----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:41:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.907475659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220585099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.826492620000000 Atomic positions (fractional): *1 H 0.50000000000000 0.29972632914795 0.61277536099357 1.008 2 H 0.50000000000000 0.70027367085204 0.11277536099357 1.008 *3 H 0.50000000000000 0.98572204714695 0.58202812432352 1.008 4 H 0.50000000000000 0.01427795285305 0.08202812432352 1.008 *5 H 0.20545932798039 0.12292241385123 0.80844686800195 1.008 6 H 0.79454067201961 0.87707758614877 0.30844686800195 1.008 7 H 0.20545932798039 0.87707758614877 0.30844686800195 1.008 8 H 0.79454067201961 0.12292241385123 0.80844686800195 1.008 *9 O 0.00000000000000 0.20472021223132 0.86583592002339 15.999 *10 O 0.50000000000000 0.56609562829765 0.03666828551423 15.999 *11 O 0.50000000000000 0.97675235841034 0.72531888487028 15.999 12 O 0.50000000000000 0.02324764158966 0.22531888487028 15.999 13 O 0.00000000000000 0.79527978776868 0.36583592002339 15.999 14 O 0.50000000000000 0.43390437170235 0.53666828551423 15.999 *15 Ba 0.00000000000000 0.64484068227996 0.75237971827110 137.327 16 Ba 0.00000000000000 0.35515931772004 0.25237971827111 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.907475659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220585099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.826492620000000 Atomic positions (fractional): *1 H 0.50000000000000 0.29972632914795 0.61277536099357 1.008 > 1 2 H 0.50000000000000 0.70027367085204 0.11277536099357 1.008 > 2 *3 H 0.50000000000000 0.98572204714695 0.58202812432352 1.008 > 3 4 H 0.50000000000000 0.01427795285305 0.08202812432352 1.008 > 4 *5 H 0.20545932798039 0.12292241385123 0.80844686800195 1.008 > 5 6 H 0.79454067201961 0.87707758614877 0.30844686800195 1.008 > 6 7 H 0.20545932798039 0.87707758614877 0.30844686800195 1.008 > 7 8 H 0.79454067201961 0.12292241385123 0.80844686800195 1.008 > 8 *9 O 0.00000000000000 0.20472021223132 0.86583592002339 15.999 > 9 *10 O 0.50000000000000 0.56609562829765 0.03666828551423 15.999 > 10 *11 O 0.50000000000000 0.97675235841034 0.72531888487028 15.999 > 11 12 O 0.50000000000000 0.02324764158966 0.22531888487028 15.999 > 12 13 O 0.00000000000000 0.79527978776868 0.36583592002339 15.999 > 13 14 O 0.50000000000000 0.43390437170235 0.53666828551423 15.999 > 14 *15 Ba 0.00000000000000 0.64484068227996 0.75237971827110 137.327 > 15 16 Ba 0.00000000000000 0.35515931772004 0.25237971827111 137.327 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.814951319999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.441170199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.652985240000000 Atomic positions (fractional): *1 H 0.25000000000000 0.14986316457398 0.30638768049679 1.008 > 1 2 H 0.75000000000000 0.14986316457398 0.30638768049679 1.008 > 1 3 H 0.25000000000000 0.64986316457398 0.30638768049679 1.008 > 1 4 H 0.75000000000000 0.64986316457398 0.30638768049679 1.008 > 1 5 H 0.25000000000000 0.14986316457398 0.80638768049679 1.008 > 1 6 H 0.75000000000000 0.14986316457398 0.80638768049679 1.008 > 1 7 H 0.25000000000000 0.64986316457398 0.80638768049679 1.008 > 1 8 H 0.75000000000000 0.64986316457398 0.80638768049679 1.008 > 1 9 H 0.25000000000000 0.35013683542602 0.05638768049679 1.008 > 2 10 H 0.75000000000000 0.35013683542602 0.05638768049679 1.008 > 2 11 H 0.25000000000000 0.85013683542602 0.05638768049679 1.008 > 2 12 H 0.75000000000000 0.85013683542602 0.05638768049679 1.008 > 2 13 H 0.25000000000000 0.35013683542602 0.55638768049679 1.008 > 2 14 H 0.75000000000000 0.35013683542602 0.55638768049679 1.008 > 2 15 H 0.25000000000000 0.85013683542602 0.55638768049679 1.008 > 2 16 H 0.75000000000000 0.85013683542602 0.55638768049679 1.008 > 2 *17 H 0.25000000000000 0.49286102357347 0.29101406216176 1.008 > 3 18 H 0.75000000000000 0.49286102357347 0.29101406216176 1.008 > 3 19 H 0.25000000000000 0.99286102357347 0.29101406216176 1.008 > 3 20 H 0.75000000000000 0.99286102357347 0.29101406216176 1.008 > 3 21 H 0.25000000000000 0.49286102357347 0.79101406216176 1.008 > 3 22 H 0.75000000000000 0.49286102357347 0.79101406216176 1.008 > 3 23 H 0.25000000000000 0.99286102357347 0.79101406216176 1.008 > 3 24 H 0.75000000000000 0.99286102357347 0.79101406216176 1.008 > 3 25 H 0.25000000000000 0.00713897642653 0.04101406216176 1.008 > 4 26 H 0.75000000000000 0.00713897642653 0.04101406216176 1.008 > 4 27 H 0.25000000000000 0.50713897642653 0.04101406216176 1.008 > 4 28 H 0.75000000000000 0.50713897642653 0.04101406216176 1.008 > 4 29 H 0.25000000000000 0.00713897642653 0.54101406216176 1.008 > 4 30 H 0.75000000000000 0.00713897642653 0.54101406216176 1.008 > 4 31 H 0.25000000000000 0.50713897642653 0.54101406216176 1.008 > 4 32 H 0.75000000000000 0.50713897642653 0.54101406216176 1.008 > 4 *33 H 0.10272966399019 0.06146120692561 0.40422343400097 1.008 > 5 34 H 0.60272966399019 0.06146120692561 0.40422343400097 1.008 > 5 35 H 0.10272966399019 0.56146120692561 0.40422343400097 1.008 > 5 36 H 0.60272966399019 0.56146120692561 0.40422343400097 1.008 > 5 37 H 0.10272966399019 0.06146120692561 0.90422343400097 1.008 > 5 38 H 0.60272966399019 0.06146120692561 0.90422343400097 1.008 > 5 39 H 0.10272966399019 0.56146120692561 0.90422343400097 1.008 > 5 40 H 0.60272966399019 0.56146120692561 0.90422343400097 1.008 > 5 41 H 0.39727033600981 0.43853879307439 0.15422343400097 1.008 > 6 42 H 0.89727033600981 0.43853879307439 0.15422343400097 1.008 > 6 43 H 0.39727033600981 0.93853879307439 0.15422343400097 1.008 > 6 44 H 0.89727033600981 0.93853879307439 0.15422343400097 1.008 > 6 45 H 0.39727033600981 0.43853879307439 0.65422343400097 1.008 > 6 46 H 0.89727033600981 0.43853879307439 0.65422343400097 1.008 > 6 47 H 0.39727033600981 0.93853879307439 0.65422343400097 1.008 > 6 48 H 0.89727033600981 0.93853879307439 0.65422343400097 1.008 > 6 49 H 0.10272966399019 0.43853879307439 0.15422343400097 1.008 > 7 50 H 0.60272966399019 0.43853879307439 0.15422343400097 1.008 > 7 51 H 0.10272966399019 0.93853879307439 0.15422343400097 1.008 > 7 52 H 0.60272966399019 0.93853879307439 0.15422343400097 1.008 > 7 53 H 0.10272966399019 0.43853879307439 0.65422343400097 1.008 > 7 54 H 0.60272966399019 0.43853879307439 0.65422343400097 1.008 > 7 55 H 0.10272966399019 0.93853879307439 0.65422343400097 1.008 > 7 56 H 0.60272966399019 0.93853879307439 0.65422343400097 1.008 > 7 57 H 0.39727033600981 0.06146120692561 0.40422343400097 1.008 > 8 58 H 0.89727033600981 0.06146120692561 0.40422343400097 1.008 > 8 59 H 0.39727033600981 0.56146120692561 0.40422343400097 1.008 > 8 60 H 0.89727033600981 0.56146120692561 0.40422343400097 1.008 > 8 61 H 0.39727033600981 0.06146120692561 0.90422343400097 1.008 > 8 62 H 0.89727033600981 0.06146120692561 0.90422343400097 1.008 > 8 63 H 0.39727033600981 0.56146120692561 0.90422343400097 1.008 > 8 64 H 0.89727033600981 0.56146120692561 0.90422343400097 1.008 > 8 *65 O 0.00000000000000 0.10236010611566 0.43291796001170 15.999 > 9 66 O 0.50000000000000 0.10236010611566 0.43291796001170 15.999 > 9 67 O 0.00000000000000 0.60236010611566 0.43291796001170 15.999 > 9 68 O 0.50000000000000 0.60236010611566 0.43291796001170 15.999 > 9 69 O 0.00000000000000 0.10236010611566 0.93291796001170 15.999 > 9 70 O 0.50000000000000 0.10236010611566 0.93291796001170 15.999 > 9 71 O 0.00000000000000 0.60236010611566 0.93291796001170 15.999 > 9 72 O 0.50000000000000 0.60236010611566 0.93291796001170 15.999 > 9 *73 O 0.25000000000000 0.28304781414882 0.01833414275712 15.999 > 10 74 O 0.75000000000000 0.28304781414882 0.01833414275712 15.999 > 10 75 O 0.25000000000000 0.78304781414882 0.01833414275712 15.999 > 10 76 O 0.75000000000000 0.78304781414882 0.01833414275712 15.999 > 10 77 O 0.25000000000000 0.28304781414882 0.51833414275711 15.999 > 10 78 O 0.75000000000000 0.28304781414882 0.51833414275711 15.999 > 10 79 O 0.25000000000000 0.78304781414882 0.51833414275711 15.999 > 10 80 O 0.75000000000000 0.78304781414882 0.51833414275711 15.999 > 10 *81 O 0.25000000000000 0.48837617920517 0.36265944243514 15.999 > 11 82 O 0.75000000000000 0.48837617920517 0.36265944243514 15.999 > 11 83 O 0.25000000000000 