.173) 6.591 2.526 ( -2.931 0.000 -3.947) 4.916 2.658 ( 3.056 0.000 1.498) 3.403 2.692 ( -0.921 0.000 1.361) 1.643 2.821 ( -4.168 0.000 4.862) 6.404 2.914 ( -1.643 0.000 0.996) 1.921 2.946 ( 2.884 0.000 5.121) 5.877 3.010 ( 3.766 0.000 -3.906) 5.426 3.096 ( 1.514 0.000 -3.462) 3.779 3.100 ( 1.779 0.000 -2.086) 2.742 3.236 ( -7.829 0.000 7.759) 11.023 3.441 ( 4.355 0.000 -8.001) 9.110 3.613 ( -5.125 0.000 -2.438) 5.676 3.616 ( 6.587 0.000 -4.155) 7.788 4.288 ( -1.377 0.000 6.157) 6.309 4.309 ( 1.171 0.000 2.819) 3.053 4.464 ( -1.260 0.000 -1.324) 1.828 4.542 ( 0.931 0.000 -7.809) 7.865 4.600 ( 3.711 0.000 5.411) 6.561 4.715 ( -3.508 0.000 -5.800) 6.778 4.801 ( -4.284 0.000 5.373) 6.872 4.907 ( 3.573 0.000 -4.674) 5.883 4.935 ( -1.132 0.000 0.808) 1.391 4.974 ( 0.153 0.000 -2.514) 2.519 5.087 ( -0.477 0.000 7.789) 7.803 5.217 ( 0.998 0.000 -4.456) 4.566 5.396 ( 2.541 0.000 1.623) 3.015 5.413 ( -0.030 0.000 0.408) 0.410 5.546 ( -2.397 0.000 1.770) 2.980 5.597 ( 1.857 0.000 -3.114) 3.625 5.720 ( -2.142 0.000 1.222) 2.466 5.751 ( 0.409 0.000 -1.989) 2.031 5.819 ( 2.453 0.000 1.451) 2.850 5.849 ( -2.800 0.000 -1.256) 3.069 5.940 ( 1.584 0.000 1.625) 2.269 5.970 ( -1.677 0.000 -1.060) 1.984 6.075 ( -4.515 0.000 2.884) 5.358 6.155 ( 4.663 0.000 -4.880) 6.750======================= Grid point 180 (90/116) =======================q-point: (-0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( -9.862 0.000 1.448) 9.968 1.272 ( -0.803 0.000 0.837) 1.160 1.519 ( -3.610 0.000 7.088) 7.954 1.770 ( 1.389 0.000 -6.492) 6.639 1.987 ( 3.833 0.000 3.356) 5.094 2.129 ( 8.047 0.000 -2.564) 8.445 2.219 ( -0.611 0.000 0.228) 0.652 2.219 ( -2.592 0.000 6.877) 7.349 2.321 ( -5.748 0.000 0.929) 5.823 2.403 ( -0.252 0.000 -2.331) 2.344 2.445 ( -4.686 0.000 6.073) 7.671 2.518 ( 2.584 0.000 -0.913) 2.741 2.699 ( 1.817 0.000 -0.931) 2.042 2.703 ( 0.744 0.000 0.586) 0.947 2.793 ( 0.903 0.000 4.280) 4.374 2.855 ( -3.731 0.000 0.309) 3.744 3.003 ( 1.018 0.000 5.823) 5.911 3.044 ( -1.501 0.000 5.709) 5.903 3.103 ( -5.339 0.000 2.235) 5.788 3.124 ( 2.225 0.000 -4.779) 5.272 3.217 ( 8.951 0.000 -6.899) 11.301 3.497 ( 2.966 0.000 -5.852) 6.560 3.511 ( -3.600 0.000 -4.977) 6.143 3.706 ( 3.345 0.000 -3.217) 4.641 4.274 ( -1.393 0.000 4.804) 5.002 4.326 ( -0.044 0.000 2.687) 2.687 4.406 ( -4.019 0.000 1.251) 4.209 4.529 ( -0.401 0.000 -7.595) 7.605 4.658 ( -0.913 0.000 -5.456) 5.532 4.703 ( 5.324 0.000 4.907) 7.240 4.764 ( -0.843 0.000 5.586) 5.650 4.909 ( -1.944 0.000 1.341) 2.362 4.974 ( 0.441 0.000 -1.571) 1.631 4.989 ( 5.344 0.000 -3.483) 6.378 5.087 ( -1.095 0.000 7.147) 7.230 5.222 ( 0.580 0.000 -5.455) 5.485 5.407 ( 0.111 0.000 -1.716) 1.720 5.421 ( -0.531 0.000 -0.601) 0.802 5.517 ( -0.673 0.000 2.236) 2.335 5.624 ( 1.213 0.000 -2.327) 2.624 5.695 ( -1.029 0.000 1.936) 2.192 5.762 ( 0.605 0.000 0.488) 0.778 5.807 ( -1.082 0.000 -0.413) 1.158 5.880 ( 2.467 0.000 1.171) 2.730 5.937 ( -0.677 0.000 -0.072) 0.681 5.977 ( 1.742 0.000 1.270) 2.156 5.991 ( -4.137 0.000 1.337) 4.348 6.217 ( 2.677 0.000 -3.983) 4.799======================= Grid point 181 (91/116) =======================q-point: (-0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( -5.060 0.000 7.826) 9.320 1.315 ( 4.222 0.000 -0.836) 4.304 1.448 ( -4.099 0.000 6.431) 7.626 1.715 ( -3.858 0.000 -8.267) 9.123 2.066 ( 3.300 0.000 1.500) 3.625 2.140 ( -4.872 0.000 8.413) 9.722 2.197 ( -0.465 0.000 -3.014) 3.050 2.279 ( 4.149 0.000 1.096) 4.292 2.286 ( 0.518 0.000 -2.093) 2.156 2.359 ( -5.364 0.000 16.724) 17.563 2.438 ( 3.189 0.000 -4.204) 5.277 2.532 ( 0.177 0.000 -0.889) 0.906 2.670 ( -3.888 0.000 1.510) 4.171 2.716 ( 0.584 0.000 -5.475) 5.506 2.767 ( -5.759 0.000 1.381) 5.922 2.841 ( 0.113 0.000 3.459) 3.461 3.022 ( 0.648 0.000 8.263) 8.288 3.039 ( 3.094 0.000 7.132) 7.774 3.097 ( 3.290 0.000 -5.997) 6.840 3.154 ( 1.748 0.000 -3.846) 4.224 3.286 ( -0.809 0.000 -0.159) 0.825 3.526 ( 1.010 0.000 -4.214) 4.334 3.537 ( 7.946 0.000 -11.859) 14.275 3.721 ( -1.398 0.000 -2.600) 2.952 4.248 ( -1.889 0.000 1.005) 2.140 4.318 ( -1.375 0.000 2.434) 2.796 4.346 ( -2.522 0.000 6.071) 6.574 4.505 ( -0.301 0.000 -7.443) 7.450 4.662 ( 2.417 0.000 -3.910) 4.596 4.766 ( 0.464 0.000 3.921) 3.948 4.814 ( 3.632 0.000 5.500) 6.591 4.867 ( -2.417 0.000 0.946) 2.595 4.988 ( 1.270 0.000 -0.125) 1.276 5.071 ( -1.832 0.000 5.606) 5.898 5.083 ( 4.807 0.000 -2.749) 5.537 5.213 ( -0.395 0.000 -5.940) 5.953 5.391 ( -1.698 0.000 -0.734) 1.850 5.427 ( 2.511 0.000 -3.125) 4.009 5.525 ( 0.720 0.000 1.857) 1.992 5.618 ( -2.067 0.000 0.125) 2.071 5.677 ( -1.153 0.000 1.297) 1.736 5.756 ( -1.372 0.000 1.868) 2.318 5.805 ( 0.435 0.000 1.316) 1.387 5.864 ( -2.299 0.000 -1.874) 2.966 5.945 ( -0.078 0.000 0.658) 0.662 5.997 ( 4.416 0.000 1.582) 4.690 6.009 ( 1.312 0.000 0.481) 1.398 6.241 ( 0.523 0.000 -2.967) 3.013======================= Grid point 182 (92/116) =======================q-point: (-0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 3.186 0.000 13.834) 14.196 1.305 ( -5.231 0.000 15.879) 16.719 1.485 ( 5.620 0.000 -11.828) 13.095 1.629 ( -2.671 0.000 -10.145) 10.490 2.091 ( -0.891 0.000 8.687) 8.733 2.137 ( 3.689 0.000 -2.614) 4.521 2.163 ( -3.417 0.000 1.898) 3.909 2.268 ( -5.428 0.000 19.776) 20.508 2.301 ( 1.246 0.000 -1.469) 1.927 2.324 ( -0.318 0.000 -2.382) 2.403 2.477 ( 0.458 0.000 -2.421) 2.463 2.542 ( 1.134 0.000 -0.933) 1.468 2.600 ( -2.881 0.000 2.421) 3.763 2.687 ( -1.958 0.000 1.669) 2.573 2.706 ( -0.377 0.000 -5.779) 5.791 2.792 ( -3.778 0.000 -1.501) 4.066 3.089 ( 3.628 0.000 3.084) 4.762 3.126 ( 2.298 0.000 2.606) 3.474 3.135 ( 0.585 0.000 -0.204) 0.620 3.185 ( 2.521 0.000 1.578) 2.974 3.323 ( 6.313 0.000 -1.506) 6.490 3.518 ( -1.180 0.000 -1.142) 1.641 3.641 ( -6.158 0.000 -2.285) 6.568 3.664 ( 6.491 0.000 -13.393) 14.883 4.225 ( 0.014 0.000 -0.415) 0.415 4.282 ( -2.626 0.000 1.562) 3.056 4.330 ( -0.878 0.000 7.683) 7.733 4.490 ( 0.132 0.000 -6.883) 6.884 4.730 ( 5.041 0.000 -1.758) 5.339 4.768 ( -1.438 0.000 4.935) 5.140 4.833 ( -0.888 0.000 -0.765) 1.172 4.865 ( 0.822 0.000 2.939) 3.052 5.005 ( -0.749 0.000 3.685) 3.761 5.067 ( 1.447 0.000 2.379) 2.784 5.146 ( 1.779 0.000 -2.180) 2.813 5.184 ( -1.205 0.000 -6.366) 6.479 5.366 ( -0.688 0.000 0.048) 0.690 5.463 ( 0.184 0.000 -3.516) 3.521 5.547 ( 1.106 0.000 1.832) 2.140 5.565 ( -1.568 0.000 2.216) 2.715 5.667 ( 0.019 0.000 1.625) 1.625 5.742 ( -0.138 0.000 0.429) 0.450 5.810 ( -0.398 0.000 0.877) 0.963 5.812 ( -2.394 0.000 -2.150) 3.218 5.969 ( 1.882 0.000 0.386) 1.921 6.025 ( 0.267 0.000 -0.310) 0.409 6.084 ( 3.906 0.000 1.915) 4.350 6.226 ( -1.475 0.000 -1.784) 2.315======================= Grid point 183 (93/116) =======================q-point: ( 0.00 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 2.965 5.935 14.048) 15.536 1.313 ( -1.898 4.522 14.096) 14.925 1.517 ( -2.188 2.621 -9.463) 10.060 1.628 ( 1.480 3.944 -12.541) 13.230 2.028 ( -0.418 -1.969 5.718) 6.062 2.112 ( 0.394 -3.925 -2.258) 4.545 2.230 ( -4.263 2.261 5.521) 7.333 2.246 ( 5.020 -2.686 4.061) 6.993 2.288 ( -1.280 -2.494 1.005) 2.978 2.334 ( 1.403 2.036 2.077) 3.229 2.420 ( -1.083 -2.669 2.175) 3.609 2.521 ( -0.484 -3.223 -1.108) 3.442 2.562 ( 0.557 -1.402 1.321) 2.005 2.667 ( 0.259 -1.043 -6.678) 6.763 2.736 ( 1.160 3.237 2.294) 4.134 2.807 ( -0.066 6.522 -3.494) 7.399 3.062 ( -0.664 -2.798 3.309) 4.384 3.108 ( -0.581 -1.998 -1.439) 2.530 3.191 ( 2.661 0.823 3.782) 4.696 3.276 ( -0.892 1.853 -3.224) 3.824 3.420 ( 6.977 -2.111 0.472) 7.305 3.452 ( -5.229 -2.950 -3.398) 6.898 3.540 ( -5.833 3.794 6.349) 9.420 3.750 ( 2.983 2.677 -11.270) 11.962 4.220 ( -0.846 1.167 0.860) 1.678 4.242 ( 1.059 0.471 -1.135) 1.622 4.423 ( -1.005 5.843 6.880) 9.082 4.566 ( 0.636 4.992 -6.109) 7.915 4.733 ( -2.914 1.420 4.918) 5.890 4.808 ( 3.349 -1.656 -1.794) 4.145 4.840 ( 2.376 0.959 0.431) 2.598 4.875 ( -0.885 0.661 -1.768) 2.085 4.986 ( -0.492 -1.106 5.096) 5.238 5.077 ( -1.003 -1.567 -1.546) 2.419 5.161 ( -0.139 2.346 0.274) 2.366 5.174 ( -1.821 2.447 -2.067) 3.684 5.366 ( 1.138 -0.711 1.381) 1.926 5.404 ( -1.921 -1.483 -1.607) 2.911 5.538 ( 0.107 -3.438 0.128) 3.442 5.550 ( 1.087 -2.305 -1.570) 2.993 5.667 ( 1.868 -3.510 3.555) 5.333 5.734 ( 0.820 -2.296 -0.275) 2.453 5.750 ( -0.036 -1.644 -0.730) 1.799 5.757 ( -0.662 -2.140 -3.502) 4.158 6.033 ( 0.954 2.461 0.566) 2.700 6.046 ( -0.684 2.486 -0.696) 2.670 6.149 ( 2.212 0.092 2.272) 3.172 6.182 ( -2.777 0.115 -0.887) 2.917======================= Grid point 184 (94/116) =======================q-point: ( 0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( -3.431 5.151 11.162) 12.763 1.325 ( -0.012 5.516 3.971) 6.797 1.472 ( 0.459 3.619 0.107) 3.650 1.645 ( 3.300 3.982 -12.212) 13.262 2.021 ( -0.991 -1.417 3.951) 4.312 2.099 ( -1.571 -0.869 2.286) 2.907 2.197 ( 0.547 -3.878 -2.714) 4.765 2.263 ( -1.053 -3.490 -0.227) 3.652 2.348 ( 3.334 -3.989 2.669) 5.844 2.379 ( 0.159 1.223 -1.841) 2.216 2.413 ( 1.612 -0.564 8.784) 8.949 2.503 ( -0.994 -3.239 1.539) 3.721 2.561 ( -1.041 -0.745 1.544) 2.006 2.652 ( -0.213 -2.190 -6.031) 6.420 2.804 ( 4.340 4.711 1.109) 6.501 2.829 ( 2.275 2.880 -1.096) 3.830 3.036 ( -3.285 -2.244 3.087) 5.035 3.092 ( -1.090 -1.450 0.942) 2.044 3.202 ( -1.525 -0.534 -3.443) 3.804 3.256 ( 1.987 2.516 -4.136) 5.233 3.348 ( -2.904 -1.037 -3.166) 4.419 3.436 ( -6.990 1.391 7.564) 10.392 3.530 ( 2.585 1.763 0.983) 3.279 3.767 ( 1.379 4.081 -8.052) 9.132 4.221 ( 0.959 1.506 1.067) 2.080 4.284 ( 2.999 -0.196 -1.434) 3.330 4.415 ( -1.083 5.189 6.062) 8.053 4.551 ( -1.296 3.316 -2.845) 4.557 4.679 ( -2.617 3.969 1.074) 4.874 4.850 ( 1.476 -1.216 -2.297) 2.989 4.851 ( 0.578 0.681 -2.979) 3.110 4.909 ( 2.496 -0.730 -0.652) 2.681 4.982 ( -1.124 -2.692 6.599) 7.215 5.039 ( -2.306 -1.500 -0.873) 2.887 5.137 ( -1.649 3.313 0.728) 3.772 5.148 ( -0.832 2.684 0.956) 2.968 5.371 ( -1.195 -1.440 -0.225) 1.885 5.383 ( -0.730 -0.684 1.548) 1.843 5.515 ( -0.997 -5.340 -1.966) 5.777 5.594 ( 2.799 -1.314 -0.358) 3.113 5.716 ( -0.843 0.222 -1.642) 1.859 5.727 ( 2.450 -4.664 2.230) 5.721 5.761 ( 2.224 -0.461 -2.003) 3.029 5.784 ( 2.525 -3.033 -3.178) 5.067 6.018 ( -1.879 2.583 -0.898) 3.318 6.040 ( -0.238 1.882 0.375) 1.933 6.115 ( -3.839 0.196 -0.978) 3.966 6.179 ( 0.320 -0.201 2.717) 2.743======================= Grid point 185 (95/116) =======================q-point: ( 0.25 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -1.012 3.575 2.920) 4.726 1.321 ( 0.481 8.585 -2.110) 8.854 1.541 ( 4.300 2.257 8.351) 9.660 1.692 ( 3.283 3.167 -9.758) 10.772 2.006 ( -1.659 -2.039 4.091) 4.862 2.073 ( -1.667 -0.706 3.902) 4.301 2.210 ( 0.037 -5.637 -1.718) 5.894 2.261 ( 0.797 -5.702 -2.273) 6.190 2.280 ( -6.490 -1.511 0.686) 6.698 2.410 ( 3.504 -0.536 -4.058) 5.389 2.492 ( 1.959 0.412 3.900) 4.384 2.509 ( 1.367 -3.499 1.637) 4.098 2.543 ( -0.852 -0.335 5.724) 5.797 2.632 ( -1.055 -3.470 -2.724) 4.536 2.815 ( -1.154 0.105 0.823) 1.422 2.921 ( 1.349 -0.543 0.986) 1.757 2.952 ( -1.693 -2.559 1.587) 3.454 3.071 ( -1.267 -0.537 1.688) 2.178 3.181 ( -0.384 2.936 -3.663) 4.710 3.277 ( -6.670 5.101 5.991) 10.315 3.339 ( 7.157 4.801 -11.296) 14.208 3.359 ( 0.643 -1.759 2.022) 2.756 3.522 ( -2.533 5.333 0.020) 5.904 3.770 ( -0.508 3.318 -2.720) 4.321 4.257 ( 2.232 2.258 1.816) 3.658 4.327 ( 0.910 1.287 0.664) 1.711 4.419 ( 0.971 1.710 2.439) 3.133 4.516 ( -1.546 2.694 1.277) 3.358 4.647 ( -0.717 5.261 -3.248) 6.224 4.835 ( -1.040 -0.323 -3.126) 3.310 4.897 ( 2.724 -0.700 -2.644) 3.860 4.912 ( -1.592 -0.652 -1.711) 2.426 4.963 ( -2.015 -3.186 1.675) 4.125 4.995 ( -2.423 -1.330 2.839) 3.962 5.105 ( -1.632 3.360 3.113) 4.862 5.162 ( 1.675 1.528 0.646) 2.357 5.339 ( -1.711 -1.260 1.440) 2.567 5.377 ( 0.245 -0.513 1.468) 1.574 5.507 ( 0.567 -5.038 -2.001) 5.450 5.628 ( 0.170 -0.363 1.314) 1.373 5.696 ( -0.047 -1.587 -3.238) 3.606 5.770 ( 0.778 -3.957 0.443) 4.057 5.797 ( 1.804 1.715 0.808) 2.617 5.841 ( 3.139 -2.565 -4.677) 6.189 5.983 ( -1.055 1.405 -0.849) 1.951 6.021 ( -2.395 0.610 0.152) 2.476 6.045 ( -1.765 0.570 -2.677) 3.257 6.174 ( -1.446 -0.498 3.091) 3.449======================= Grid point 186 (96/116) =======================q-point: ( 0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 5.202 2.625 -0.331) 5.836 1.359 ( 3.580 7.132 -1.301) 8.085 1.609 ( 0.264 0.121 4.682) 4.691 1.709 ( -0.861 3.021 -3.739) 4.883 1.962 ( -3.795 -2.737 5.815) 7.463 2.038 ( -2.248 1.200 1.647) 3.034 2.150 ( -1.553 -3.882 2.541) 4.893 2.223 ( -0.456 -2.462 1.286) 2.815 2.314 ( 3.504 -5.338 -4.171) 7.627 2.445 ( -1.807 -0.944 0.310) 2.062 2.502 ( 1.836 -1.788 -8.127) 8.522 2.531 ( -1.244 -0.556 1.203) 1.817 2.560 ( 2.122 -7.016 2.647) 7.793 2.619 ( 0.354 -3.583 3.679) 5.148 2.795 ( -1.571 -1.843 2.889) 3.770 2.827 ( -4.252 -5.611 -0.676) 7.072 3.030 ( 3.605 2.541 -0.718) 4.469 3.058 ( -0.492 0.512 1.163) 1.362 3.158 ( -1.620 5.277 0.193) 5.523 3.164 ( -4.470 7.428 3.678) 9.418 3.393 ( 2.119 2.632 1.024) 3.530 3.453 ( -0.408 7.183 -3.472) 7.988 3.504 ( 6.809 2.916 -5.043) 8.961 3.723 ( -3.991 2.362 -1.104) 4.767 4.305 ( 2.008 2.452 2.712) 4.171 4.324 ( -1.085 2.440 3.709) 4.570 4.457 ( 2.416 -0.497 -1.015) 2.667 4.515 ( 1.034 3.251 1.820) 3.867 4.630 ( -0.316 3.929 -3.938) 5.572 4.785 ( -3.763 -1.082 -2.931) 4.891 4.864 ( -2.976 -0.984 1.285) 3.388 4.901 ( -1.509 0.096 -3.341) 3.667 4.948 ( 0.552 -1.040 -0.623) 1.333 4.970 ( -0.190 -0.489 -0.517) 0.737 5.094 ( -0.716 1.886 6.011) 6.341 5.193 ( 1.378 -0.319 -1.440) 2.019 5.334 ( 0.993 -1.148 1.652) 2.243 5.394 ( 0.852 -0.448 1.491) 1.774 5.525 ( 1.426 -3.238 -0.324) 3.552 5.614 ( -1.160 0.657 0.631) 1.475 5.698 ( 0.479 -2.627 -2.142) 3.424 5.776 ( 0.326 -2.183 -0.014) 2.207 5.798 ( -2.169 1.259 -1.722) 3.042 5.860 ( -0.143 -2.092 -0.310) 2.119 5.943 ( -2.237 0.413 0.069) 2.276 5.999 ( -0.704 0.190 -1.090) 1.312 6.061 ( 4.268 -0.459 -4.669) 6.342 6.137 ( -3.026 -0.600 