0.98837617920517 0.36265944243514 15.999 > 11 84 O 0.75000000000000 0.98837617920517 0.36265944243514 15.999 > 11 85 O 0.25000000000000 0.48837617920517 0.86265944243514 15.999 > 11 86 O 0.75000000000000 0.48837617920517 0.86265944243514 15.999 > 11 87 O 0.25000000000000 0.98837617920517 0.86265944243514 15.999 > 11 88 O 0.75000000000000 0.98837617920517 0.86265944243514 15.999 > 11 89 O 0.25000000000000 0.01162382079483 0.11265944243514 15.999 > 12 90 O 0.75000000000000 0.01162382079483 0.11265944243514 15.999 > 12 91 O 0.25000000000000 0.51162382079483 0.11265944243514 15.999 > 12 92 O 0.75000000000000 0.51162382079483 0.11265944243514 15.999 > 12 93 O 0.25000000000000 0.01162382079483 0.61265944243514 15.999 > 12 94 O 0.75000000000000 0.01162382079483 0.61265944243514 15.999 > 12 95 O 0.25000000000000 0.51162382079483 0.61265944243514 15.999 > 12 96 O 0.75000000000000 0.51162382079483 0.61265944243514 15.999 > 12 97 O 0.00000000000000 0.39763989388434 0.18291796001170 15.999 > 13 98 O 0.50000000000000 0.39763989388434 0.18291796001170 15.999 > 13 99 O 0.00000000000000 0.89763989388434 0.18291796001170 15.999 > 13 100 O 0.50000000000000 0.89763989388434 0.18291796001170 15.999 > 13 101 O 0.00000000000000 0.39763989388434 0.68291796001170 15.999 > 13 102 O 0.50000000000000 0.39763989388434 0.68291796001170 15.999 > 13 103 O 0.00000000000000 0.89763989388434 0.68291796001170 15.999 > 13 104 O 0.50000000000000 0.89763989388434 0.68291796001170 15.999 > 13 105 O 0.25000000000000 0.21695218585118 0.26833414275712 15.999 > 14 106 O 0.75000000000000 0.21695218585118 0.26833414275712 15.999 > 14 107 O 0.25000000000000 0.71695218585118 0.26833414275712 15.999 > 14 108 O 0.75000000000000 0.71695218585118 0.26833414275712 15.999 > 14 109 O 0.25000000000000 0.21695218585118 0.76833414275712 15.999 > 14 110 O 0.75000000000000 0.21695218585118 0.76833414275712 15.999 > 14 111 O 0.25000000000000 0.71695218585118 0.76833414275712 15.999 > 14 112 O 0.75000000000000 0.71695218585118 0.76833414275712 15.999 > 14 *113 Ba 0.00000000000000 0.32242034113998 0.37618985913555 137.327 > 15 114 Ba 0.50000000000000 0.32242034113998 0.37618985913555 137.327 > 15 115 Ba 0.00000000000000 0.82242034113998 0.37618985913555 137.327 > 15 116 Ba 0.50000000000000 0.82242034113998 0.37618985913555 137.327 > 15 117 Ba 0.00000000000000 0.32242034113998 0.87618985913555 137.327 > 15 118 Ba 0.50000000000000 0.32242034113998 0.87618985913555 137.327 > 15 119 Ba 0.00000000000000 0.82242034113998 0.87618985913555 137.327 > 15 120 Ba 0.50000000000000 0.82242034113998 0.87618985913555 137.327 > 15 121 Ba 0.00000000000000 0.17757965886002 0.12618985913555 137.327 > 16 122 Ba 0.50000000000000 0.17757965886002 0.12618985913555 137.327 > 16 123 Ba 0.00000000000000 0.67757965886002 0.12618985913555 137.327 > 16 124 Ba 0.50000000000000 0.67757965886002 0.12618985913555 137.327 > 16 125 Ba 0.00000000000000 0.17757965886002 0.62618985913555 137.327 > 16 126 Ba 0.50000000000000 0.17757965886002 0.62618985913555 137.327 > 16 127 Ba 0.00000000000000 0.67757965886002 0.62618985913555 137.327 > 16 128 Ba 0.50000000000000 0.67757965886002 0.62618985913555 137.327 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0556016 0.0000000 0.0000000 0.0000000 2.9063806 0.0000000 0.0000000 0.0000000 2.8272693 -------------------------- Born effective charges -------------------------- 1 H 0.2902335 0.0000000 0.0000000 0.0000000 0.4809910 -0.0957105 0.0000000 -0.0814165 0.2857987 2 H 0.2902335 0.0000000 0.0000000 0.0000000 0.4809910 0.0957105 0.0000000 0.0814165 0.2857987 3 H 0.3128757 0.0000000 0.0000000 0.0000000 0.3797196 0.0260401 0.0000000 0.0151797 0.2912027 4 H 0.3128757 0.0000000 0.0000000 0.0000000 0.3797196 -0.0260401 0.0000000 -0.0151797 0.2912027 5 H 1.0857125 -0.5340737 -0.4244550 -0.5712333 0.6261238 0.2364390 -0.4086847 0.2140906 0.4356942 6 H 1.0857125 -0.5340737 0.4244550 -0.5712333 0.6261238 -0.2364390 0.4086847 -0.2140906 0.4356942 7 H 1.0857125 0.5340737 -0.4244550 0.5712333 0.6261238 -0.2364390 -0.4086847 -0.2140906 0.4356942 8 H 1.0857125 0.5340737 0.4244550 0.5712333 0.6261238 0.2364390 0.4086847 0.2140906 0.4356942 9 O -1.7341272 0.0000000 0.0000000 0.0000000 -1.4803159 -0.2375899 0.0000000 -0.1778636 -1.3002567 10 O -1.8910618 0.0000000 0.0000000 0.0000000 -1.2417411 0.2660492 0.0000000 0.3310740 -1.6334146 11 O -1.8435476 0.0000000 0.0000000 0.0000000 -1.8270842 -0.1638086 0.0000000 -0.1726346 -0.9889680 12 O -1.8435476 0.0000000 0.0000000 0.0000000 -1.8270842 0.1638086 0.0000000 0.1726346 -0.9889680 13 O -1.7341272 0.0000000 0.0000000 0.0000000 -1.4803159 0.2375899 0.0000000 0.1778636 -1.3002567 14 O -1.8910618 0.0000000 0.0000000 0.0000000 -1.2417411 -0.2660492 0.0000000 -0.3310740 -1.6334146 15 Ba 2.6942023 0.0000000 0.0000000 0.0000000 2.4361831 -0.1239716 0.0000000 -0.0323550 2.4742495 16 Ba 2.6942023 0.0000000 0.0000000 0.0000000 2.4361831 0.1239716 0.0000000 0.0323550 2.4742495 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2480 Number of blocks in projector: 2480 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 672 / 672 (1) 162 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 352 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 352 Use standard eigh solver. Tree of FC basis block matrices: - (2480, 2441), data: False |-- (352, 350), data: True |-- (352, 350), data: True |-- (368, 361), data: True |-- (368, 361), data: True |-- (368, 361), data: True |-- (672, 658), data: False |-- (672, 10), data: (672, 24) @ (24, 10) |-- (172, 162), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 236), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 480 - Time: 0.834 Solver_block: 200 / 480 - Time: 0.874 Solver_block: 300 / 480 - Time: 1.648 Solver_block: 400 / 480 - Time: 0.648 Solver_block: 480 / 480 - Time: 0.584 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.773 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2480 Number of blocks in projector: 2480 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 672 / 672 (1) 162 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 352 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 352 Use standard eigh solver. Tree of FC basis block matrices: - (2480, 2441), data: False |-- (352, 350), data: True |-- (352, 350), data: True |-- (368, 361), data: True |-- (368, 361), data: True |-- (368, 361), data: True |-- (672, 658), data: False |-- (672, 10), data: (672, 24) @ (24, 10) |-- (172, 162), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 236), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-08 05:42:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal 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: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.907475659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220585099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.826492620000000 Atomic positions (fractional): 1 H 0.50000000000000 0.29972632914795 0.61277536099357 1.008 2 H 0.50000000000000 0.70027367085204 0.11277536099357 1.008 3 H 0.50000000000000 0.98572204714695 0.58202812432352 1.008 4 H 0.50000000000000 0.01427795285305 0.08202812432352 1.008 5 H 0.20545932798039 0.12292241385123 0.80844686800195 1.008 6 H 0.79454067201961 0.87707758614877 0.30844686800195 1.008 7 H 0.20545932798039 0.87707758614877 0.30844686800195 1.008 8 H 0.79454067201961 0.12292241385123 0.80844686800195 1.008 9 O 0.00000000000000 0.20472021223132 0.86583592002339 15.999 10 O 0.50000000000000 0.56609562829765 0.03666828551423 15.999 11 O 0.50000000000000 0.97675235841034 0.72531888487028 15.999 12 O 0.50000000000000 0.02324764158966 0.22531888487028 15.999 13 O 0.00000000000000 0.79527978776868 0.36583592002339 15.999 14 O 0.50000000000000 0.43390437170235 0.53666828551423 15.999 15 Ba 0.00000000000000 0.64484068227996 0.75237971827110 137.327 16 Ba 0.00000000000000 0.35515931772004 0.25237971827111 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.814951319999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.441170199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.652985240000000 Atomic positions (fractional): 1 H 0.25000000000000 0.14986316457398 0.30638768049679 1.008 > 1 2 H 0.75000000000000 0.14986316457398 0.30638768049679 1.008 > 1 3 