3.105) 4.377======================= Grid point 187 (97/116) =======================q-point: (-0.50 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 0.999 4.575 2.222) 5.184 1.379 ( -3.433 2.695 -0.784) 4.435 1.594 ( -3.445 1.949 4.001) 5.628 1.681 ( 4.584 -0.458 -4.273) 6.283 1.937 ( -0.098 0.098 5.768) 5.770 2.032 ( 1.459 -0.516 -1.082) 1.888 2.174 ( 1.632 -3.473 4.153) 5.654 2.212 ( -1.139 -1.953 0.929) 2.444 2.350 ( -3.666 -6.809 -0.345) 7.741 2.392 ( 1.734 -4.104 -2.022) 4.892 2.469 ( -4.318 -0.596 1.814) 4.721 2.492 ( -1.324 -1.161 0.306) 1.787 2.607 ( 1.540 -4.415 -0.443) 4.696 2.664 ( 2.379 -4.240 -2.665) 5.544 2.771 ( -0.204 -4.070 1.852) 4.476 2.802 ( 1.326 -2.735 -0.297) 3.054 3.016 ( -3.585 3.095 3.824) 6.087 3.090 ( 1.732 1.060 -1.454) 2.497 3.130 ( 0.721 6.811 0.680) 6.883 3.169 ( 3.538 6.412 -3.233) 8.005 3.350 ( -6.329 9.634 7.291) 13.640 3.478 ( 3.053 2.267 -3.148) 4.937 3.614 ( -3.551 0.725 -2.156) 4.217 3.650 ( 5.044 3.565 -5.534) 8.293 4.308 ( -1.147 2.124 5.118) 5.659 4.341 ( 0.866 2.494 1.995) 3.309 4.487 ( -0.152 2.175 -0.887) 2.354 4.545 ( 1.789 1.502 -2.659) 3.539 4.629 ( 1.416 1.951 0.761) 2.528 4.703 ( -3.224 -1.099 -3.301) 4.743 4.805 ( -2.998 0.548 3.681) 4.778 4.902 ( 2.207 -0.522 -4.585) 5.116 4.936 ( -1.361 -0.018 1.346) 1.914 4.980 ( 1.056 0.034 -2.776) 2.970 5.096 ( -0.464 1.066 6.758) 6.857 5.209 ( 0.981 -0.863 -3.578) 3.809 5.371 ( 1.710 -2.106 1.379) 3.043 5.400 ( -0.307 -0.870 -0.459) 1.030 5.545 ( -0.171 -0.323 2.873) 2.896 5.609 ( 1.069 0.995 -2.757) 3.120 5.700 ( -0.318 -2.239 1.158) 2.541 5.741 ( -1.881 -1.091 -2.368) 3.215 5.802 ( 1.893 -1.622 0.905) 2.652 5.822 ( -2.406 -2.233 -0.825) 3.384 5.946 ( 1.480 0.737 1.217) 2.053 5.973 ( -1.464 0.347 -1.416) 2.066 6.072 ( -4.228 -0.403 2.611) 4.985 6.143 ( 4.476 -1.241 -4.369) 6.377======================= Grid point 188 (98/116) =======================q-point: (-0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( -7.995 3.787 1.221) 8.931 1.332 ( -0.935 5.955 1.312) 6.169 1.543 ( -3.022 2.288 6.149) 7.223 1.775 ( 1.361 0.279 -5.093) 5.279 1.977 ( 3.280 -1.403 2.888) 4.590 2.092 ( 4.495 -4.414 2.735) 6.868 2.162 ( -3.393 -3.801 0.496) 5.119 2.203 ( 0.044 -2.387 2.595) 3.527 2.270 ( -1.782 -3.493 -0.810) 4.005 2.383 ( -1.228 -2.005 0.568) 2.418 2.446 ( -1.222 0.438 1.369) 1.887 2.508 ( 2.919 -2.314 1.492) 4.013 2.618 ( -0.212 -4.023 -1.255) 4.220 2.671 ( 0.274 -2.301 -1.249) 2.633 2.810 ( 2.277 -0.481 -0.709) 2.433 2.826 ( 1.224 -5.206 1.411) 5.531 2.978 ( -0.920 1.741 2.066) 2.854 3.082 ( -1.322 0.839 -0.047) 1.566 3.162 ( 1.301 5.702 -1.369) 6.007 3.212 ( -5.894 8.587 9.177) 13.882 3.286 ( 5.259 6.093 -4.976) 9.463 3.486 ( -2.559 -0.298 -3.319) 4.202 3.542 ( 0.572 2.047 -4.164) 4.675 3.747 ( 3.945 3.851 -3.505) 6.534 4.294 ( -1.514 2.004 4.208) 4.901 4.348 ( -0.636 2.215 1.499) 2.749 4.446 ( -2.891 3.498 0.974) 4.641 4.557 ( 0.553 2.755 -6.561) 7.137 4.658 ( -0.583 -0.177 -3.142) 3.200 4.704 ( 4.733 -0.072 4.527) 6.550 4.778 ( -0.711 1.567 4.301) 4.633 4.906 ( -1.903 -0.227 1.153) 2.237 4.947 ( 2.573 -1.991 -2.963) 4.400 5.001 ( 1.908 0.410 -1.588) 2.516 5.105 ( 0.172 1.561 5.726) 5.937 5.218 ( 0.688 -0.378 -4.760) 4.824 5.374 ( -0.626 -2.548 -1.231) 2.898 5.404 ( 0.368 -1.726 -0.208) 1.776 5.529 ( -1.499 1.143 0.678) 2.003 5.631 ( 1.440 0.141 -2.239) 2.666 5.679 ( -1.513 -1.555 0.460) 2.218 5.735 ( -0.183 -3.540 2.896) 4.577 5.779 ( -1.007 -1.465 -0.129) 1.782 5.860 ( 2.359 -1.897 0.531) 3.073 5.946 ( -0.167 0.780 -0.613) 1.006 5.980 ( 0.592 0.559 0.564) 0.990 6.000 ( -2.172 0.611 1.595) 2.763 6.205 ( 2.723 -1.275 -3.577) 4.673======================= Grid point 189 (99/116) =======================q-point: (-0.25 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -4.008 6.594 7.302) 10.623 1.377 ( 4.578 5.910 -1.255) 7.580 1.478 ( -4.447 2.996 7.035) 8.845 1.721 ( -3.637 0.572 -7.096) 7.994 2.030 ( -0.073 -3.867 4.295) 5.780 2.079 ( -1.627 -3.485 4.169) 5.672 2.160 ( 0.510 -4.568 -1.815) 4.942 2.254 ( 2.936 -1.855 -0.100) 3.474 2.274 ( 1.076 -1.734 2.257) 3.043 2.396 ( 2.478 0.488 1.569) 2.974 2.422 ( -1.706 1.413 3.400) 4.058 2.527 ( -1.224 -1.364 0.007) 1.833 2.601 ( -1.408 -6.022 -0.158) 6.186 2.674 ( 0.314 -2.565 -5.168) 5.779 2.812 ( -1.681 2.227 1.652) 3.242 2.885 ( 1.635 1.703 4.807) 5.355 2.981 ( 1.685 -0.400 0.346) 1.766 3.032 ( -1.749 1.073 3.709) 4.239 3.146 ( 0.167 0.937 -2.392) 2.574 3.183 ( -1.015 4.381 3.239) 5.542 3.339 ( 0.820 3.834 -1.551) 4.216 3.488 ( 3.178 -1.485 -6.274) 7.189 3.568 ( 3.316 2.560 -4.897) 6.444 3.770 ( -1.084 3.869 -2.820) 4.909 4.265 ( -2.058 1.149 2.176) 3.208 4.316 ( -2.645 3.183 0.034) 4.139 4.419 ( -0.592 3.510 5.136) 6.249 4.553 ( 0.681 4.272 -6.832) 8.086 4.664 ( 1.904 0.226 -2.424) 3.091 4.775 ( 0.235 0.661 2.698) 2.787 4.805 ( 2.746 -0.201 5.602) 6.242 4.875 ( -1.047 0.768 1.099) 1.701 4.977 ( 1.137 -1.702 -1.143) 2.345 5.039 ( 1.641 -0.647 0.599) 1.863 5.132 ( 1.772 2.773 1.992) 3.847 5.211 ( -0.323 -0.159 -5.045) 5.058 5.364 ( -0.276 -2.143 -1.311) 2.527 5.415 ( 1.468 -1.989 -1.108) 2.709 5.503 ( -0.820 -0.822 -1.615) 1.989 5.642 ( -2.374 -3.032 0.527) 3.887 5.648 ( -0.376 1.926 0.614) 2.056 5.719 ( -1.466 -5.258 4.366) 6.990 5.768 ( -0.717 -1.621 0.537) 1.853 5.854 ( -2.088 -1.223 -2.210) 3.277 5.966 ( 0.900 1.677 0.688) 2.024 5.998 ( 4.140 0.132 1.571) 4.430 6.024 ( 1.828 1.514 0.190) 2.381 6.232 ( 0.737 -0.944 -2.651) 2.909======================= Grid point 190 (100/116) =======================q-point: (-0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 2.838 7.075 12.322) 14.490 1.357 ( -5.571 4.856 15.147) 16.853 1.518 ( 5.263 3.443 -10.601) 12.326 1.646 ( -1.805 1.693 -9.900) 10.205 2.016 ( -0.551 -3.911 6.724) 7.798 2.098 ( 1.354 -3.302 -1.235) 3.776 2.174 ( 1.779 -3.392 0.499) 3.862 2.278 ( -0.640 -0.340 2.532) 2.634 2.290 ( 0.389 -0.676 4.162) 4.235 2.368 ( -5.189 4.908 7.986) 10.714 2.436 ( 0.064 -3.445 -2.747) 4.406 2.511 ( 1.035 -1.945 -1.173) 2.496 2.568 ( -1.734 -4.012 1.587) 4.650 2.669 ( 0.489 -0.730 -5.724) 5.791 2.753 ( -3.191 3.943 3.698) 6.278 2.855 ( -3.579 5.877 -2.198) 7.224 3.036 ( 2.958 -3.407 5.335) 6.987 3.112 ( 4.531 -1.439 -1.357) 4.944 3.134 ( -0.599 -0.838 -2.461) 2.668 3.206 ( 4.747 2.406 4.242) 6.806 3.356 ( 1.075 1.307 -2.307) 2.861 3.504 ( -0.392 -1.168 -1.419) 1.879 3.630 ( -0.034 1.052 -2.011) 2.270 3.716 ( -0.422 3.496 -7.824) 8.579 4.233 ( -1.243 0.243 0.719) 1.457 4.265 ( -2.386 2.854 -0.220) 3.727 4.424 ( -0.508 4.971 6.878) 8.501 4.559 ( 1.288 4.984 -6.957) 8.654 4.718 ( 3.669 -0.635 -0.541) 3.763 4.775 ( -0.770 0.869 4.059) 4.222 4.825 ( -0.302 0.041 0.183) 0.356 4.885 ( 0.474 1.576 1.875) 2.495 4.985 ( -0.280 -1.881 2.032) 2.783 5.072 ( 1.695 0.210 -0.638) 1.823 5.159 ( 0.310 1.104 0.421) 1.222 5.196 ( 0.056 1.554 -4.723) 4.972 5.357 ( -0.193 -0.902 -0.406) 1.008 5.438 ( -0.052 -2.626 -1.451) 3.001 5.507 ( 1.863 -1.936 -2.112) 3.417 5.570 ( -3.381 -2.022 2.148) 4.487 5.649 ( -0.235 -1.517 3.287) 3.628 5.717 ( 0.533 -3.076 0.826) 3.229 5.755 ( -0.679 -3.664 0.197) 3.731 5.802 ( -2.472 -0.871 -2.766) 3.810 6.002 ( 1.999 2.456 0.634) 3.229 6.046 ( 0.789 1.850 -0.188) 2.020 6.086 ( 3.821 0.337 1.805) 4.239 6.223 ( -1.177 -0.376 -1.634) 2.049======================= Grid point 191 (101/116) =======================q-point: ( 0.00 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 2.114 9.468 9.967) 13.909 1.433 ( -1.110 7.667 9.741) 12.446 1.601 ( -2.271 5.698 -5.787) 8.433 1.706 ( 3.082 3.194 -11.178) 12.026 1.997 ( -0.856 -1.843 1.485) 2.516 2.020 ( 1.509 -3.993 -0.536) 4.302 2.119 ( 3.669 -8.047 4.305) 9.836 2.183 ( -2.260 -6.287 -1.896) 6.944 2.278 ( -3.453 -1.160 4.265) 5.609 2.364 ( 2.107 -0.740 -2.699) 3.503 2.403 ( -0.917 0.956 4.235) 4.438 2.471 ( -0.011 -1.171 -2.427) 2.695 2.537 ( 0.727 -0.125 2.513) 2.619 2.638 ( -1.154 -1.596 -6.119) 6.428 2.856 ( -0.521 8.627 5.599) 10.298 2.935 ( -1.130 5.061 -1.505) 5.400 3.020 ( 0.203 -1.516 2.512) 2.941 3.068 ( -0.489 -1.711 -1.174) 2.132 3.194 ( 3.005 -0.209 2.514) 3.923 3.273 ( -1.938 -1.166 -4.425) 4.970 3.394 ( 6.524 -0.826 0.674) 6.611 3.409 ( -3.947 -1.414 -0.777) 4.264 3.623 ( -5.083 4.341 7.856) 10.315 3.783 ( 2.838 0.290 -6.507) 7.105 4.289 ( 2.296 4.566 -0.484) 5.133 4.296 ( -2.695 5.251 -1.404) 6.067 4.503 ( -0.584 1.956 5.238) 5.622 4.590 ( 0.273 -1.684 -2.460) 2.994 4.775 ( 1.912 -0.936 4.651) 5.115 4.788 ( -2.020 1.288 2.014) 3.130 4.861 ( 2.004 0.862 -0.558) 2.252 4.887 ( -1.363 0.505 -2.857) 3.205 5.011 ( -0.474 4.368 -0.728) 4.453 5.059 ( 0.204 0.551 -2.190) 2.268 5.215 ( 0.085 2.941 1.191) 3.174 5.225 ( -1.707 2.627 -0.736) 3.219 5.338 ( 0.036 -2.375 1.593) 2.860 5.375 ( -0.761 -0.980 -1.355) 1.837 5.447 ( -1.747 -5.235 1.204) 5.649 5.505 ( 1.788 -3.584 -3.242) 5.153 5.552 ( 1.770 -5.697 2.278) 6.386 5.638 ( 0.658 -5.835 -4.346) 7.305 5.736 ( 1.905 0.079 -0.140) 1.911 5.752 ( -1.061 -0.305 -1.762) 2.079 6.081 ( 0.718 2.248 0.842) 2.506 6.095 ( -0.292 2.209 -0.449) 2.273 6.154 ( 1.602 0.433 2.097) 2.674 6.184 ( -2.261 0.011 -0.753) 2.383======================= Grid point 192 (102/116) =======================q-point: ( 0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -3.885 8.733 7.613) 12.219 1.464 ( 2.358 8.423 4.216) 9.710 1.570 ( 0.946 6.073 -1.996) 6.463 1.734 ( 2.345 3.934 -10.823) 11.752 1.970 ( -1.769 -3.058 1.184) 3.726 2.046 ( 0.785 -3.613 -0.965) 3.821 2.118 ( -1.951 -5.108 -2.972) 6.224 2.195 ( -0.768 -4.322 2.067) 4.852 2.233 ( 1.245 -5.871 5.342) 8.034 2.367 ( -3.314 0.819 0.734) 3.492 2.422 ( 2.113 -4.193 1.407) 4.902 2.472 ( 1.567 2.013 -1.426) 2.922 2.551 ( -0.050 -0.122 2.781) 2.784 2.596 ( -1.835 -2.457 -5.355) 6.170 2.851 ( -1.791 0.878 1.491) 2.490 2.912 ( -0.517 3.788 3.877) 5.445 3.002 ( -5.747 -1.781 2.207) 6.409 3.039 ( -0.720 -3.662 1.419) 3.993 3.216 ( 1.899 1.775 -1.683) 3.097 3.309 ( 0.166 -1.193 -3.137) 3.360 3.332 ( 4.419 4.991 -2.384) 7.080 3.486 ( -1.732 3.449 1.604) 4.179 3.597 ( 2.262 4.183 6.565) 8.106 3.822 ( 1.853 0.553 -4.796) 5.171 4.261 ( -0.214 3.130 -0.115) 3.139 4.347 ( 3.432 5.614 -0.263) 6.585 4.475 ( -2.744 0.407 3.369) 4.364 4.602 ( 0.719 1.635 0.317) 1.814 4.739 ( -2.309 1.764 -0.130) 2.909 4.820 ( 0.662 -2.875 2.744) 4.029 4.857 ( 0.007 -1.102 -1.809) 2.119 4.892 ( 0.564 0.426 -0.708) 1.000 4.971 ( -2.568 1.597 -0.037) 3.025 5.055 ( -1.161 3.693 -1.998) 4.356 5.191 ( -1.315 1.665 2.073) 2.966 5.204 ( -1.221 3.199 1.323) 3.671 5.333 ( -1.180 -2.305 0.258) 2.602 5.363 ( -0.724 -1.273 0.864) 1.700 5.401 ( -1.193 -5.402 -0.829) 5.594 5.555 ( 2.899 -3.329 -0.883) 4.502 5.608 ( 3.052 -5.422 0.996) 6.301 5.671 ( 2.826 -5.048 -4.836) 7.540 5.737 ( 1.104 0.468 -3.426) 3.630 5.781 ( 2.289 0.127 -0.670) 2.388 6.063 ( -2.308 1.864 -0.555) 3.018 6.085 ( -0.782 2.326 0.195) 2.462 6.119 ( -3.966 0.294 -0.611) 4.023 6.174 ( -0.216 -0.324 2.453) 2.484======================= Grid point 193 (103/116) =======================q-point: ( 0.25 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( -2.798 7.896 2.781) 8.827 1.514 ( 1.681 10.271 -2.494) 10.703 1.606 ( 2.005 4.183 4.712) 6.612 1.759 ( 1.958 2.320 -7.664) 8.243 1.938 ( -2.025 -3.486 3.083) 5.075 2.042 ( -0.147 -3.029 -2.331) 3.824 2.107 ( 0.746 -4.267 -2.698) 5.103 2.156 ( -2.626 -3.993 3.026) 5.657 2.258 ( -3.015 -3.777 -0.295) 4.841 2.316 ( 1.088 -3.182 4.148) 5.339 2.447 ( 0.545 -5.365 -1.706) 5.656 2.507 ( 0.817 0.248 -3.120) 3.234 2.528 ( -2.083 -1.649 1.879) 3.254 2.567 ( -0.725 -1.115 0.882) 1.596 2.787 ( -3.489 -1.900 1.548) 4.263 2.863 ( -5.924 -2.413 -0.383) 6.408 2.970 ( 3.643 0.697 1.785) 4.116 3.035 ( -0.108 -3.049 2.597) 4.007 3.242 ( 0.911 3.075 -0.399) 3.232 3.331 ( 2.390 -0.415 0.559) 2.490 3.424 ( -2.399 8.970 6.838) 11.532 3.476 ( 7.879 8.612 -7.436) 13.839 3.629 ( -0.616 5.069 0.203) 5.111 3.824 ( -1.111 1.238 -0.687) 1.800 4.289 ( 2.571 1.660 1.379) 3.356 4.400 ( 0.429 4.079 0.514) 4.133 4.440 ( 0.305 1.716 1.978) 2.636 4.609 ( -0.179 5.110 2.203) 5.568 4.699 ( -1.657 0.640 -2.112) 2.760 4.819 ( -0.447 -1.812 -3.535) 3.997 4.865 ( -1.372 -3.303 0.613) 3.629 4.887 ( 0.625 -1.895 1.040) 2.251 4.923 ( -2.305 -0.558 0.146) 2.376 5.012 ( -2.403 3.123 -1.800) 4.332 5.161 ( -2.111 2.263 1.231) 3.331 5.199 ( -0.284 2.166 2.610) 3.403 5.306 ( -0.673 -1.885 0.020) 2.001 5.361 ( 0.680 -1.076 1.734) 2.151 5.415 ( 2.014 -3.396 -0.084) 3.950 5.590 ( 0.539 -3.663 1.600) 4.034 5.652 ( 1.403 -3.087 -1.851) 3.863 5.699 ( 1.393 -2.931 -2.846) 4.317 5.788 ( 3.742 -1.649 -5.189) 6.607 5.819 ( 1.569 0.277 -0.401) 1.642 6.008 ( -2.976 1.005 -0.477) 3.177 6.038 ( -3.606 0.495 -1.285) 3.860 6.063 ( -1.339 1.657 -0.555) 2.201 6.160 ( -1.740 -0.935 2.565) 3.237======================= Grid point 194 (104/116) =======================q-point: ( 0.38 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 3.839 5.349 0.865) 6.640 1.527 ( 0.331 9.196 -2.158) 9.452 1.618 ( -2.188 0.589 2.548) 3.409 1.750 ( -2.953 -0.065 -2.367) 3.785 1.917 ( -0.025 -0.876 5.328) 5.400 2.039 ( -0.925 -1.224 -2.720) 3.123 2.075 ( -1.125 -3.241 2.775) 4.412 2.169 ( 2.821 -3.911 -0.168) 4.825 2.214 ( -0.716 -3.110 -2.728) 4.198 2.347 ( -1.241 -6.728 1.172) 6.941 2.407 ( -2.330 -7.498 -1.691) 8.032 2.487 ( -0.425 -0.217 0.460) 0.663 2.539 ( -1.075 -3.218 -1.912) 3.894 2.542 ( 0.673 -0.598 1.582) 1.820 2.753 ( 0.017 -0.557 0.628) 0.839 2.795 ( -1.723 0.229 -0.315) 1.767 3.043 ( 3.235 -0.775 -0.131) 3.329 3.048 ( 0.893 -1.361 2.187) 2.726 3.260 ( 1.239 4.750 0.211) 4.913 3.325 ( -3.334 6.064 2.716) 7.434 3.442 ( 3.303 4.737 4.026) 7.039 3.588 ( -2.231 5.995 -1.089) 6.488 3.618 ( 6.840 7.481 -6.400) 11.988 3.771 ( -4.612 1.690 2.019) 5.311 4.345 ( 2.416 1.728 1.857) 3.503 4.379 ( -1.254 2.121 2.030) 3.192 4.489 ( 2.971 4.442 1.199) 5.477 4.612 ( 0.165 5.456 1.540) 5.672 4.667 ( -1.091 0.263 -2.210) 2.478 4.753 ( -4.769 -1.983 -2.193) 5.611 4.846 ( -1.167 -1.467 -0.188) 1.884 4.882 ( -0.467 -2.138 -1.452) 2.626 4.922 ( 1.667 -2.751 -0.628) 3.277 4.969 ( -1.887 1.605 -0.214) 2.487 5.134 ( -0.756 1.804 1.269) 2.332 5.186 ( -1.168 -0.215 1.036) 1.576 5.316 ( 1.330 -0.074 1.437) 1.959 5.390 ( 1.338 0.198 -0.030) 1.353 5.466 ( 3.008 -2.511 2.871) 4.858 5.594 ( 0.065 -3.112 2.907) 4.259 5.659 ( 0.092 -1.066 -4.163) 4.299 5.716 ( 0.741 -3.274 -2.109) 3.965 5.804 ( -1.658 -1.049 -3.633) 4.129 5.821 ( -1.316 -1.058 -0.521) 1.767 5.957 ( -1.224 1.061 0.102) 1.623 6.011 ( -0.290 0.749 -0.933) 1.231 6.049 ( 1.554 -0.470 -2.671) 3.126 6.120 ( -2.856 -1.132 2.210) 3.785======================= Grid point 195 (105/116) =======================q-point: (-0.50 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 0.422 3.819 1.982) 4.324 1.465 ( -1.925 6.463 -0.416) 6.756 1.627 ( 1.232 0.659 1.730) 2.224 1.665 ( -1.225 -0.639 -2.171) 2.573 1.937 ( -0.326 -0.280 5.244) 5.262 1.999 ( -2.448 -2.907 4.364) 5.787 2.105 ( 1.955 -2.966 0.263) 3.562 2.178 ( -1.748 -1.673 -1.493) 2.844 2.211 ( -1.473 -6.744 0.544) 6.925 2.297 ( 1.326 -4.261 -4.408) 6.273 2.404 ( -0.284 -4.286 2.372) 4.907 2.502 ( 3.061 -4.198 -6.331) 8.189 2.514 ( -1.023 -0.558 2.246) 2.531 2.572 ( 1.951 -2.480 -2.812) 4.226 2.748 ( -1.758 1.017 2.912) 3.550 2.788 ( 1.315 0.482 -1.413) 1.989 3.050 ( -1.385 0.567 2.388) 2.818 3.094 ( 1.494 -0.713 -1.213) 2.052 3.270 ( -2.006 6.564 2.006) 7.151 3.303 ( 3.498 5.930 -1.348) 7.015 3.506 ( 0.585 1.810 2.040) 2.789 3.537 ( -1.550 8.204 1.572) 8.495 3.653 ( -6.268 3.135 1.593) 7.187 3.738 ( 5.351 4.122 -3.903) 7.801 4.369 ( -0.394 3.942 2.052) 4.461 4.380 ( 0.848 1.467 1.156) 2.051 4.547 ( 2.232 3.771 1.851) 4.757 4.605 ( -1.399 3.891 -1.071) 4.271 4.652 ( -0.065 0.460 -0.634) 0.786 4.678 ( -1.577 -1.311 -0.688) 2.163 4.822 ( -0.924 0.784 1.063) 1.612 4.878 ( 0.327 -2.596 -2.713) 3.769 4.935 ( -1.664 0.259 0.235) 1.701 4.957 ( 2.115 -2.237 -1.118) 3.275 5.124 ( -0.944 1.340 2.886) 3.319 5.186 ( 1.659 -1.273 -2.111) 2.971 5.341 ( 0.037 -0.138 2.509) 2.513 5.396 ( -0.069 0.697 -1.584) 1.732 5.532 ( 2.400 -1.063 4.584) 5.282 5.619 ( 1.377 -3.373 3.606) 5.126 5.635 ( -1.510 -0.940 -5.148) 5.446 5.704 ( -1.932 -2.550 -3.819) 4.982 5.768 ( -0.536 -1.465 0.129) 1.565 5.783 ( -0.852 -1.642 -0.989) 2.098 5.970 ( 1.737 1.616 0.510) 2.426 5.986 ( -1.522 1.026 -1.156) 2.170 6.059 ( -3.461 -0.896 1.844) 4.023 6.110 ( 3.807 -2.085 -3.165) 5.372======================= Grid point 196 (106/116) =======================q-point: (-0.38 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -4.449 6.096 0.887) 7.599 1.483 ( -0.748 8.693 1.923) 8.934 1.597 ( -1.058 3.096 3.863) 5.062 1.755 ( 3.118 -3.222 -2.240) 5.012 1.926 ( 0.095 -3.544 3.875) 5.252 1.984 ( -0.042 -5.139 7.995) 9.504 2.092 ( -2.968 -3.116 -3.867) 5.786 2.161 ( 1.305 -1.036 -0.895) 1.891 2.197 ( 0.745 -4.090 1.056) 4.290 2.347 ( 3.047 -2.632 -1.411) 4.267 2.397 ( -0.474 -2.957 -1.881) 3.536 2.504 ( -0.464 -0.421 1.695) 1.807 2.552 ( 1.480 -4.189 -2.172) 4.946 2.605 ( 2.204 -2.354 -4.234) 5.322 2.748 ( 2.643 -0.508 0.125) 2.694 2.803 ( 0.732 -0.024 -0.793) 1.080 3.016 ( -2.354 1.155 2.009) 3.303 3.091 ( -0.684 -0.661 -1.757) 1.998 3.255 ( -0.913 3.790 0.754) 3.971 3.360 ( 0.706 3.399 0.377) 3.492 3.440 ( -5.813 9.061 5.336) 12.016 3.512 ( -2.364 4.311 1.763) 5.223 3.602 ( 2.024 4.582 -3.118) 5.900 3.821 ( 3.191 2.716 -1.969) 4.630 4.357 ( -1.504 4.149 0.712) 4.471 4.390 ( 0.291 1.599 1.280) 2.069 4.521 ( -3.602 4.220 -0.967) 5.631 4.608 ( 0.791 0.849 0.321) 1.204 4.658 ( 0.556 0.697 0.431) 0.990 4.704 ( 3.855 0.734 1.046) 4.062 4.815 ( -0.303 1.604 1.497) 2.215 4.886 ( 0.803 -2.758 -1.417) 3.203 4.911 ( -0.542 -1.213 -0.235) 1.350 5.000 ( 2.701 -0.578 -1.484) 3.135 5.127 ( 1.222 0.417 1.719) 2.150 5.219 ( 1.353 0.945 -2.046) 2.628 5.326 ( -0.949 -1.741 0.422) 2.027 5.389 ( -0.840 0.821 -0.696) 1.365 5.550 ( -1.757 0.198 -0.345) 1.801 5.594 ( -1.092 -4.802 0.105) 4.925 5.626 ( -1.595 -3.107 0.827) 3.589 5.676 ( 0.074 -1.065 -1.381) 1.745 5.757 ( -0.436 -1.089 1.154) 1.645 5.816 ( 2.420 -2.290 0.055) 3.332 5.962 ( -0.046 0.855 -0.639) 1.068 5.993 ( -1.507 0.297 0.586) 1.644 6.020 ( 1.639 1.828 0.615) 2.531 6.170 ( 2.841 -2.267 -2.596) 4.467======================= Grid point 197 (107/116) =======================q-point: (-0.25 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( -1.278 9.772 5.709) 11.389 1.518 ( 4.242 7.483 -1.384) 8.712 1.558 ( -4.536 5.024 7.829) 10.349 1.733 ( -2.107 0.446 -3.983) 4.528 1.950 ( 0.202 -4.345 3.290) 5.453 2.016 ( 0.339 -3.606 4.287) 5.612 2.042 ( -0.129 -5.682 -2.539) 6.225 2.209 ( 2.932 -2.145 -1.500) 3.930 2.224 ( 1.495 -3.060 2.902) 4.474 2.375 ( -0.626 -2.280 -2.401) 3.370 2.412 ( 3.554 -4.598 -0.096) 5.812 2.493 ( -1.255 -3.682 -1.312) 4.106 2.532 ( -2.361 2.557 2.538) 4.308 2.638 ( 2.074 -0.997 -5.539) 5.998 2.807 ( 2.314 -1.048 0.040) 2.540 2.886 ( 7.904 -1.530 -1.238) 8.146 2.974 ( -1.055 0.077 0.267) 1.091 3.080 ( -0.525 -0.461 -0.751) 1.025 3.197 ( -5.567 3.971 1.700) 7.046 3.290 ( -5.822 7.231 7.639) 12.022 3.381 ( -1.403 1.077 -0.892) 1.981 3.513 ( 0.722 3.782 -0.950) 3.966 3.650 ( 3.020 5.538 -2.159) 6.667 3.834 ( -1.617 2.087 -1.350) 2.965 4.312 ( -2.773 3.165 -0.698) 4.266 4.399 ( -0.325 3.462 0.899) 3.591 4.461 ( -1.566 2.507 0.686) 3.035 4.613 ( -0.241 1.059 0.341) 1.139 4.678 ( 1.537 0.661 0.902) 1.901 4.778 ( 2.181 0.593 0.183) 2.268 4.827 ( 1.470 1.248 3.173) 3.713 4.898 ( 1.277 1.308 -1.099) 2.133 4.917 ( 0.900 -3.571 -0.009) 3.683 5.051 ( 2.869 0.934 -3.545) 4.655 5.179 ( 3.256 1.407 0.725) 3.620 5.215 ( -0.804 1.578 -0.133) 1.776 5.322 ( 0.070 -1.830 -1.807) 2.573 5.372 ( 0.089 -1.147 -0.606) 1.300 5.495 ( -2.284 -1.399 -5.330) 5.965 5.565 ( -2.783 -4.138 3.086) 5.865 5.601 ( -2.113 -5.304 4.207) 7.092 5.674 ( 0.418 -0.609 -2.160) 2.283 5.732 ( -2.540 -1.160 0.997) 2.965 5.825 ( -1.382 -1.611 -0.862) 2.290 5.994 ( 2.046 1.083 0.631) 2.400 6.004 ( 3.769 0.447 1.369) 4.035 6.065 ( 2.384 2.531 -0.155) 3.481 6.205 ( 1.331 -1.728 -1.920) 2.906======================= Grid point 198 (108/116) =======================q-point: (-0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 2.386 10.936 9.396) 14.614 1.473 ( -4.967 6.672 11.358) 14.078 1.610 ( 4.122 5.231 -6.601) 9.377 1.690 ( -0.620 2.624 -8.020) 8.461 1.968 ( 1.515 -1.535 3.432) 4.053 2.021 ( -0.205 -4.096 1.431) 4.343 2.057 ( 1.629 -7.513 1.097) 7.766 2.221 ( -1.035 -5.178 -0.580) 5.313 2.272 ( 2.154 -1.188 2.248) 3.332 2.366 ( -0.058 -2.508 -0.970) 2.690 2.436 ( -3.622 -1.433 1.698) 4.249 2.465 ( 1.223 -5.001 -1.454) 5.350 2.518 ( 0.584 4.093 1.070) 4.271 2.656 ( 0.832 -0.684 -6.428) 6.518 2.840 ( 0.784 3.912 2.610) 4.767 2.957 ( 1.377 1.859 0.275) 2.330 3.032 ( -3.203 2.891 3.105) 5.316 3.086 ( 7.516 -0.634 -1.470) 7.684 3.100 ( -3.070 -0.444 -0.737) 3.188 3.260 ( 2.502 2.622 5.080) 6.240 3.340 ( -2.834 -1.673 -2.317) 4.025 3.499 ( -2.560 