H 0.25000000000000 0.64986316457398 0.30638768049679 1.008 > 1 4 H 0.75000000000000 0.64986316457398 0.30638768049679 1.008 > 1 5 H 0.25000000000000 0.14986316457398 0.80638768049679 1.008 > 1 6 H 0.75000000000000 0.14986316457398 0.80638768049679 1.008 > 1 7 H 0.25000000000000 0.64986316457398 0.80638768049679 1.008 > 1 8 H 0.75000000000000 0.64986316457398 0.80638768049679 1.008 > 1 9 H 0.25000000000000 0.35013683542602 0.05638768049679 1.008 > 9 10 H 0.75000000000000 0.35013683542602 0.05638768049679 1.008 > 9 11 H 0.25000000000000 0.85013683542602 0.05638768049679 1.008 > 9 12 H 0.75000000000000 0.85013683542602 0.05638768049679 1.008 > 9 13 H 0.25000000000000 0.35013683542602 0.55638768049679 1.008 > 9 14 H 0.75000000000000 0.35013683542602 0.55638768049679 1.008 > 9 15 H 0.25000000000000 0.85013683542602 0.55638768049679 1.008 > 9 16 H 0.75000000000000 0.85013683542602 0.55638768049679 1.008 > 9 17 H 0.25000000000000 0.49286102357347 0.29101406216176 1.008 > 17 18 H 0.75000000000000 0.49286102357347 0.29101406216176 1.008 > 17 19 H 0.25000000000000 0.99286102357347 0.29101406216176 1.008 > 17 20 H 0.75000000000000 0.99286102357347 0.29101406216176 1.008 > 17 21 H 0.25000000000000 0.49286102357347 0.79101406216176 1.008 > 17 22 H 0.75000000000000 0.49286102357347 0.79101406216176 1.008 > 17 23 H 0.25000000000000 0.99286102357347 0.79101406216176 1.008 > 17 24 H 0.75000000000000 0.99286102357347 0.79101406216176 1.008 > 17 25 H 0.25000000000000 0.00713897642653 0.04101406216176 1.008 > 25 26 H 0.75000000000000 0.00713897642653 0.04101406216176 1.008 > 25 27 H 0.25000000000000 0.50713897642653 0.04101406216176 1.008 > 25 28 H 0.75000000000000 0.50713897642653 0.04101406216176 1.008 > 25 29 H 0.25000000000000 0.00713897642653 0.54101406216176 1.008 > 25 30 H 0.75000000000000 0.00713897642653 0.54101406216176 1.008 > 25 31 H 0.25000000000000 0.50713897642653 0.54101406216176 1.008 > 25 32 H 0.75000000000000 0.50713897642653 0.54101406216176 1.008 > 25 33 H 0.10272966399019 0.06146120692561 0.40422343400097 1.008 > 33 34 H 0.60272966399019 0.06146120692561 0.40422343400097 1.008 > 33 35 H 0.10272966399019 0.56146120692561 0.40422343400097 1.008 > 33 36 H 0.60272966399019 0.56146120692561 0.40422343400097 1.008 > 33 37 H 0.10272966399019 0.06146120692561 0.90422343400097 1.008 > 33 38 H 0.60272966399019 0.06146120692561 0.90422343400097 1.008 > 33 39 H 0.10272966399019 0.56146120692561 0.90422343400097 1.008 > 33 40 H 0.60272966399019 0.56146120692561 0.90422343400097 1.008 > 33 41 H 0.39727033600981 0.43853879307439 0.15422343400097 1.008 > 41 42 H 0.89727033600981 0.43853879307439 0.15422343400097 1.008 > 41 43 H 0.39727033600981 0.93853879307439 0.15422343400097 1.008 > 41 44 H 0.89727033600981 0.93853879307439 0.15422343400097 1.008 > 41 45 H 0.39727033600981 0.43853879307439 0.65422343400097 1.008 > 41 46 H 0.89727033600981 0.43853879307439 0.65422343400097 1.008 > 41 47 H 0.39727033600981 0.93853879307439 0.65422343400097 1.008 > 41 48 H 0.89727033600981 0.93853879307439 0.65422343400097 1.008 > 41 49 H 0.10272966399019 0.43853879307439 0.15422343400097 1.008 > 49 50 H 0.60272966399019 0.43853879307439 0.15422343400097 1.008 > 49 51 H 0.10272966399019 0.93853879307439 0.15422343400097 1.008 > 49 52 H 0.60272966399019 0.93853879307439 0.15422343400097 1.008 > 49 53 H 0.10272966399019 0.43853879307439 0.65422343400097 1.008 > 49 54 H 0.60272966399019 0.43853879307439 0.65422343400097 1.008 > 49 55 H 0.10272966399019 0.93853879307439 0.65422343400097 1.008 > 49 56 H 0.60272966399019 0.93853879307439 0.65422343400097 1.008 > 49 57 H 0.39727033600981 0.06146120692561 0.40422343400097 1.008 > 57 58 H 0.89727033600981 0.06146120692561 0.40422343400097 1.008 > 57 59 H 0.39727033600981 0.56146120692561 0.40422343400097 1.008 > 57 60 H 0.89727033600981 0.56146120692561 0.40422343400097 1.008 > 57 61 H 0.39727033600981 0.06146120692561 0.90422343400097 1.008 > 57 62 H 0.89727033600981 0.06146120692561 0.90422343400097 1.008 > 57 63 H 0.39727033600981 0.56146120692561 0.90422343400097 1.008 > 57 64 H 0.89727033600981 0.56146120692561 0.90422343400097 1.008 > 57 65 O 0.00000000000000 0.10236010611566 0.43291796001170 15.999 > 65 66 O 0.50000000000000 0.10236010611566 0.43291796001170 15.999 > 65 67 O 0.00000000000000 0.60236010611566 0.43291796001170 15.999 > 65 68 O 0.50000000000000 0.60236010611566 0.43291796001170 15.999 > 65 69 O 0.00000000000000 0.10236010611566 0.93291796001170 15.999 > 65 70 O 0.50000000000000 0.10236010611566 0.93291796001170 15.999 > 65 71 O 0.00000000000000 0.60236010611566 0.93291796001170 15.999 > 65 72 O 0.50000000000000 0.60236010611566 0.93291796001170 15.999 > 65 73 O 0.25000000000000 0.28304781414882 0.01833414275712 15.999 > 73 74 O 0.75000000000000 0.28304781414882 0.01833414275712 15.999 > 73 75 O 0.25000000000000 0.78304781414882 0.01833414275712 15.999 > 73 76 O 0.75000000000000 0.78304781414882 0.01833414275712 15.999 > 73 77 O 0.25000000000000 0.28304781414882 0.51833414275711 15.999 > 73 78 O 0.75000000000000 0.28304781414882 0.51833414275711 15.999 > 73 79 O 0.25000000000000 0.78304781414882 0.51833414275711 15.999 > 73 80 O 0.75000000000000 0.78304781414882 0.51833414275711 15.999 > 73 81 O 0.25000000000000 0.48837617920517 0.36265944243514 15.999 > 81 82 O 0.75000000000000 0.48837617920517 0.36265944243514 15.999 > 81 83 O 0.25000000000000 0.98837617920517 0.36265944243514 15.999 > 81 84 O 0.75000000000000 0.98837617920517 0.36265944243514 15.999 > 81 85 O 0.25000000000000 0.48837617920517 0.86265944243514 15.999 > 81 86 O 0.75000000000000 0.48837617920517 0.86265944243514 15.999 > 81 87 O 0.25000000000000 0.98837617920517 0.86265944243514 15.999 > 81 88 O 0.75000000000000 0.98837617920517 0.86265944243514 15.999 > 81 89 O 0.25000000000000 0.01162382079483 0.11265944243514 15.999 > 89 90 O 0.75000000000000 0.01162382079483 0.11265944243514 15.999 > 89 91 O 0.25000000000000 0.51162382079483 0.11265944243514 15.999 > 89 92 O 0.75000000000000 0.51162382079483 0.11265944243514 15.999 > 89 93 O 0.25000000000000 0.01162382079483 0.61265944243514 15.999 > 89 94 O 0.75000000000000 0.01162382079483 0.61265944243514 15.999 > 89 95 O 0.25000000000000 0.51162382079483 0.61265944243514 15.999 > 89 96 O 0.75000000000000 0.51162382079483 0.61265944243514 15.999 > 89 97 O 0.00000000000000 0.39763989388434 0.18291796001170 15.999 > 97 98 O 0.50000000000000 0.39763989388434 0.18291796001170 15.999 > 97 99 O 0.00000000000000 0.89763989388434 0.18291796001170 15.999 > 97 100 O 0.50000000000000 0.89763989388434 0.18291796001170 15.999 > 97 101 O 0.00000000000000 0.39763989388434 0.68291796001170 15.999 > 97 102 O 0.50000000000000 0.39763989388434 0.68291796001170 15.999 > 97 103 O 0.00000000000000 0.89763989388434 0.68291796001170 15.999 > 97 104 O 0.50000000000000 0.89763989388434 0.68291796001170 15.999 > 97 105 O 0.25000000000000 0.21695218585118 0.26833414275712 15.999 > 105 106 O 0.75000000000000 0.21695218585118 0.26833414275712 15.999 > 105 107 O 0.25000000000000 0.71695218585118 0.26833414275712 15.999 > 105 108 O 0.75000000000000 0.71695218585118 0.26833414275712 15.999 > 105 109 O 0.25000000000000 0.21695218585118 0.76833414275712 15.999 > 105 110 O 0.75000000000000 0.21695218585118 0.76833414275712 15.999 > 105 111 O 0.25000000000000 0.71695218585118 0.76833414275712 15.999 > 105 112 O 0.75000000000000 0.71695218585118 0.76833414275712 15.999 > 105 113 Ba 0.00000000000000 0.32242034113998 0.37618985913555 137.327 > 113 114 Ba 0.50000000000000 0.32242034113998 0.37618985913555 137.327 > 113 115 Ba 0.00000000000000 0.82242034113998 0.37618985913555 137.327 > 113 116 Ba 0.50000000000000 0.82242034113998 0.37618985913555 137.327 > 113 117 Ba 0.00000000000000 0.32242034113998 0.87618985913555 137.327 > 113 118 Ba 0.50000000000000 0.32242034113998 0.87618985913555 137.327 > 113 119 Ba 0.00000000000000 0.82242034113998 0.87618985913555 137.327 > 113 120 Ba 0.50000000000000 0.82242034113998 0.87618985913555 137.327 > 113 121 Ba 0.00000000000000 0.17757965886002 0.12618985913555 137.327 > 121 122 Ba 0.50000000000000 0.17757965886002 0.12618985913555 137.327 > 121 123 Ba 0.00000000000000 0.67757965886002 0.12618985913555 137.327 > 121 124 Ba 0.50000000000000 0.67757965886002 0.12618985913555 137.327 > 121 125 Ba 0.00000000000000 0.17757965886002 0.62618985913555 137.327 > 121 126 Ba 0.50000000000000 0.17757965886002 0.62618985913555 137.327 > 121 127 Ba 0.00000000000000 0.67757965886002 0.62618985913555 137.327 > 121 128 Ba 0.50000000000000 0.67757965886002 0.62618985913555 137.327 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0556016 0.0000000 0.0000000 0.0000000 2.9063806 0.0000000 0.0000000 0.0000000 2.8272693 -------------------------- Born effective charges -------------------------- 1 H 0.2902335 0.0000000 0.0000000 0.0000000 0.4809910 -0.0957105 0.0000000 -0.0814165 0.2857987 2 H 0.2902335 0.0000000 0.0000000 0.0000000 0.4809910 0.0957105 0.0000000 0.0814165 0.2857987 3 H 0.3128757 0.0000000 0.0000000 0.0000000 0.3797196 0.0260401 0.0000000 0.0151797 0.2912027 4 H 0.3128757 0.0000000 0.0000000 0.0000000 0.3797196 -0.0260401 0.0000000 -0.0151797 0.2912027 5 H 1.0857125 -0.5340737 -0.4244550 -0.5712333 0.6261238 0.2364390 -0.4086847 0.2140906 0.4356942 6 H 1.0857125 -0.5340737 0.4244550 -0.5712333 0.6261238 -0.2364390 0.4086847 -0.2140906 0.4356942 7 H 1.0857125 0.5340737 -0.4244550 0.5712333 0.6261238 -0.2364390 -0.4086847 -0.2140906 0.4356942 8 H 1.0857125 0.5340737 0.4244550 0.5712333 0.6261238 0.2364390 0.4086847 0.2140906 0.4356942 9 O -1.7341272 0.0000000 0.0000000 0.0000000 -1.4803159 -0.2375899 0.0000000 -0.1778636 -1.3002567 10 O -1.8910618 0.0000000 0.0000000 0.0000000 -1.2417411 0.2660492 0.0000000 0.3310740 -1.6334146 11 O -1.8435476 0.0000000 0.0000000 0.0000000 -1.8270842 -0.1638086 0.0000000 -0.1726346 -0.9889680 12 O -1.8435476 0.0000000 0.0000000 0.0000000 -1.8270842 0.1638086 0.0000000 0.1726346 -0.9889680 13 O -1.7341272 0.0000000 0.0000000 0.0000000 -1.4803159 0.2375899 0.0000000 0.1778636 -1.3002567 14 O -1.8910618 0.0000000 0.0000000 0.0000000 -1.2417411 -0.2660492 0.0000000 -0.3310740 -1.6334146 15 Ba 2.6942023 0.0000000 0.0000000 0.0000000 2.4361831 -0.1239716 0.0000000 -0.0323550 2.4742495 16 Ba 2.6942023 0.0000000 0.0000000 0.0000000 2.4361831 0.1239716 0.0000000 0.0323550 2.4742495 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000062 (xyx) 0.00000062 (xyx) 0.00000062 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000018 (zy) -0.00000018 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:43:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:43:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.907475659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220585099999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.826492620000000 Atomic positions (fractional): 1 H 0.50000000000000 0.29972632914795 0.61277536099357 1.008 2 H 0.50000000000000 0.70027367085204 0.11277536099357 1.008 3 H 0.50000000000000 0.98572204714695 0.58202812432352 1.008 4 H 0.50000000000000 0.01427795285305 0.08202812432352 1.008 5 H 0.20545932798039 0.12292241385123 0.80844686800195 1.008 6 H 0.79454067201961 0.87707758614877 0.30844686800195 1.008 7 H 0.20545932798039 0.87707758614877 0.30844686800195 1.008 8 H 0.79454067201961 0.12292241385123 0.80844686800195 1.008 9 O 0.00000000000000 0.20472021223132 0.86583592002339 15.999 10 O 0.50000000000000 0.56609562829765 0.03666828551423 15.999 11 O 0.50000000000000 0.97675235841034 0.72531888487028 15.999 12 O 0.50000000000000 0.02324764158966 0.22531888487028 15.999 13 O 0.00000000000000 0.79527978776868 0.36583592002339 15.999 14 O 0.50000000000000 0.43390437170235 0.53666828551423 15.999 15 Ba 0.00000000000000 0.64484068227996 0.75237971827110 137.327 16 Ba 0.00000000000000 0.35515931772004 0.25237971827111 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.814951319999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.441170199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.652985240000000 Atomic positions (fractional): 1 H 0.25000000000000 0.14986316457398 0.30638768049679 1.008 > 1 2 H 0.75000000000000 0.14986316457398 0.30638768049679 1.008 > 1 3 H 0.25000000000000 0.64986316457398 0.30638768049679 1.008 > 1 4 H 0.75000000000000 0.64986316457398 0.30638768049679 1.008 > 1 5 H 0.25000000000000 0.14986316457398 0.80638768049679 1.008 > 1 6 H 0.75000000000000 0.14986316457398 0.80638768049679 1.008 > 1 7 H 0.25000000000000 0.64986316457398 0.80638768049679 1.008 > 1 8 H 0.75000000000000 0.64986316457398 0.80638768049679 1.008 > 1 9 H 0.25000000000000 0.35013683542602 0.05638768049679 1.008 > 9 10 H 0.75000000000000 0.35013683542602 0.05638768049679 1.008 > 9 11 H 0.25000000000000 0.85013683542602 0.05638768049679 1.008 > 9 12 H 0.75000000000000 0.85013683542602 0.05638768049679 1.008 > 9 13 H 0.25000000000000 0.35013683542602 0.55638768049679 1.008 > 9 14 H 0.75000000000000 0.35013683542602 0.55638768049679 1.008 > 9 15 H 0.25000000000000 0.85013683542602 0.55638768049679 1.008 > 9 16 H 0.75000000000000 0.85013683542602 0.55638768049679 1.008 > 9 17 H 0.25000000000000 0.49286102357347 0.29101406216176 1.008 > 17 18 H 0.75000000000000 0.49286102357347 0.29101406216176 1.008 > 17 19 H 0.25000000000000 0.99286102357347 0.29101406216176 1.008 > 17 20 H 0.75000000000000 0.99286102357347 0.29101406216176 1.008 > 17 21 H 0.25000000000000 0.49286102357347 0.79101406216176 1.008 > 17 22 H 0.75000000000000 0.49286102357347 0.79101406216176 1.008 > 17 23 H 0.25000000000000 0.99286102357347 0.79101406216176 1.008 > 17 24 H 0.75000000000000 0.99286102357347 0.79101406216176 1.008 > 17 25 H 0.25000000000000 0.00713897642653 0.04101406216176 1.008 > 25 26 H 0.75000000000000 0.00713897642653 0.04101406216176 1.008 > 25 27 H 0.25000000000000 0.50713897642653 0.04101406216176 1.008 > 25 28 H 0.75000000000000 0.50713897642653 0.04101406216176 1.008 > 25 29 H 0.25000000000000 0.00713897642653 0.54101406216176 1.008 > 25 30 H 0.75000000000000 0.00713897642653 0.54101406216176 1.008 > 25 31 H 0.25000000000000 0.50713897642653 0.54101406216176 1.008 > 25 32 H 0.75000000000000 0.50713897642653 0.54101406216176 1.008 > 25 33 H 0.10272966399019 0.06146120692561 0.40422343400097 1.008 > 33 34 H 0.60272966399019 0.06146120692561 0.40422343400097 1.008 > 33 35 H 0.10272966399019 0.56146120692561 0.40422343400097 1.008 > 33 36 H 0.60272966399019 0.56146120692561 0.40422343400097 1.008 > 33 37 H 0.10272966399019 0.06146120692561 0.90422343400097 1.008 > 33 38 H 0.60272966399019 0.06146120692561 0.90422343400097 1.008 > 33 39 H 0.10272966399019 0.56146120692561 0.90422343400097 1.008 > 33 40 H 0.60272966399019 0.56146120692561 0.90422343400097 1.008 > 33 41 H 0.39727033600981 0.43853879307439 0.15422343400097 1.008 > 41 42 H 0.89727033600981 0.43853879307439 0.15422343400097 1.008 > 41 43 H 0.39727033600981 0.93853879307439 0.15422343400097 1.008 > 41 44 H 0.89727033600981 0.93853879307439 0.15422343400097 1.008 > 41 45 H 0.39727033600981 0.43853879307439 0.65422343400097 1.008 > 41 46 H 0.89727033600981 0.43853879307439 0.65422343400097 1.008 > 41 47 H 0.39727033600981 0.93853879307439 0.65422343400097 1.008 > 41 48 H 0.89727033600981 0.93853879307439 0.65422343400097 1.008 > 41 49 H 0.10272966399019 0.43853879307439 0.15422343400097 1.008 > 49 50 H 0.60272966399019 0.43853879307439 0.15422343400097 1.008 > 49 51 H 0.10272966399019 0.93853879307439 0.15422343400097 1.008 > 49 52 H 0.60272966399019 0.93853879307439 0.15422343400097 1.008 > 49 53 H 0.10272966399019 0.43853879307439 0.65422343400097 1.008 > 49 54 H 0.60272966399019 0.43853879307439 0.65422343400097 1.008 > 49 55 H 0.10272966399019 0.93853879307439 0.65422343400097 1.008 > 49 56 H 0.60272966399019 0.93853879307439 0.65422343400097 1.008 > 49 57 H 0.39727033600981 0.06146120692561 0.40422343400097 1.008 > 57 58 H 0.89727033600981 0.06146120692561 0.40422343400097 1.008 > 57 59 H 0.39727033600981 0.56146120692561 0.40422343400097 1.008 > 57 60 H 0.89727033600981 0.56146120692561 0.40422343400097 1.008 > 57 61 H 0.39727033600981 0.06146120692561 0.90422343400097 1.008 > 57 62 H 0.89727033600981 0.06146120692561 0.90422343400097 1.008 > 57 63 H 0.39727033600981 0.56146120692561 0.90422343400097 1.008 > 57 64 H 0.89727033600981 0.56146120692561 0.90422343400097 1.008 > 57 65 O 0.00000000000000 0.10236010611566 0.43291796001170 15.999 > 65 66 O 0.50000000000000 0.10236010611566 0.43291796001170 15.999 > 65 67 O 0.00000000000000 0.60236010611566 0.43291796001170 15.999 > 65 68 O 0.50000000000000 0.60236010611566 0.43291796001170 15.999 > 65 69 O 0.00000000000000 0.10236010611566 0.93291796001170 15.999 > 65 70 O 0.50000000000000 0.10236010611566 0.93291796001170 15.999 > 65 71 O 0.00000000000000 0.60236010611566 0.93291796001170 15.999 > 65 72 O 0.50000000000000 0.60236010611566 0.93291796001170 15.999 > 65 73 O 0.25000000000000 0.28304781414882 0.01833414275712 15.999 > 73 74 O 0.75000000000000 0.28304781414882 0.01833414275712 15.999 > 73 75 O 0.25000000000000 0.78304781414882 0.01833414275712 15.999 > 73 76 O 0.75000000000000 0.78304781414882 0.01833414275712 15.999 > 73 77 O 0.25000000000000 0.28304781414882 0.51833414275711 15.999 > 73 78 O 0.75000000000000 0.28304781414882 0.51833414275711 15.999 > 73 79 O 0.25000000000000 0.78304781414882 0.51833414275711 15.999 > 73 80 O 0.75000000000000 0.78304781414882 0.51833414275711 15.999 > 73 81 O 0.25000000000000 0.48837617920517 0.36265944243514 15.999 > 81 82 O 0.75000000000000 0.48837617920517 0.36265944243514 15.999 > 81 83 O 0.25000000000000 0.98837617920517 0.36265944243514 15.999 > 81 84 O 0.75000000000000 0.98837617920517 0.36265944243514 15.999 > 81 85 O 0.25000000000000 0.48837617920517 0.86265944243514 15.999 > 81 86 O 0.75000000000000 0.48837617920517 0.86265944243514 15.999 > 81 87 O 0.25000000000000 0.98837617920517 0.86265944243514 15.999 > 81 88 O 0.75000000000000 0.98837617920517 0.86265944243514 15.999 > 81 89 O 0.25000000000000 0.01162382079483 0.11265944243514 15.999 > 89 90 O 0.75000000000000 0.01162382079483 0.11265944243514 15.999 > 89 91 O 0.25000000000000 0.51162382079483 0.11265944243514 15.999 > 89 92 O 0.75000000000000 0.51162382079483 0.11265944243514 15.999 > 89 93 O 0.25000000000000 0.01162382079483 0.61265944243514 15.999 > 89 94 O 0.75000000000000 0.01162382079483 0.61265944243514 15.999 > 89 95 O 0.25000000000000 0.51162382079483 0.61265944243514 15.999 > 89 96 O 0.75000000000000 0.51162382079483 0.61265944243514 15.999 > 89 97 O 0.00000000000000 0.39763989388434 0.18291796001170 15.999 > 97 98 O 0.50000000000000 0.39763989388434 0.18291796001170 15.999 > 97 99 O 0.00000000000000 0.89763989388434 0.18291796001170 15.999 > 97 100 O 0.50000000000000 0.89763989388434 0.18291796001170 15.999 > 97 101 O 0.00000000000000 0.39763989388434 0.68291796001170 15.999 > 97 102 O 0.50000000000000 0.39763989388434 0.68291796001170 15.999 > 97 103 O 0.00000000000000 0.89763989388434 0.68291796001170 15.999 > 97 104 O 0.50000000000000 0.89763989388434 0.68291796001170 15.999 > 97 105 O 0.25000000000000 0.21695218585118 0.26833414275712 15.999 > 105 106 O 0.75000000000000 0.21695218585118 0.26833414275712 15.999 > 105 107 O 0.25000000000000 0.71695218585118 0.26833414275712 15.999 > 105 108 O 0.75000000000000 0.71695218585118 0.26833414275712 15.999 > 105 109 O 0.25000000000000 0.21695218585118 0.76833414275712 15.999 > 105 110 O 0.75000000000000 0.21695218585118 0.76833414275712 15.999 > 105 111 O 0.25000000000000 0.71695218585118 0.76833414275712 15.999 > 105 112 O 0.75000000000000 0.71695218585118 0.76833414275712 15.999 > 105 113 Ba 0.00000000000000 0.32242034113998 0.37618985913555 137.327 > 113 114 Ba 0.50000000000000 0.32242034113998 0.37618985913555 137.327 > 113 115 Ba 0.00000000000000 0.82242034113998 0.37618985913555 137.327 > 113 116 Ba 0.50000000000000 0.82242034113998 0.37618985913555 137.327 > 113 117 Ba 0.00000000000000 0.32242034113998 0.87618985913555 137.327 > 113 118 Ba 0.50000000000000 0.32242034113998 0.87618985913555 137.327 > 113 119 Ba 0.00000000000000 0.82242034113998 0.87618985913555 137.327 > 113 120 Ba 0.50000000000000 0.82242034113998 0.87618985913555 137.327 > 113 121 Ba 0.00000000000000 0.17757965886002 0.12618985913555 137.327 > 121 122 Ba 0.50000000000000 0.17757965886002 0.12618985913555 137.327 > 121 123 Ba 0.00000000000000 0.67757965886002 0.12618985913555 137.327 > 121 124 Ba 0.50000000000000 0.67757965886002 0.12618985913555 137.327 > 121 125 Ba 0.00000000000000 0.17757965886002 0.62618985913555 137.327 > 121 126 Ba 0.50000000000000 0.17757965886002 0.62618985913555 137.327 > 121 127 Ba 0.00000000000000 0.67757965886002 0.62618985913555 137.327 > 121 128 Ba 0.50000000000000 0.67757965886002 0.62618985913555 137.327 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0556016 0.0000000 0.0000000 0.0000000 2.9063806 0.0000000 0.0000000 0.0000000 2.8272693 -------------------------- Born effective charges -------------------------- 1 H 0.2902335 0.0000000 0.0000000 0.0000000 0.4809910 -0.0957105 0.0000000 -0.0814165 0.2857987 2 H 0.2902335 0.0000000 0.0000000 0.0000000 0.4809910 0.0957105 0.0000000 0.0814165 0.2857987 3 H 0.3128757 0.0000000 0.0000000 0.0000000 0.3797196 0.0260401 0.0000000 0.0151797 0.2912027 4 H 0.3128757 0.0000000 0.0000000 0.0000000 0.3797196 -0.0260401 0.0000000 -0.0151797 0.2912027 5 H 1.0857125 -0.5340737 -0.4244550 -0.5712333 0.6261238 0.2364390 -0.4086847 0.2140906 0.4356942 6 H 1.0857125 -0.5340737 0.4244550 -0.5712333 0.6261238 -0.2364390 0.4086847 -0.2140906 0.4356942 7 H 1.0857125 0.5340737 -0.4244550 0.5712333 0.6261238 -0.2364390 -0.4086847 -0.2140906 0.4356942 8 H 1.0857125 0.5340737 0.4244550 0.5712333 0.6261238 0.2364390 0.4086847 0.2140906 0.4356942 9 O -1.7341272 0.0000000 0.0000000 0.0000000 -1.4803159 -0.2375899 0.0000000 -0.1778636 -1.3002567 10 O -1.8910618 0.0000000 0.0000000 0.0000000 -1.2417411 0.2660492 0.0000000 0.3310740 -1.6334146 11 O -1.8435476 0.0000000 0.0000000 0.0000000 -1.8270842 -0.1638086 0.0000000 -0.1726346 -0.9889680 12 O -1.8435476 0.0000000 0.0000000 0.0000000 -1.8270842 0.1638086 0.0000000 0.1726346 -0.9889680 13 O -1.7341272 0.0000000 0.0000000 0.0000000 -1.4803159 0.2375899 0.0000000 0.1778636 -1.3002567 14 O -1.8910618 0.0000000 0.0000000 0.0000000 -1.2417411 -0.2660492 0.0000000 -0.3310740 -1.6334146 15 Ba 2.6942023 0.0000000 0.0000000 0.0000000 2.4361831 -0.1239716 0.0000000 -0.0323550 2.4742495 16 Ba 2.6942023 0.0000000 0.0000000 0.0000000 2.4361831 0.1239716 0.0000000 0.0323550 2.4742495 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000062 (xyx) 0.00000062 (xyx) 0.00000062 (xxy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 8 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: 0.76, Number of G-points: 295, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 2.105 ( 0.000 0.000 -0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 -0.000) 0.000 3.856 ( 0.000 0.000 -0.000) 0.000 4.020 ( 0.000 0.000 -0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 -0.000) 0.000 5.022 ( 0.000 0.000 -0.000) 0.000 5.225 ( 0.000 0.000 -0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 -0.000) 0.000 6.182 ( 0.000 0.000 -0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 -0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 -0.000) 0.000 11.756 ( 0.000 0.000 -0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 -0.000) 0.000 16.520 ( 0.000 0.000 0.000) 0.000 16.524 ( 0.000 0.000 0.000) 0.000 18.719 ( 0.000 0.000 0.000) 0.000 19.037 ( 0.000 0.000 0.000) 0.000 22.362 ( 0.000 0.000 0.000) 0.000 23.936 ( 0.000 0.000 0.000) 0.000 25.595 ( 0.000 0.000 -0.000) 0.000 25.823 ( 0.000 0.000 0.000) 0.000 30.795 ( 0.000 0.000 -0.000) 0.000 32.700 ( 0.000 0.000 -0.000) 0.000 32.794 ( 0.000 0.000 0.000) 0.000 32.853 ( 0.000 0.000 0.000) 0.000 50.319 ( 0.000 0.000 0.000) 0.000 50.352 ( 0.000 0.000 0.000) 0.000 77.364 ( 0.000 0.000 0.000) 0.000 77.381 ( 0.000 0.000 -0.000) 0.000 83.885 ( 0.000 0.000 -0.000) 0.000 84.765 ( 0.000 0.000 0.000) 0.000 107.368 ( 0.000 0.000 -0.000) 0.000 107.421 ( 0.000 0.000 -0.000) 0.000 109.564 ( 0.000 0.000 -0.000) 0.000 109.805 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 21.189 0.000 0.000) 21.189 0.427 ( 21.946 0.000 0.000) 21.946 1.031 ( 50.559 0.000 0.000) 50.559 2.206 ( 9.683 0.000 0.000) 9.683 2.515 ( -2.074 0.000 0.000) 2.074 3.175 ( -2.729 0.000 0.000) 2.729 3.755 ( -7.715 0.000 0.000) 7.715 4.188 ( 9.877 0.000 0.000) 9.877 4.251 ( 0.037 0.000 0.000) 0.037 4.522 ( 4.670 0.000 0.000) 4.670 5.018 ( 0.423 0.000 0.000) 0.423 5.177 ( -4.154 0.000 0.000) 4.154 5.580 ( -6.025 0.000 0.000) 6.025 5.760 ( -2.964 0.000 0.000) 2.964 6.480 ( 2.087 0.000 0.000) 2.087 6.496 ( 4.772 0.000 0.000) 4.772 6.723 ( -6.295 0.000 0.000) 6.295 7.322 ( 13.468 0.000 0.000) 13.468 