0.578 -0.219) 2.633 3.684 ( -0.631 3.568 2.278) 4.280 3.776 ( -2.137 2.095 -4.104) 5.079 4.272 ( -0.693 3.336 -0.847) 3.511 4.358 ( -3.080 5.910 -1.329) 6.796 4.478 ( 1.562 0.617 4.015) 4.352 4.602 ( -0.741 -0.041 -1.176) 1.391 4.720 ( 2.403 -0.301 2.570) 3.531 4.803 ( 0.661 1.908 2.300) 3.060 4.842 ( -0.282 0.625 0.601) 0.911 4.910 ( -0.294 -1.004 -1.955) 2.217 4.968 ( 3.816 2.727 0.151) 4.692 5.076 ( 0.152 0.965 -4.525) 4.629 5.199 ( 0.348 2.948 2.640) 3.972 5.237 ( 1.196 2.493 -2.251) 3.565 5.328 ( 0.911 -2.319 -0.197) 2.500 5.381 ( 0.597 -2.274 -1.481) 2.778 5.463 ( -0.343 -3.847 -3.615) 5.290 5.507 ( -2.489 -2.582 1.770) 3.999 5.559 ( -2.522 -6.160 3.650) 7.592 5.666 ( -1.956 -5.344 -2.868) 6.372 5.703 ( 0.956 1.091 0.537) 1.547 5.787 ( -1.977 -0.952 -1.130) 2.468 6.046 ( 2.521 1.917 0.874) 3.285 6.076 ( 2.564 0.836 1.223) 2.961 6.108 ( 2.343 2.121 0.328) 3.178 6.211 ( -0.406 -0.826 -1.230) 1.536======================= Grid point 199 (109/116) =======================q-point: ( 0.00 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 0.081 8.004 6.305) 10.189 1.609 ( 1.059 9.138 4.519) 10.249 1.692 ( 0.224 -0.354 -2.792) 2.823 1.722 ( 0.451 -0.237 -4.250) 4.280 1.937 ( 0.951 -3.015 1.853) 3.665 1.953 ( 1.322 -4.991 0.644) 5.204 2.009 ( 1.850 -0.172 0.955) 2.089 2.057 ( -1.623 -5.343 -2.406) 6.080 2.262 ( -2.506 0.617 1.650) 3.063 2.310 ( 0.097 -3.731 -2.806) 4.669 2.426 ( 1.298 1.542 1.710) 2.643 2.452 ( 2.571 -1.140 -0.275) 2.826 2.571 ( -1.364 2.364 -1.738) 3.236 2.608 ( -1.731 -1.569 -4.567) 5.130 2.966 ( -1.973 0.653 0.868) 2.252 2.983 ( 0.340 -0.667 -0.909) 1.177 3.019 ( -3.767 3.124 2.807) 5.642 3.051 ( -1.306 -0.612 -0.591) 1.559 3.224 ( 0.484 4.116 2.957) 5.091 3.279 ( 3.777 0.793 -1.622) 4.187 3.367 ( -1.253 -1.580 2.208) 2.990 3.381 ( 3.470 -1.798 0.891) 4.008 3.699 ( -2.634 3.410 5.399) 6.907 3.758 ( 0.212 -2.547 0.144) 2.560 4.385 ( 0.803 5.109 0.602) 5.206 4.411 ( -0.836 5.184 -1.517) 5.465 4.496 ( -0.301 -2.298 1.292) 2.653 4.533 ( -0.079 -3.943 -1.578) 4.247 4.753 ( 0.562 0.594 5.054) 5.120 4.787 ( -1.229 -1.944 1.938) 3.008 4.879 ( 1.114 1.269 -0.582) 1.786 4.895 ( -0.107 -0.127 -1.992) 1.999 5.087 ( -2.081 3.433 -1.869) 4.428 5.114 ( 2.294 2.273 -4.473) 5.517 5.254 ( -1.915 0.894 3.952) 4.482 5.282 ( -1.891 3.270 0.752) 3.851 5.296 ( 0.417 -1.693 3.784) 4.166 5.364 ( -1.498 -1.652 0.626) 2.317 5.366 ( -0.971 -0.822 -2.566) 2.864 5.384 ( 1.192 -6.126 1.547) 6.430 5.507 ( 2.717 -0.304 -5.414) 6.065 5.540 ( 1.549 -3.740 -6.267) 7.460 5.738 ( 1.100 0.150 -0.509) 1.221 5.744 ( -0.059 -0.451 -1.100) 1.190 6.115 ( 0.694 1.152 1.010) 1.682 6.122 ( 0.411 0.486 0.444) 0.776 6.166 ( 0.054 0.787 0.868) 1.173 6.180 ( -1.374 -0.456 -0.277) 1.474======================= Grid point 200 (110/116) =======================q-point: ( 0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -2.154 8.332 4.462) 9.694 1.637 ( 1.385 8.250 1.154) 8.444 1.678 ( 0.075 2.575 -1.605) 3.035 1.728 ( 0.422 -3.637 -4.283) 5.634 1.943 ( -0.344 -1.637 0.269) 1.694 1.959 ( 0.271 -4.867 -1.920) 5.239 2.036 ( 1.281 -0.930 -2.535) 2.989 2.078 ( 2.698 -4.294 1.351) 5.248 2.205 ( -3.446 2.162 2.914) 5.005 2.304 ( -0.438 -6.759 -0.382) 6.784 2.420 ( -2.127 3.721 -0.959) 4.392 2.481 ( 0.572 -1.697 -3.305) 3.759 2.556 ( -0.352 0.504 1.617) 1.730 2.568 ( -1.577 -0.761 -1.691) 2.435 2.872 ( -6.192 1.945 1.560) 6.675 2.934 ( -6.611 -3.482 2.676) 7.936 2.961 ( -1.890 0.478 1.753) 2.621 2.984 ( -2.397 -1.656 1.405) 3.235 3.261 ( 2.275 2.398 1.865) 3.795 3.293 ( 0.310 -0.877 -1.266) 1.570 3.457 ( 9.147 6.377 -2.245) 11.375 3.530 ( 7.265 -0.325 -0.965) 7.336 3.683 ( -0.298 4.906 6.922) 8.489 3.780 ( 1.335 -4.342 1.789) 4.882 4.343 ( -2.016 4.863 -0.339) 5.275 4.429 ( -1.779 -2.456 0.422) 3.062 4.484 ( 2.668 5.347 0.021) 5.976 4.584 ( 3.502 -3.370 0.041) 4.860 4.756 ( -1.918 -0.315 1.021) 2.196 4.761 ( -0.646 -1.727 4.548) 4.907 4.863 ( -2.028 1.342 -1.961) 3.124 4.887 ( -0.947 -0.873 -1.268) 1.807 5.029 ( -3.788 4.204 -0.436) 5.676 5.103 ( -2.908 -1.687 -3.667) 4.975 5.228 ( -0.152 2.639 2.782) 3.837 5.260 ( -0.905 3.098 2.651) 4.177 5.282 ( -2.052 -2.469 0.515) 3.251 5.327 ( -1.120 -2.102 -0.180) 2.389 5.363 ( 1.212 1.360 1.190) 2.176 5.442 ( 2.762 -6.308 2.618) 7.367 5.563 ( 3.826 -0.283 -5.413) 6.635 5.588 ( 4.054 -2.904 -6.742) 8.385 5.752 ( 1.524 0.960 -2.027) 2.712 5.772 ( 2.234 -0.903 -1.407) 2.790 6.092 ( -2.778 1.148 -0.415) 3.035 6.106 ( -2.484 -0.204 -0.687) 2.585 6.139 ( -2.123 1.574 1.036) 2.838 6.163 ( -1.014 -0.850 1.765) 2.206======================= Grid point 201 (111/116) =======================q-point: ( 0.25 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( -4.169 9.429 1.779) 10.462 1.654 ( -3.084 -2.418 -0.552) 3.957 1.681 ( 2.061 5.029 -0.399) 5.449 1.727 ( 0.545 -1.981 -2.962) 3.605 1.941 ( 0.222 1.713 0.978) 1.985 1.979 ( 2.533 -2.408 -5.424) 6.453 2.055 ( 0.755 -0.159 -2.593) 2.705 2.104 ( -1.181 -3.557 2.690) 4.613 2.159 ( -1.362 0.749 3.492) 3.822 2.286 ( -1.702 -9.329 -0.439) 9.493 2.364 ( -2.582 4.984 -0.744) 5.662 2.466 ( -0.969 -4.485 -4.500) 6.427 2.528 ( -1.917 0.951 0.838) 2.299 2.549 ( -1.520 -1.129 3.180) 3.701 2.785 ( -2.599 1.807 1.408) 3.464 2.827 ( -3.309 -1.853 0.775) 3.871 2.963 ( 1.693 -0.618 1.305) 2.225 2.976 ( 0.873 -2.203 2.030) 3.120 3.296 ( 1.515 2.156 0.207) 2.643 3.323 ( 2.180 -0.703 0.372) 2.321 3.603 ( 3.494 7.620 1.084) 8.453 3.628 ( 5.161 5.478 -2.870) 8.055 3.702 ( 0.556 2.710 2.936) 4.034 3.793 ( -1.002 -4.513 3.909) 6.054 4.334 ( 1.058 2.895 1.250) 3.327 4.393 ( -1.134 -2.664 0.724) 2.985 4.551 ( 3.403 7.055 0.334) 7.840 4.644 ( 2.365 -1.243 0.293) 2.688 4.721 ( -1.884 0.664 -0.154) 2.004 4.760 ( -0.018 -4.000 1.634) 4.321 4.818 ( -1.900 -0.110 -0.976) 2.139 4.843 ( -3.203 -2.133 0.777) 3.926 4.949 ( -3.755 3.563 -1.063) 5.284 5.024 ( -3.539 -2.707 -3.535) 5.687 5.217 ( -2.900 2.536 -0.804) 3.935 5.228 ( -1.664 0.674 1.642) 2.432 5.292 ( 2.327 1.204 2.450) 3.587 5.334 ( 2.149 -1.908 1.685) 3.331 5.399 ( 1.763 2.000 2.249) 3.488 5.486 ( 1.157 -6.053 3.073) 6.886 5.620 ( 2.938 -0.060 -4.713) 5.554 5.644 ( 2.743 -2.339 -5.890) 6.905 5.787 ( 2.082 0.953 -2.786) 3.606 5.809 ( 1.632 -1.077 -1.593) 2.522 6.025 ( -3.577 0.783 -0.647) 3.718 6.037 ( -3.470 -0.420 -1.316) 3.734 6.102 ( -2.133 2.033 0.817) 3.057 6.137 ( -2.088 -1.467 1.690) 3.061======================= Grid point 202 (112/116) =======================q-point: ( 0.38 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.268 6.941 1.577) 7.123 1.589 ( -3.260 -4.641 1.930) 5.991 1.677 ( -2.207 4.663 -2.341) 5.666 1.718 ( -1.215 -1.250 -3.150) 3.600 1.948 ( -0.421 3.529 2.894) 4.583 2.011 ( -0.118 -1.802 -3.700) 4.118 2.041 ( -0.904 0.014 1.873) 2.079 2.084 ( 0.135 -4.077 -0.241) 4.086 2.158 ( 0.334 -1.009 1.172) 1.583 2.233 ( -2.606 -7.235 -2.519) 8.092 2.345 ( 0.482 3.420 0.821) 3.550 2.435 ( -0.966 -4.722 -3.384) 5.889 2.514 ( 0.127 0.556 0.292) 0.640 2.531 ( -0.415 -0.946 1.475) 1.800 2.776 ( 0.800 2.112 0.823) 2.404 2.802 ( -0.350 -0.148 0.486) 0.617 3.015 ( 2.626 -1.228 1.370) 3.206 3.018 ( 2.937 -1.356 1.593) 3.606 3.331 ( 2.170 2.483 -0.261) 3.308 3.359 ( 1.266 -0.484 0.017) 1.355 3.604 ( -2.119 8.985 5.640) 10.818 3.685 ( -0.742 2.871 -3.706) 4.747 3.723 ( 3.013 2.462 -3.065) 4.953 3.757 ( -3.520 -3.089 5.613) 7.310 4.376 ( 2.237 1.715 2.533) 3.790 4.401 ( 1.720 -0.245 1.426) 2.248 4.600 ( 1.260 5.765 0.844) 5.961 4.667 ( -0.091 -0.149 0.123) 0.213 4.685 ( -1.353 1.507 -1.040) 2.276 4.738 ( -2.655 1.078 -0.634) 2.935 4.788 ( -0.936 -4.170 -0.462) 4.299 4.812 ( -0.189 -4.416 -0.032) 4.420 4.907 ( -0.049 2.554 -0.047) 2.555 4.970 ( -1.507 -2.374 -2.041) 3.474 5.164 ( -1.941 1.403 -0.993) 2.592 5.183 ( -2.804 -0.435 0.890) 2.974 5.352 ( 2.985 3.489 2.366) 5.165 5.400 ( 3.389 0.001 1.664) 3.775 5.433 ( 1.452 -0.041 3.207) 3.521 5.503 ( 0.186 -5.465 3.223) 6.348 5.650 ( 1.111 0.082 -4.478) 4.615 5.666 ( 0.928 -1.656 -4.893) 5.248 5.791 ( -1.473 0.178 -2.582) 2.978 5.805 ( -1.999 -0.951 -1.699) 2.791 5.981 ( -0.168 1.341 -0.352) 1.397 6.007 ( 0.872 -1.099 -1.183) 1.835 6.062 ( -1.995 1.525 -0.112) 2.514 6.093 ( -2.619 -1.565 1.040) 3.223======================= Grid point 203 (113/116) =======================q-point: (-0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 0.129 3.080 2.570) 4.013 1.549 ( 2.360 0.028 -1.058) 2.587 1.636 ( -0.956 2.217 0.599) 2.487 1.667 ( -3.023 -0.180 -1.872) 3.560 1.930 ( -2.120 0.143 5.243) 5.657 1.949 ( -4.413 -1.638 6.411) 7.953 2.060 ( 0.841 -1.499 -1.344) 2.182 2.085 ( 0.422 -4.547 -0.992) 4.673 2.170 ( 0.693 0.967 -1.524) 1.933 2.225 ( 2.724 -3.865 -5.775) 7.464 2.366 ( 1.062 1.058 0.491) 1.577 2.413 ( -0.809 -3.365 -3.917) 5.227 2.529 ( 1.576 0.550 -0.017) 1.669 2.542 ( 1.448 -0.975 -1.256) 2.151 2.785 ( -0.684 2.088 1.610) 2.724 2.803 ( 0.529 0.427 -0.304) 0.745 3.050 ( 0.249 -0.028 1.234) 1.260 3.066 ( 1.151 -1.618 0.045) 1.986 3.354 ( -1.636 2.203 0.550) 2.799 3.369 ( 1.144 0.829 -0.985) 1.723 3.580 ( -1.231 5.548 5.324) 7.787 3.659 ( -0.930 0.501 -0.404) 1.132 3.698 ( -2.478 3.995 3.022) 5.588 3.773 ( 3.029 -1.224 -2.411) 4.060 4.415 ( 0.840 2.242 2.197) 3.249 4.434 ( 0.691 1.440 0.462) 1.663 4.605 ( -0.412 2.023 2.714) 3.410 4.644 ( -1.145 -1.858 -0.531) 2.246 4.681 ( -2.037 4.179 0.056) 4.650 4.698 ( 1.524 4.733 -1.284) 5.136 4.781 ( 0.181 -5.242 -0.127) 5.246 4.804 ( -0.154 -4.950 -1.936) 5.317 4.932 ( 1.127 0.709 0.965) 1.645 4.945 ( -0.677 0.029 -1.232) 1.406 5.139 ( -0.950 0.650 0.303) 1.190 5.161 ( 1.704 -1.408 -1.342) 2.586 5.387 ( -0.942 4.740 3.382) 5.898 5.431 ( 0.990 2.802 0.043) 2.972 5.493 ( 2.788 -3.232 3.612) 5.591 5.505 ( -1.184 -6.240 2.195) 6.719 5.649 ( -0.051 0.757 -4.263) 4.330 5.664 ( -0.271 -1.123 -4.651) 4.792 5.750 ( -1.177 -0.306 -0.434) 1.291 5.758 ( -1.376 -0.950 -0.962) 1.929 6.002 ( 0.208 1.473 0.194) 1.500 6.012 ( -0.263 1.188 -0.678) 1.393 6.041 ( -1.697 -0.506 0.633) 1.880 6.066 ( 2.424 -2.232 -1.766) 3.739======================= Grid point 204 (114/116) =======================q-point: (-0.38 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( -1.082 7.297 0.821) 7.423 1.598 ( -1.733 -1.497 1.756) 2.886 1.656 ( 0.934 1.981 2.134) 3.058 1.670 ( 6.567 -1.045 -1.817) 6.894 1.877 ( -3.690 -0.599 7.362) 8.257 1.904 ( -2.361 -3.112 6.644) 7.707 2.059 ( -0.035 0.360 -1.957) 1.990 2.113 ( 2.001 -4.281 0.540) 4.756 2.185 ( 1.513 3.396 -3.286) 4.962 2.274 ( 2.980 -4.585 -4.851) 7.310 2.373 ( -0.667 -0.692 -1.177) 1.520 2.390 ( -0.589 -4.196 -1.349) 4.446 2.566 ( 2.388 1.300 -2.772) 3.882 2.584 ( 3.187 -0.646 -2.833) 4.313 2.777 ( 0.274 2.497 0.419) 2.547 2.807 ( 0.181 -0.184 -0.257) 0.365 3.026 ( -2.562 0.432 0.058) 2.598 3.054 ( -1.659 -2.435 -1.491) 3.302 3.316 ( -2.289 2.646 1.052) 3.653 3.360 ( -1.684 -1.739 0.054) 2.422 3.576 ( -0.848 4.686 5.030) 6.927 3.612 ( -3.926 2.141 5.548) 7.126 3.719 ( 3.001 7.320 -1.284) 8.015 3.827 ( 2.338 -2.576 -1.154) 3.665 4.406 ( -1.371 0.895 -0.053) 1.638 4.416 ( -2.422 0.580 -0.488) 2.538 4.613 ( -0.357 1.258 2.446) 2.774 4.632 ( -0.769 6.772 0.772) 6.859 4.645 ( 0.009 -1.365 2.137) 2.535 4.751 ( 3.114 2.656 -1.567) 4.382 4.782 ( -0.092 -5.558 0.445) 5.576 4.819 ( 2.239 -3.591 -1.455) 4.475 4.914 ( -0.431 2.324 -0.913) 2.534 4.968 ( 1.883 -2.639 -1.638) 3.633 5.157 ( 2.673 2.990 -0.229) 4.017 5.216 ( 3.711 -2.198 -1.897) 4.712 5.347 ( -3.082 4.238 2.334) 5.737 5.437 ( -1.463 3.443 -0.730) 3.811 5.460 ( -2.837 -6.294 2.442) 7.323 5.520 ( -0.744 -4.068 2.484) 4.825 5.616 ( -2.019 1.393 -3.659) 4.405 5.650 ( -0.670 -1.804 -4.172) 4.594 5.750 ( 0.760 0.685 1.495) 1.811 5.777 ( 2.055 -1.767 0.750) 2.813 5.979 ( -0.434 0.762 -0.169) 0.893 5.990 ( -1.155 -0.417 0.315) 1.267 6.066 ( 2.756 2.689 -0.431) 3.875 6.120 ( 2.922 -2.731 -1.452) 4.254======================= Grid point 205 (115/116) =======================q-point: (-0.25 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 1.355 9.257 4.005) 10.177 1.604 ( 1.308 -1.105 3.321) 3.736 1.664 ( -0.944 5.783 1.682) 6.096 1.736 ( 0.823 -0.694 -2.717) 2.922 1.859 ( 0.084 -3.153 5.083) 5.982 1.890 ( 0.376 -5.909 5.842) 8.318 2.045 ( -1.187 3.426 -2.126) 4.203 2.136 ( -0.257 -5.099 -0.847) 5.175 2.223 ( 2.918 3.381 -1.824) 4.824 2.319 ( 2.794 -3.460 -2.410) 5.059 2.352 ( -0.803 -2.105 -2.333) 3.244 2.381 ( -0.295 -4.470 2.054) 4.928 2.605 ( 1.737 2.827 -3.035) 4.496 2.632 ( 2.075 -0.234 -4.080) 4.583 2.810 ( 3.145 1.692 -1.116) 3.742 2.853 ( 6.224 -1.933 -2.281) 6.905 2.978 ( -1.593 0.801 -0.279) 1.805 3.023 ( -0.802 -3.648 -2.047) 4.259 3.268 ( -3.055 3.239 2.137) 4.939 3.321 ( -2.439 -2.053 1.088) 3.369 3.507 ( -6.775 7.652 6.601) 12.167 3.572 ( -2.738 0.885 3.876) 4.828 3.759 ( 0.769 5.089 -0.037) 5.146 3.835 ( -1.542 -2.186 -0.190) 2.682 4.359 ( -2.172 1.785 -1.048) 3.000 4.398 ( 0.515 -2.047 0.251) 2.125 4.568 ( -3.142 6.093 -1.256) 6.970 4.631 ( -1.413 0.128 1.913) 2.382 4.671 ( 1.779 1.166 3.947) 4.484 4.774 ( 0.551 -6.241 0.699) 6.305 4.812 ( 2.206 2.240 -0.631) 3.207 4.856 ( 1.547 -1.940 0.075) 2.483 4.956 ( 4.874 3.450 -2.416) 6.442 5.025 ( 4.925 -3.350 -4.566) 7.504 5.220 ( 3.311 3.342 -0.708) 4.757 5.267 ( 0.901 0.786 -1.076) 1.609 5.302 ( -1.064 1.621 0.897) 2.137 5.380 ( -2.145 -1.109 -2.287) 3.326 5.420 ( -2.900 -1.602 3.716) 4.979 5.487 ( -2.785 -4.623 2.242) 5.844 5.567 ( -2.706 1.306 -2.018) 3.620 5.616 ( -1.886 -3.530 -4.216) 5.813 5.750 ( -1.227 1.929 1.075) 2.526 5.790 ( -1.010 -2.030 0.346) 2.294 6.009 ( 3.036 0.417 0.752) 3.156 6.011 ( 3.252 0.184 1.023) 3.414 6.117 ( 2.446 2.660 -0.510) 3.649 6.166 ( 2.022 -2.302 -1.119) 3.262======================= Grid point 206 (116/116) =======================q-point: (-0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 2.224 9.712 6.582) 11.941 1.608 ( -1.927 5.908 6.304) 8.852 1.669 ( 1.989 0.386 -2.525) 3.238 1.732 ( -0.247 -0.028 -3.318) 3.327 1.889 ( 2.307 -4.271 5.007) 6.974 1.921 ( 1.312 -5.430 1.651) 5.825 2.013 ( -1.395 2.878 -1.033) 3.361 2.103 ( -2.383 -5.980 -1.238) 6.555 2.269 ( 1.727 1.545 -1.478) 2.748 2.326 ( -1.244 -2.987 -2.255) 3.944 2.379 ( 3.307 -1.100 0.311) 3.500 2.401 ( 1.833 -2.326 2.020) 3.584 2.603 ( -1.100 3.286 -2.349) 4.186 2.640 ( -0.313 -1.003 -4.771) 4.885 2.903 ( 6.121 3.464 -1.798) 7.260 2.974 ( 1.614 -0.783 -0.529) 1.870 3.008 ( 7.116 -3.037 -3.842) 8.639 3.020 ( 1.373 -1.888 -1.563) 2.809 3.214 ( -2.605 5.008 5.185) 7.665 3.274 ( -2.226 -1.578 1.576) 3.151 3.383 ( -6.213 6.555 4.678) 10.171 3.489 ( -6.440 -2.738 2.966) 7.601 3.745 ( -2.303 2.540 2.621) 4.316 3.784 ( -2.810 -1.200 -0.124) 3.058 4.347 ( 1.176 4.344 -0.519) 4.530 4.425 ( 1.538 -2.340 0.825) 2.919 4.502 ( -2.770 4.848 -1.790) 5.863 4.585 ( -3.165 -2.483 -0.070) 4.024 4.718 ( 1.881 1.766 4.657) 5.324 4.790 ( 0.441 -4.489 1.823) 4.865 4.848 ( 1.867 2.170 -0.444) 2.897 4.885 ( 1.317 -1.389 -0.319) 1.941 5.050 ( 4.889 4.313 -3.421) 7.362 5.102 ( 2.460 -0.009 -5.400) 5.934 5.248 ( 0.596 1.387 2.362) 2.804 5.277 ( 0.261 -1.624 0.165) 1.653 5.304 ( 1.202 3.957 -0.849) 4.222 5.363 ( -2.085 0.547 1.716) 2.755 5.376 ( -0.021 -3.619 -0.394) 3.640 5.432 ( -3.205 -5.303 1.493) 6.374 5.508 ( -2.145 0.998 -2.818) 3.679 5.564 ( -2.233 -4.554 -4.670) 6.895 5.730 ( -0.462 1.582 0.263) 1.669 5.762 ( -1.432 -1.547 -0.265) 2.125 6.074 ( 3.032 0.958 1.136) 3.377 6.083 ( 3.220 -0.033 1.429) 3.523 6.153 ( 1.323 2.195 -0.296) 2.580 6.189 ( 0.517 -1.484 -0.718) 1.728=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/18816 10.0 415.251 457.734 323.063 0.000 41.278 0.000 3/18816 20.0 64.310 97.115 60.203 0.000 3.329 0.000 3/18816 30.0 25.292 41.796 25.384 0.000 0.611 0.000 3/18816 40.0 14.314 24.088 14.762 0.000 0.210 0.000 3/18816 50.0 9.619 16.208 10.063 0.000 0.095 0.000 3/18816 60.0 7.151 12.027 7.553 0.000 0.048 0.000 3/18816 70.0 5.671 9.520 6.034 0.000 0.024 0.000 3/18816 80.0 4.699 7.878 5.028 0.000 0.011 0.000 3/18816 90.0 4.016 6.726 4.317 0.000 0.003 0.000 3/18816 100.0 3.512 5.877 3.788 0.000 -0.002 0.000 3/18816 110.0 3.123 5.224 3.379 0.000 -0.005 0.000 3/18816 120.0 2.815 4.707 3.053 0.000 -0.007 0.000 3/18816 130.0 2.564 4.287 2.787 0.000 -0.009 0.000 3/18816 140.0 2.356 3.939 2.565 0.000 -0.009 0.000 3/18816 150.0 2.181 3.645 2.377 0.000 -0.010 0.000 3/18816 160.0 2.030 3.393 2.216 0.000 -0.010 0.000 3/18816 170.0 1.900 3.175 2.076 0.000 -0.010 0.000 3/18816 180.0 1.786 2.984 1.953 0.000 -0.010 0.000 3/18816 190.0 1.685 2.816 1.844 0.000 -0.010 0.000 3/18816 200.0 1.595 2.666 1.747 0.000 -0.010 0.000 3/18816 210.0 1.515 2.532 1.660 0.000 -0.010 0.000 3/18816 220.0 1.442 2.411 1.582 0.000 -0.010 0.000 3/18816 230.0 1.377 2.301 1.510 0.000 -0.010 0.000 3/18816 240.0 1.317 2.201 1.445 0.000 -0.010 0.000 3/18816 250.0 1.262 2.109 1.386 0.000 -0.009 0.000 3/18816 260.0 1.212 2.025 1.331 0.000 -0.009 0.000 3/18816 270.0 1.166 1.948 1.280 0.000 -0.009 0.000 3/18816 280.0 1.123 1.876 1.234 0.000 -0.009 0.000 3/18816 290.0 1.083 1.810 1.190 0.000 -0.009 0.000 3/18816 300.0 1.046 1.748 1.150 0.000 -0.008 0.000 3/18816 310.0 1.011 1.690 1.112 0.000 -0.008 0.000 3/18816 320.0 0.979 1.636 1.077 0.000 -0.008 0.000 3/18816 330.0 0.949 1.585 1.044 0.000 -0.008 0.000 3/18816 340.0 0.920 1.538 1.012 0.000 -0.008 0.000 3/18816 350.0 0.893 1.493 0.983 0.000 -0.008 0.000 3/18816 360.0 0.868 1.451 0.956 0.000 -0.007 0.000 3/18816 370.0 0.844 1.411 0.929 0.000 -0.007 0.000 3/18816 380.0 0.822 1.374 0.905 0.000 -0.007 0.000 3/18816 390.0 0.800 1.338 0.881 0.000 -0.007 0.000 3/18816 400.0 0.780 1.304 0.859 0.000 -0.007 0.000 3/18816 410.0 0.761 1.272 0.838 0.000 -0.007 0.000 3/18816 420.0 0.743 1.241 0.818 0.000 -0.007 0.000 3/18816 430.0 0.725 1.212 0.799 0.000 -0.006 0.000 3/18816 440.0 0.709 1.184 0.780 0.000 -0.006 0.000 3/18816 450.0 0.693 1.158 0.763 0.000 -0.006 0.000 3/18816 460.0 0.677 1.132 0.746 0.000 -0.006 0.000 3/18816 470.0 0.663 1.108 0.730 0.000 -0.006 0.000 3/18816 480.0 0.649 1.085 0.715 0.000 -0.006 0.000 3/18816 490.0 0.636 1.063 0.700 0.000 -0.006 0.000 3/18816 500.0 0.623 1.041 0.686 0.000 -0.006 0.000 3/18816 510.0 0.611 1.021 0.673 0.000 -0.006 0.000 3/18816 520.0 0.599 1.001 0.660 0.000 -0.006 0.000 3/18816 530.0 0.587 0.982 0.647 0.000 -0.005 0.000 3/18816 540.0 0.576 0.964 0.635 0.000 -0.005 0.000 3/18816 550.0 0.566 0.946 0.624 0.000 -0.005 0.000 3/18816 560.0 0.556 0.929 0.613 0.000 -0.005 0.000 3/18816 570.0 0.546 0.913 0.602 0.000 -0.005 0.000 3/18816 580.0 0.536 0.897 0.591 0.000 -0.005 0.000 3/18816 590.0 0.527 0.882 0.581 0.000 -0.005 0.000 3/18816 600.0 0.518 0.867 0.572 0.000 -0.005 0.000 3/18816 610.0 0.510 0.853 0.562 0.000 -0.005 0.000 3/18816 620.0 0.502 0.839 0.553 0.000 -0.005 0.000 3/18816 630.0 0.494 0.825 0.544 0.000 -0.005 0.000 3/18816 640.0 0.486 0.812 0.536 0.000 -0.005 0.000 3/18816 650.0 0.478 0.800 0.528 0.000 -0.005 0.000 3/18816 660.0 0.471 0.788 0.520 0.000 -0.004 0.000 3/18816 670.0 0.464 0.776 0.512 0.000 -0.004 0.000 3/18816 680.0 0.457 0.765 0.504 0.000 -0.004 0.000 3/18816 690.0 0.451 0.753 0.497 0.000 -0.004 0.000 3/18816 700.0 0.444 0.743 0.490 0.000 -0.004 0.000 3/18816 710.0 0.438 0.732 0.483 0.000 -0.004 0.000 3/18816 720.0 0.432 0.722 0.476 0.000 -0.004 0.000 3/18816 730.0 0.426 0.712 0.470 0.000 -0.004 0.000 3/18816 740.0 0.420 0.702 0.463 0.000 -0.004 0.000 3/18816 750.0 0.415 0.693 0.457 0.000 -0.004 0.000 3/18816 760.0 0.409 0.684 0.451 0.000 -0.004 0.000 3/18816 770.0 0.404 0.675 0.445 0.000 -0.004 0.000 3/18816 780.0 0.399 0.666 0.440 0.000 -0.004 0.000 3/18816 790.0 0.393 0.658 0.434 0.000 -0.004 0.000 3/18816 800.0 0.389 0.650 0.429 0.000 -0.004 0.000 3/18816 810.0 0.384 0.642 0.423 0.000 -0.004 0.000 3/18816 820.0 0.379 0.634 0.418 0.000 -0.004 0.000 3/18816 830.0 0.374 0.626 0.413 0.000 -0.004 0.000 3/18816 840.0 0.370 0.619 0.408 0.000 -0.004 0.000 3/18816 850.0 0.366 0.611 0.403 0.000 -0.004 0.000 3/18816 860.0 0.361 0.604 0.399 0.000 -0.004 0.000 3/18816 870.0 0.357 0.597 0.394 0.000 -0.003 0.000 3/18816 880.0 0.353 0.591 0.390 0.000 -0.003 0.000 3/18816 890.0 0.349 0.584 0.385 0.000 -0.003 0.000 3/18816 900.0 0.345 0.577 0.381 0.000 -0.003 0.000 3/18816 910.0 0.342 0.571 0.377 0.000 -0.003 0.000 3/18816 920.0 0.338 0.565 0.373 0.000 -0.003 0.000 3/18816 930.0 0.334 0.559 0.369 0.000 -0.003 0.000 3/18816 940.0 0.331 0.553 0.365 0.000 -0.003 0.000 3/18816 950.0 0.327 0.547 0.361 0.000 -0.003 0.000 3/18816 960.0 0.324 0.541 0.357 0.000 -0.003 0.000 3/18816 970.0 0.320 0.536 0.353 0.000 -0.003 0.000 3/18816 980.0 0.317 0.530 0.350 0.000 -0.003 0.000 3/18816 990.0 0.314 0.525 0.346 0.000 -0.003 0.000 3/18816 1000.0 0.311 0.520 0.343 0.000 -0.003 0.000 3/18816Thermal conductivity related properties were written into "kappa-m877.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:00:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|