7.613 ( -4.842 0.000 0.000) 4.842 8.826 ( 0.516 0.000 0.000) 0.516 9.246 ( 9.920 0.000 0.000) 9.920 10.663 ( -3.107 0.000 0.000) 3.107 11.331 ( -3.067 0.000 0.000) 3.067 11.652 ( -9.928 0.000 0.000) 9.928 14.428 ( 14.926 0.000 0.000) 14.926 16.100 ( 3.853 0.000 0.000) 3.853 16.469 ( -5.011 0.000 0.000) 5.011 16.494 ( -2.982 0.000 0.000) 2.982 18.795 ( 7.608 0.000 0.000) 7.608 20.119 ( 2.924 0.000 0.000) 2.924 22.339 ( -2.190 0.000 0.000) 2.190 23.779 ( -13.975 0.000 0.000) 13.975 25.959 ( 13.495 0.000 0.000) 13.495 26.010 ( 23.788 0.000 0.000) 23.788 30.936 ( 6.215 0.000 0.000) 6.215 32.437 ( -16.230 0.000 0.000) 16.230 32.790 ( -0.412 0.000 0.000) 0.412 33.107 ( 15.334 0.000 0.000) 15.334 50.214 ( -10.556 0.000 0.000) 10.556 50.240 ( -11.227 0.000 0.000) 11.227 77.557 ( 19.154 0.000 0.000) 19.154 81.215 ( 5.896 0.000 0.000) 5.896 83.872 ( -1.316 0.000 0.000) 1.316 84.672 ( -9.387 0.000 0.000) 9.387 107.367 ( -0.065 0.000 0.000) 0.065 107.419 ( -0.251 0.000 0.000) 0.251 109.564 ( 0.010 0.000 0.000) 0.010 109.802 ( -0.272 0.000 0.000) 0.272 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 20.066 0.000 0.000) 20.066 0.866 ( 22.519 0.000 0.000) 22.519 1.948 ( 40.097 0.000 0.000) 40.097 2.445 ( 13.082 0.000 0.000) 13.082 2.492 ( 1.890 0.000 0.000) 1.890 3.055 ( -9.929 0.000 0.000) 9.929 3.615 ( -5.548 0.000 0.000) 5.548 4.260 ( 1.282 0.000 0.000) 1.282 4.402 ( 11.180 0.000 0.000) 11.180 4.590 ( 1.123 0.000 0.000) 1.123 5.080 ( 6.175 0.000 0.000) 6.175 5.103 ( -2.432 0.000 0.000) 2.432 5.441 ( -7.555 0.000 0.000) 7.555 5.691 ( -3.592 0.000 0.000) 3.592 6.522 ( 1.955 0.000 0.000) 1.955 6.577 ( -7.354 0.000 0.000) 7.354 6.633 ( 8.217 0.000 0.000) 8.217 7.477 ( -8.886 0.000 0.000) 8.886 7.639 ( 17.741 0.000 0.000) 17.741 8.689 ( -12.951 0.000 0.000) 12.951 9.610 ( 23.801 0.000 0.000) 23.801 10.558 ( -7.882 0.000 0.000) 7.882 11.260 ( -3.583 0.000 0.000) 3.583 11.409 ( -13.445 0.000 0.000) 13.445 14.818 ( 23.382 0.000 0.000) 23.382 16.205 ( 6.441 0.000 0.000) 6.441 16.332 ( -8.454 0.000 0.000) 8.454 16.414 ( -4.929 0.000 0.000) 4.929 19.005 ( 13.309 0.000 0.000) 13.309 20.199 ( 4.911 0.000 0.000) 4.911 22.285 ( -3.019 0.000 0.000) 3.019 23.465 ( -16.670 0.000 0.000) 16.670 26.332 ( 23.672 0.000 0.000) 23.672 26.602 ( 34.648 0.000 0.000) 34.648 31.111 ( 11.282 0.000 0.000) 11.282 32.123 ( -15.350 0.000 0.000) 15.350 32.777 ( -1.013 0.000 0.000) 1.013 33.396 ( 13.739 0.000 0.000) 13.739 49.916 ( -19.182 0.000 0.000) 19.182 49.923 ( -20.488 0.000 0.000) 20.488 78.089 ( 33.946 0.000 0.000) 33.946 81.379 ( 10.462 0.000 0.000) 10.462 83.834 ( -2.422 0.000 0.000) 2.422 84.404 ( -17.462 0.000 0.000) 17.462 107.365 ( -0.113 0.000 0.000) 0.113 107.412 ( -0.436 0.000 0.000) 0.436 109.564 ( 0.018 0.000 0.000) 0.018 109.795 ( -0.472 0.000 0.000) 0.472 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 18.216 0.000 0.000) 18.216 1.308 ( 22.165 0.000 0.000) 22.165 2.342 ( 3.445 0.000 0.000) 3.445 2.557 ( -9.087 0.000 0.000) 9.087 2.839 ( 29.272 0.000 0.000) 29.272 2.924 ( 4.505 0.000 0.000) 4.505 3.533 ( -3.588 0.000 0.000) 3.588 4.323 ( 5.777 0.000 0.000) 5.777 4.572 ( -2.282 0.000 0.000) 2.282 4.619 ( 11.134 0.000 0.000) 11.134 5.083 ( -0.422 0.000 0.000) 0.422 5.206 ( 4.234 0.000 0.000) 4.234 5.303 ( -5.859 0.000 0.000) 5.859 5.645 ( -0.164 0.000 0.000) 0.164 6.429 ( -6.850 0.000 0.000) 6.850 6.553 ( 1.158 0.000 0.000) 1.158 6.828 ( 10.725 0.000 0.000) 10.725 7.266 ( -12.415 0.000 0.000) 12.415 7.990 ( 17.379 0.000 0.000) 17.379 8.364 ( -19.448 0.000 0.000) 19.448 10.070 ( 20.682 0.000 0.000) 20.682 10.349 ( -13.169 0.000 0.000) 13.169 11.179 ( -8.291 0.000 0.000) 8.291 11.205 ( -1.909 0.000 0.000) 1.909 15.304 ( 24.981 0.000 0.000) 24.981 16.146 ( -9.792 0.000 0.000) 9.792 16.310 ( -5.369 0.000 0.000) 5.369 16.347 ( 7.382 0.000 0.000) 7.382 19.298 ( 15.827 0.000 0.000) 15.827 20.304 ( 5.550 0.000 0.000) 5.550 22.228 ( -2.615 0.000 0.000) 2.615 23.153 ( -14.559 0.000 0.000) 14.559 26.857 ( 28.690 0.000 0.000) 28.690 27.322 ( 37.338 0.000 0.000) 37.338 31.367 ( 14.391 0.000 0.000) 14.391 31.841 ( -13.165 0.000 0.000) 13.165 32.748 ( -1.963 0.000 0.000) 1.963 33.642 ( 11.165 0.000 0.000) 11.165 49.459 ( -25.871 0.000 0.000) 25.871 49.483 ( -24.057 0.000 0.000) 24.057 78.849 ( 42.148 0.000 0.000) 42.148 81.612 ( 12.746 0.000 0.000) 12.746 83.779 ( -3.165 0.000 0.000) 3.165 83.997 ( -23.540 0.000 0.000) 23.540 107.363 ( -0.132 0.000 0.000) 0.132 107.402 ( -0.510 0.000 0.000) 0.510 109.565 ( 0.023 0.000 0.000) 0.023 109.784 ( -0.554 0.000 0.000) 0.554 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 15.181 0.000 0.000) 15.181 1.724 ( 19.578 0.000 0.000) 19.578 2.226 ( -19.152 0.000 0.000) 19.152 2.386 ( 2.325 0.000 0.000) 2.325 3.121 ( 10.827 0.000 0.000) 10.827 3.325 ( 18.792 0.000 0.000) 18.792 3.456 ( -4.019 0.000 0.000) 4.019 4.495 ( 7.574 0.000 0.000) 7.574 4.526 ( 1.650 0.000 0.000) 1.650 4.849 ( 11.964 0.000 0.000) 11.964 5.051 ( -2.804 0.000 0.000) 2.804 5.194 ( -4.906 0.000 0.000) 4.906 5.227 ( -2.177 0.000 0.000) 2.177 5.692 ( 3.809 0.000 0.000) 3.809 6.329 ( -2.972 0.000 0.000) 2.972 6.567 ( 0.306 0.000 0.000) 0.306 6.999 ( -14.156 0.000 0.000) 14.156 7.037 ( 10.069 0.000 0.000) 10.069 7.948 ( -22.089 0.000 0.000) 22.089 8.312 ( 15.223 0.000 0.000) 15.223 10.056 ( -16.031 0.000 0.000) 16.031 10.357 ( 7.991 0.000 0.000) 7.991 11.136 ( 4.075 0.000 0.000) 4.075 11.183 ( -0.422 0.000 0.000) 0.422 15.764 ( 20.882 0.000 0.000) 20.882 15.959 ( -8.830 0.000 0.000) 8.830 16.213 ( -4.068 0.000 0.000) 4.068 16.487 ( 6.542 0.000 0.000) 6.542 19.605 ( 14.721 0.000 0.000) 14.721 20.409 ( 4.926 0.000 0.000) 4.926 22.185 ( -1.767 0.000 0.000) 1.767 22.901 ( -10.954 0.000 0.000) 10.954 27.421 ( 27.615 0.000 0.000) 27.615 28.031 ( 33.599 0.000 0.000) 33.599 31.611 ( -10.059 0.000 0.000) 10.059 31.662 ( 15.159 0.000 0.000) 15.159 32.697 ( -3.324 0.000 0.000) 3.324 33.832 ( 8.089 0.000 0.000) 8.089 48.941 ( -25.711 0.000 0.000) 25.711 49.004 ( -23.702 0.000 0.000) 23.702 79.707 ( 44.050 0.000 0.000) 44.050 81.863 ( 12.308 0.000 0.000) 12.308 83.490 ( -27.683 0.000 0.000) 27.683 83.713 ( -3.394 0.000 0.000) 3.394 107.360 ( -0.120 0.000 0.000) 0.120 107.393 ( -0.465 0.000 0.000) 0.465 109.565 ( 0.022 0.000 0.000) 0.022 109.774 ( -0.507 0.000 0.000) 0.507 ======================= Grid point 5 (6/140) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 10.548 0.000 0.000) 10.548 1.882 ( -14.265 0.000 0.000) 14.265 2.060 ( 13.490 0.000 0.000) 13.490 2.437 ( 2.639 0.000 0.000) 2.639 3.276 ( 3.428 0.000 0.000) 3.428 3.405 ( 0.293 0.000 0.000) 0.293 3.595 ( 9.489 0.000 0.000) 9.489 4.464 ( -1.920 0.000 0.000) 1.920 4.757 ( 11.475 0.000 0.000) 11.475 4.986 ( -0.937 0.000 0.000) 0.937 5.065 ( -6.634 0.000 0.000) 6.634 5.070 ( 5.338 0.000 0.000) 5.338 5.208 ( 2.155 0.000 0.000) 2.155 5.746 ( 1.116 0.000 0.000) 1.116 6.310 ( 0.689 0.000 0.000) 0.689 6.565 ( -0.614 0.000 0.000) 0.614 6.740 ( -10.943 0.000 0.000) 10.943 7.208 ( 6.958 0.000 0.000) 6.958 7.528 ( -19.544 0.000 0.000) 19.544 8.589 ( 12.842 0.000 0.000) 12.842 9.741 ( -15.304 0.000 0.000) 15.304 10.432 ( 1.377 0.000 0.000) 1.377 11.182 ( 0.172 0.000 0.000) 0.172 11.275 ( 7.867 0.000 0.000) 7.867 15.810 ( -6.031 0.000 0.000) 6.031 16.055 ( 4.770 0.000 0.000) 4.770 16.202 ( 6.456 0.000 0.000) 6.456 16.596 ( 4.385 0.000 0.000) 4.385 19.856 ( 10.349 0.000 0.000) 10.349 20.492 ( 3.348 0.000 0.000) 3.348 22.158 ( -0.970 0.000 0.000) 0.970 22.726 ( -6.764 0.000 0.000) 6.764 27.901 ( 20.143 0.000 0.000) 20.143 28.603 ( 23.584 0.000 0.000) 23.584 31.449 ( -6.290 0.000 0.000) 6.290 31.947 ( 13.393 0.000 0.000) 13.393 32.616 ( -4.854 0.000 0.000) 4.854 33.959 ( 4.822 0.000 0.000) 4.822 48.489 ( -19.157 0.000 0.000) 19.157 48.589 ( -17.508 0.000 0.000) 17.508 80.551 ( 40.922 0.000 0.000) 40.922 82.078 ( 9.083 0.000 0.000) 9.083 82.919 ( -29.940 0.000 0.000) 29.940 83.650 ( -2.824 0.000 0.000) 2.824 107.358 ( -0.082 0.000 0.000) 0.082 107.385 ( -0.322 0.000 0.000) 0.322 109.566 ( 0.017 0.000 0.000) 0.017 109.765 ( -0.352 0.000 0.000) 0.352 ======================= Grid point 6 (7/140) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -5.325 0.000 0.000) 5.325 1.930 ( 3.893 0.000 0.000) 3.893 2.246 ( 4.877 0.000 0.000) 4.877 2.477 ( 1.149 0.000 0.000) 1.149 3.280 ( -0.715 0.000 0.000) 0.715 3.449 ( 1.938 0.000 0.000) 1.938 3.717 ( 3.057 0.000 0.000) 3.057 4.446 ( -0.104 0.000 0.000) 0.104 4.856 ( -1.217 0.000 0.000) 1.217 4.986 ( 1.267 0.000 0.000) 1.267 5.028 ( 2.715 0.000 0.000) 2.715 5.058 ( -3.003 0.000 0.000) 3.003 5.320 ( 4.722 0.000 0.000) 4.722 5.742 ( -0.778 0.000 0.000) 0.778 6.332 ( 0.925 0.000 0.000) 0.925 6.519 ( -3.154 0.000 0.000) 3.154 6.629 ( -0.825 0.000 0.000) 0.825 7.232 ( -8.863 0.000 0.000) 8.863 7.302 ( 2.446 0.000 0.000) 2.446 8.798 ( 7.095 0.000 0.000) 7.095 9.492 ( -8.266 0.000 0.000) 8.266 10.447 ( 0.330 0.000 0.000) 0.330 11.186 ( 0.132 0.000 0.000) 0.132 11.390 ( 3.174 0.000 0.000) 3.174 15.729 ( -2.131 0.000 0.000) 2.131 16.059 ( -0.683 0.000 0.000) 0.683 16.349 ( 4.618 0.000 0.000) 4.618 16.655 ( 1.531 0.000 0.000) 1.531 19.997 ( 3.719 0.000 0.000) 3.719 20.537 ( 1.182 0.000 0.000) 1.182 22.146 ( -0.307 0.000 0.000) 0.307 22.636 ( -2.287 0.000 0.000) 2.287 28.179 ( 7.412 0.000 0.000) 7.412 28.926 ( 8.521 0.000 0.000) 8.521 31.366 ( -2.136 0.000 0.000) 2.136 32.163 ( 7.338 0.000 0.000) 7.338 32.517 ( -4.213 0.000 0.000) 4.213 34.022 ( 1.589 0.000 0.000) 1.589 48.223 ( -7.125 0.000 0.000) 7.125 48.347 ( -6.475 0.000 0.000) 6.475 81.262 ( 27.451 0.000 0.000) 27.451 82.204 ( 3.398 0.000 0.000) 3.398 82.357 ( -23.608 0.000 0.000) 23.608 83.609 ( -1.151 0.000 0.000) 1.151 107.357 ( -0.029 0.000 0.000) 0.029 107.380 ( -0.115 0.000 0.000) 0.115 109.566 ( 0.006 0.000 0.000) 0.006 109.760 ( -0.126 0.000 0.000) 0.126 ======================= Grid point 13 (8/140) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 19.638 0.000) 19.638 0.500 ( 0.000 24.453 0.000) 24.453 0.774 ( 0.000 37.076 0.000) 37.076 2.105 ( 0.000 -0.068 0.000) 0.068 2.508 ( 0.000 -2.716 0.000) 2.716 3.360 ( 0.000 4.627 0.000) 4.627 3.797 ( 0.000 -4.600 0.000) 4.600 3.975 ( 0.000 -4.334 0.000) 4.334 4.024 ( 0.000 -3.862 0.000) 3.862 4.302 ( 0.000 4.149 0.000) 4.149 5.018 ( 0.000 -0.331 0.000) 0.331 5.301 ( 0.000 -6.612 0.000) 6.612 5.837 ( 0.000 3.535 0.000) 3.535 6.180 ( 0.000 -0.152 0.000) 0.152 6.439 ( 0.000 -0.920 0.000) 0.920 6.454 ( 0.000 -0.125 0.000) 0.125 6.810 ( 0.000 1.084 0.000) 1.084 7.530 ( 0.000 -1.888 0.000) 1.888 7.877 ( 0.000 -4.717 0.000) 4.717 8.770 ( 0.000 0.544 0.000) 0.544 8.800 ( 0.000 1.816 0.000) 1.816 9.502 ( 0.000 -0.286 0.000) 0.286 11.381 ( 0.000 1.704 0.000) 1.704 11.758 ( 0.000 -1.418 0.000) 1.418 14.269 ( 0.000 -0.486 0.000) 0.486 15.685 ( 0.000 -1.122 0.000) 1.122 16.392 ( 0.000 -11.539 0.000) 11.539 17.506 ( 0.000 -0.519 0.000) 0.519 18.726 ( 0.000 0.741 0.000) 0.741 19.034 ( 0.000 -0.256 0.000) 0.256 22.485 ( 0.000 9.624 0.000) 9.624 23.963 ( 0.000 2.429 0.000) 2.429 25.600 ( 0.000 0.551 0.000) 0.551 25.815 ( 0.000 -0.775 0.000) 0.775 30.798 ( 0.000 0.294 0.000) 0.294 32.803 ( 0.000 0.862 0.000) 0.862 32.848 ( 0.000 -0.473 0.000) 0.473 33.197 ( 0.000 -0.399 0.000) 0.399 50.354 ( 0.000 0.110 0.000) 0.110 50.512 ( 0.000 -0.237 0.000) 0.237 77.364 ( 0.000 -0.034 0.000) 0.034 77.379 ( 0.000 -0.125 0.000) 0.125 83.917 ( 0.000 3.012 0.000) 3.012 86.269 ( 0.000 -1.266 0.000) 1.266 107.426 ( 0.000 0.435 0.000) 0.435 107.626 ( 0.000 0.052 0.000) 0.052 109.564 ( 0.000 0.041 0.000) 0.041 109.820 ( 0.000 0.281 0.000) 0.281 ======================= Grid point 14 (9/140) ======================= q-point: ( 0.08 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 14.413 14.129 0.000) 20.183 0.600 ( 12.832 15.764 0.000) 20.326 1.285 ( 38.733 20.823 0.000) 43.975 2.207 ( 9.660 -0.071 0.000) 9.661 2.481 ( -1.661 -2.553 0.000) 3.045 3.267 ( -6.449 6.398 0.000) 9.084 3.693 ( -7.737 -5.609 0.000) 9.556 4.139 ( 10.039 -3.557 0.000) 10.650 4.285 ( 13.795 -9.795 0.000) 16.919 4.309 ( 5.435 1.373 0.000) 5.606 4.937 ( -5.714 -1.392 0.000) 5.881 5.235 ( -5.260 -3.057 0.000) 6.084 5.781 ( -4.672 4.882 0.000) 6.757 5.905 ( -15.586 13.946 0.000) 20.914 6.475 ( 2.023 -0.373 0.000) 2.057 6.494 ( 4.769 -0.415 0.000) 4.787 6.731 ( -6.973 0.764 0.000) 7.015 7.403 ( 3.940 4.820 0.000) 6.226 7.654 ( -5.738 3.539 0.000) 6.742 8.821 ( -1.855 -0.639 0.000) 1.962 9.191 ( 16.149 -4.961 0.000) 16.894 10.088 ( 28.506 -31.346 0.000) 42.369 11.338 ( -3.962 1.251 0.000) 4.155 11.652 ( -9.938 -0.768 0.000) 9.968 14.423 ( 14.872 -0.546 0.000) 14.882 15.860 ( 11.955 -8.075 0.000) 14.426 16.334 ( -5.520 -10.784 0.000) 12.115 16.998 ( -23.744 21.401 0.000) 31.966 18.806 ( 7.635 1.022 0.000) 7.703 19.655 ( 28.468 -25.714 0.000) 38.362 22.450 ( -2.908 9.917 0.000) 10.335 23.801 ( -14.251 1.964 0.000) 14.385 25.933 ( 25.616 -3.172 0.000) 25.811 25.956 ( 16.123 -0.460 0.000) 16.130 30.894 ( 8.173 -1.616 0.000) 8.332 32.564 ( -21.679 4.781 0.000) 22.200 32.796 ( -0.589 0.703 0.000) 0.917 33.230 ( 8.244 6.877 0.000) 10.736 50.240 ( -11.369 0.126 0.000) 11.370 50.306 ( -15.318 4.621 0.000) 16.000 77.558 ( 19.336 0.170 0.000) 19.337 79.159 ( 99.827 -88.120 0.000) 133.156 83.900 ( -1.690 2.817 0.000) 3.285 85.598 ( -45.707 30.691 0.000) 55.055 107.416 ( -1.060 0.595 0.000) 1.216 107.506 ( -5.886 6.206 0.000) 8.553 109.564 ( 0.005 0.036 0.000) 0.037 109.811 ( -0.612 0.567 0.000) 0.834 ======================= Grid point 15 (10/140) ======================= q-point: ( 0.15 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 17.936 7.353 0.000) 19.384 0.925 ( 18.879 6.735 0.000) 20.044 2.049 ( 34.133 8.566 0.000) 35.191 2.437 ( 10.748 -1.125 0.000) 10.807 2.489 ( 6.660 0.055 0.000) 6.660 3.085 ( -12.356 3.014 0.000) 12.718 3.560 ( -4.952 -5.197 0.000) 7.178 4.287 ( 2.232 2.398 0.000) 3.276 4.383 ( 10.164 -2.040 0.000) 10.367 4.560 ( 6.018 -2.718 0.000) 6.603 4.903 ( 4.777 -7.641 0.000) 9.011 5.152 ( -2.307 0.004 0.000) 2.307 5.636 ( -10.814 12.845 0.000) 16.792 5.709 ( -4.380 1.658 0.000) 4.684 6.516 ( 1.778 -0.511 0.000) 1.850 6.586 ( -7.332 0.750 0.000) 7.371 6.626 ( 8.481 -0.541 0.000) 8.498 7.465 ( -6.680 -0.680 0.000) 6.715 7.686 ( 13.822 3.754 0.000) 14.323 8.658 ( -13.479 -2.927 0.000) 13.793 9.602 ( 24.120 -0.785 0.000) 24.132 10.345 ( 1.893 -17.718 0.000) 17.819 11.248 ( -4.506 -0.304 0.000) 4.517 11.412 ( -13.176 -0.108 0.000) 13.177 14.811 ( 23.352 -0.632 0.000) 23.360 16.046 ( 4.436 -9.938 0.000) 10.883 16.218 ( -3.188 -7.316 0.000) 7.981 16.675 ( -11.733 14.728 0.000) 18.830 19.015 ( 13.093 0.887 0.000) 13.124 20.022 ( 12.565 -14.500 0.000) 19.187 22.384 ( -3.552 9.277 0.000) 9.934 23.482 ( -16.831 1.509 0.000) 16.899 26.329 ( 23.892 -0.325 0.000) 23.894 26.580 ( 35.975 -1.457 0.000) 36.005 31.094 ( 12.024 -1.143 0.000) 12.079 32.177 ( -17.451 3.965 0.000) 17.896 32.780 ( -1.086 0.426 0.000) 1.167 33.442 ( 11.774 3.715 0.000) 12.346 49.921 ( -20.492 0.114 0.000) 20.492 49.954 ( -20.710 2.707 0.000) 20.886 78.095 ( 34.175 0.622 0.000) 34.181 80.517 ( 45.844 -62.081 0.000) 77.173 83.852 ( -3.060 2.140 0.000) 3.734 84.818 ( -34.245 25.704 0.000) 42.819 107.391 ( -1.162 1.173 0.000) 1.651 107.442 ( -1.707 3.200 0.000) 3.627 109.565 ( 0.013 0.027 0.000) 0.030 109.799 ( -0.608 0.386 0.000) 0.721 ======================= Grid point 16 (11/140) ======================= q-point: ( 0.23 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 17.182 4.714 0.000) 17.817 1.318 ( 20.417 1.549 0.000) 20.476 2.342 ( 1.612 -0.142 0.000) 1.618 2.619 ( -6.710 5.371 0.000) 8.595 2.803 ( 19.221 -4.084 0.000) 19.650 2.950 ( 12.620 3.405 0.000) 13.071 3.489 ( -2.998 -4.165 0.000) 5.132 4.340 ( 4.517 1.155 0.000) 4.662 4.541 ( 0.223 -1.733 0.000) 1.747 4.625 ( 8.628 0.100 0.000) 8.629 5.050 ( 5.632 -4.244 0.000) 7.052 5.152 ( 1.839 0.149 0.000) 1.845 5.434 ( -9.043 7.328 0.000) 11.640 5.656 ( -0.701 1.060 0.000) 1.271 6.440 ( -6.368 1.279 0.000) 6.495 6.554 ( 1.460 0.206 0.000) 1.474 6.815 ( 10.257 -1.071 0.000) 10.313 7.269 ( -11.917 0.313 0.000) 11.921 7.995 ( 15.035 0.605 0.000) 15.047 8.335 ( -18.031 -2.847 0.000) 18.254 10.044 ( 17.032 -2.664 0.000) 17.239 10.271 ( -6.251 -6.712 0.000) 9.171 11.167 ( -5.236 -0.921 0.000) 5.316 11.202 ( -4.934 -0.265 0.000) 4.942 15.297 ( 24.988 -0.644 0.000) 24.996 15.958 ( -8.696 -13.129 0.000) 15.748 16.301 ( 6.804 -1.539 0.000) 6.976 16.488 ( -7.229 9.117 0.000) 11.635 19.300 ( 15.240 0.128 0.000) 15.240 20.226 ( 8.889 -6.943 0.000) 11.279 22.317 ( -3.142 8.409 0.000) 8.977 23.168 ( -14.596 1.311 0.000) 14.655 26.858 ( 28.891 0.100 0.000) 28.891 27.314 ( 37.657 -0.564 0.000) 37.661 31.360 ( 14.694 -0.541 0.000) 14.704 31.869 ( -13.862 2.441 0.000) 14.076 32.751 ( -1.970 0.312 0.000) 1.995 33.664 ( 10.413 1.954 0.000) 10.595 49.458 ( -25.779 -0.022 0.000) 25.779 49.500 ( -24.758 1.442 0.000) 24.800 78.859 ( 42.278 1.002 0.000) 42.289 81.204 ( 27.252 -34.152 0.000) 43.692 83.780 ( -4.390 1.049 0.000) 4.514 84.192 ( -30.263 14.138 0.000) 33.402 107.374 ( -0.534 0.826 0.000) 0.983 107.416 ( -1.108 1.389 0.000) 1.777 109.565 ( 0.017 0.016 0.000) 0.024 109.787 ( -0.637 0.218 0.000) 0.673 ======================= Grid point 17 (12/140) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 14.605 3.390 0.000) 14.994 1.707 ( 18.585 -1.227 0.000) 18.626 2.245 ( -13.791 1.518 0.000) 13.874 2.451 ( -1.069 6.006 0.000) 6.100 3.081 ( 12.168 -3.605 0.000) 12.691 3.325 ( 13.772 -0.159 0.000) 13.773 3.437 ( -0.187 -1.749 0.000) 1.759 4.483 ( 7.208 -3.480 0.000) 8.005 4.508 ( 0.853 0.980 0.000) 1.299 4.835 ( 11.029 -1.307 0.000) 11.106 5.075 ( -2.061 1.046 0.000) 2.311 5.155 ( -2.601 0.067 0.000) 2.602 5.294 ( -5.299 3.191 0.000) 6.186 5.690 ( 3.419 -0.336 0.000) 3.435 6.344 ( -3.103 1.649 0.000) 3.514 6.578 ( 0.898 1.104 0.000) 1.424 6.964 ( -5.208 -2.194 0.000) 5.651 7.063 ( 0.898 1.369 0.000) 1.637 7.901 ( -20.267 -4.101 0.000) 20.678 8.327 ( 13.481 1.046 0.000) 13.521 9.986 ( -13.483 -6.045 0.000) 14.777 10.362 ( 6.512 0.078 0.000) 6.513 11.136 ( 3.569 0.005 0.000) 3.569 11.174 ( 0.595 -0.781 0.000) 0.982 15.739 ( 10.612 -5.269 0.000) 11.848 15.806 ( 2.312 -8.424 0.000) 8.736 16.311 ( -4.888 6.016 0.000) 7.751 16.487 ( 5.941 0.079 0.000) 5.942 19.591 ( 13.791 -1.314 0.000) 13.854 20.383 ( 7.052 -2.341 0.000) 7.430 22.263 ( -2.337 7.413 0.000) 7.773 22.917 ( -10.814 1.417 0.000) 10.906 27.426 ( 27.787 0.467 0.000) 27.791 28.025 ( 33.527 -0.492 0.000) 33.530 31.625 ( -7.168 1.234 0.000) 7.274 31.665 ( 12.196 0.372 0.000) 12.202 32.700 ( -3.275 0.336 0.000) 3.293 33.844 ( 7.745 1.101 0.000) 7.823 48.941 ( -25.666 0.036 0.000) 25.666 49.011 ( -24.044 0.659 0.000) 24.053 79.718 ( 44.033 1.106 0.000) 44.047 81.655 ( 19.187 -18.574 0.000) 26.704 83.552 ( -27.570 4.845 0.000) 27.992 83.735 ( -7.520 2.039 0.000) 7.791 107.367 ( -0.287 0.553 0.000) 0.623 107.397 ( -0.826 0.426 0.000) 0.930 109.565 ( 0.018 0.006 0.000) 0.018 109.775 ( -0.568 0.091 0.000) 0.575 ======================= Grid point 18 (13/140) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 9.290 2.689 0.000) 9.672 1.972 ( -10.411 7.724 0.000) 12.963 2.026 ( 12.396 -2.866 0.000) 12.724 2.484 ( 2.559 4.183 0.000) 4.904 3.267 ( 4.792 -0.904 0.000) 4.877 3.358 ( 0.615 -4.060 0.000) 4.106 3.599 ( 8.331 0.117 0.000) 8.331 4.462 ( -1.500 -0.294 0.000) 1.529 4.713 ( 10.591 -4.134 0.000) 11.369 4.991 ( 0.682 -2.682 0.000) 2.767 5.016 ( -2.387 1.535 0.000) 2.838 5.117 ( 2.532 0.395 0.000) 2.562 5.209 ( -3.123 0.804 0.000) 3.225 5.744 ( 1.355 -0.365 0.000) 1.403 6.317 ( 0.009 0.815 0.000) 0.815 6.587 ( -0.334 2.157 0.000) 2.182 6.733 ( -10.912 -0.573 0.000) 10.927 7.195 ( 6.037 -1.220 0.000) 6.159 7.518 ( -17.074 -0.852 0.000) 17.095 8.578 ( 11.595 -1.122 0.000) 11.650 9.708 ( -13.703 -2.921 0.000) 14.011 10.419 ( 0.794 -1.330 0.000) 1.549 11.170 ( 0.506 -0.996 0.000) 1.117 11.287 ( 7.845 0.966 0.000) 7.904 15.638 ( -5.695 -13.308 0.000) 14.476 16.100 ( 10.313 1.516 0.000) 10.424 16.242 ( 0.221 3.610 0.000) 3.617 16.596 ( 4.543 0.002 0.000) 4.543 19.823 ( 9.384 -3.042 0.000) 9.865 20.501 ( 4.831 0.856 0.000) 4.907 22.225 ( -1.492 6.355 0.000) 6.528 22.746 ( -6.510 1.840 0.000) 6.765 27.910 ( 20.262 0.754 0.000) 20.276 28.595 ( 23.400 -0.798 0.000) 23.414 31.465 ( -6.354 1.468 0.000) 6.521 31.949 ( 13.471 0.128 0.000) 13.472 32.621 ( -4.762 0.467 0.000) 4.784 33.966 ( 4.658 0.672 0.000) 4.706 48.490 ( -19.132 0.093 0.000) 19.133 48.591 ( -17.677 0.220 0.000) 17.679 80.561 ( 40.831 0.973 0.000) 40.842 81.967 ( 12.481 -10.144 0.000) 16.084 82.953 ( -31.228 2.813 0.000) 31.355 83.641 ( -3.625 -0.826 0.000) 3.718 107.362 ( -0.256 0.313 0.000) 0.404 107.384 ( -0.425 -0.037 0.000) 0.426 109.566 ( 0.013 -0.002 0.000) 0.013 109.765 ( -0.391 -0.000 0.000) 0.391 ======================= Grid point 19 (14/140) ======================= q-point: ( 0.46 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -3.881 10.619 0.000) 11.306 1.963 ( 3.435 3.085 0.000) 4.617 2.200 ( 4.539 -3.743 0.000) 5.883 2.525 ( 1.265 4.031 0.000) 4.225 3.271 ( -0.839 -0.844 0.000) 1.190 3.425 ( 2.692 -2.198 0.000) 3.475 3.708 ( 2.757 -0.935 0.000) 2.912 4.446 ( -0.141 0.085 0.000) 0.164 4.821 ( -0.191 -3.604 0.000) 3.609 4.977 ( 2.401 -3.583 0.000) 4.313 5.015 ( 1.031 2.105 0.000) 2.344 5.095 ( -3.703 2.774 0.000) 4.626 5.252 ( 3.469 -6.414 0.000) 7.292 5.747 ( -0.410 0.323 0.000) 0.522 6.325 ( 0.333 -0.433 0.000) 0.546 6.526 ( -3.783 0.584 0.000) 3.828 6.638 ( -0.274 0.888 0.000) 0.929 7.212 ( -4.688 -1.190 0.000) 4.837 7.330 ( -0.533 2.101 0.000) 2.168 8.762 ( 5.945 -3.488 0.000) 6.892 9.490 ( -7.003 -0.161 0.000) 7.005 10.426 ( 0.158 -2.001 0.000) 2.007 11.177 ( 0.216 -0.735 0.000) 0.766 11.402 ( 3.179 1.056 0.000) 3.349 15.560 ( -2.037 -13.302 0.000) 13.457 16.141 ( -0.722 5.139 0.000) 5.190 16.344 ( 4.450 -0.432 0.000) 4.471 16.658 ( 1.599 0.230 0.000) 1.615 19.950 ( 3.286 -4.245 0.000) 5.369 20.567 ( 1.761 2.646 0.000) 3.179 22.205 ( -0.534 5.590 0.000) 5.616 22.661 ( -2.149 2.276 0.000) 3.130 28.189 ( 7.455 0.916 0.000) 7.511 28.914 ( 8.430 -1.090 0.000) 8.500 31.381 ( -2.148 1.407 0.000) 2.568 32.165 ( 7.303 0.169 0.000) 7.305 32.524 ( -4.104 0.668 0.000) 4.158 34.027 ( 1.538 0.482 0.000) 1.612 48.225 ( -7.117 0.125 0.000) 7.118 48.347 ( -6.528 0.019 0.000) 6.528 81.269 ( 27.365 0.806 0.000) 27.377 82.139 ( 4.948 -5.888 0.000) 7.691 82.372 ( -24.429 1.088 0.000) 24.454 83.589 ( -1.454 -1.850 0.000) 2.353 107.358 ( -0.126 0.032 0.000) 0.130 107.379 ( -0.105 -0.084 0.000) 0.134 109.566 ( 0.005 -0.007 0.000) 0.008 109.760 ( -0.139 -0.049 0.000) 0.147 ======================= Grid point 26 (15/140) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 16.755 0.000) 16.755 0.972 ( 0.000 22.255 0.000) 22.255 1.460 ( 0.000 30.388 0.000) 30.388 2.094 ( 0.000 -1.340 0.000) 1.340 2.447 ( 0.000 -2.971 0.000) 2.971 3.407 ( 0.000 -1.637 0.000) 1.637 3.744 ( 0.000 0.762 0.000) 0.762 3.859 ( 0.000 -6.656 0.000) 6.656 3.925 ( 0.000 -5.598 0.000) 5.598 4.384 ( 0.000 3.362 0.000) 3.362 5.012 ( 0.000 -0.209 0.000) 0.209 5.163 ( 0.000 -6.356 0.000) 6.356 5.914 ( 0.000 4.349 0.000) 4.349 6.177 ( 0.000 -0.155 0.000) 0.155 6.411 ( 0.000 -1.878 0.000) 1.878 6.450 ( 0.000 -0.231 0.000) 0.231 6.830 ( 0.000 0.392 0.000) 0.392 7.472 ( 0.000 -3.685 0.000) 3.685 7.767 ( 0.000 -5.386 0.000) 5.386 8.791 ( 0.000 1.342 0.000) 1.342 8.839 ( 0.000 1.932 0.000) 1.932 9.493 ( 0.000 -0.623 0.000) 0.623 11.426 ( 0.000 2.605 0.000) 2.605 11.718 ( 0.000 -2.432 0.000) 2.432 14.256 ( 0.000 -0.688 0.000) 0.688 15.656 ( 0.000 -1.567 0.000) 1.567 16.118 ( 0.000 -14.188 0.000) 14.188 17.479 ( 0.000 -1.999 0.000) 1.999 18.745 ( 0.000 1.019 0.000) 1.019 19.028 ( 0.000 -0.353 0.000) 0.353 22.728 ( 0.000 13.323 0.000) 13.323 24.020 ( 0.000 2.877 0.000) 2.877 25.616 ( 0.000 0.942 0.000) 0.942 25.793 ( 0.000 -1.255 0.000) 1.255 30.805 ( 0.000 0.414 0.000) 0.414 32.826 ( 0.000 1.269 0.000) 1.269 32.836 ( 0.000 -0.669 0.000) 0.669 33.187 ( 0.000 -0.609 0.000) 0.609 50.356 ( 0.000 0.150 0.000) 0.150 50.506 ( 0.000 -0.335 0.000) 0.335 77.363 ( 0.000 -0.037 0.000) 0.037 77.376 ( 0.000 -0.188 0.000) 0.188 83.994 ( 0.000 4.314 0.000) 4.314 86.236 ( 0.000 -1.853 0.000) 1.853 107.437 ( 0.000 0.596 0.000) 0.596 107.627 ( 0.000 0.086 0.000) 0.086 109.566 ( 0.000 0.065 0.000) 0.065 109.827 ( 0.000 0.393 0.000) 0.393 ======================= Grid point 27 (16/140) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 9.083 14.621 0.000) 17.213 0.999 ( 3.417 21.811 0.000) 22.077 1.719 ( 23.211 19.710 0.000) 30.450 2.197 ( 9.702 -0.846 0.000) 9.738 2.429 ( -1.060 -2.468 0.000) 2.686 3.362 ( -4.760 1.455 0.000) 4.977 3.572 ( -11.212 -4.631 0.000) 12.131 4.055 ( 14.987 -5.424 0.000) 15.938 4.109 ( 14.687 -5.398 0.000) 15.648 4.381 ( 0.278 3.151 0.000) 3.163 4.931 ( -6.734 0.564 0.000) 6.758 5.143 ( -1.534 -4.905 0.000) 5.139 5.862 ( -4.806 3.727 0.000) 6.082 6.067 ( -10.203 3.581 0.000) 10.813 6.466 ( 2.635 -0.653 0.000) 2.715 6.475 ( 4.418 -1.299 0.000) 4.605 6.748 ( -6.865 0.766 0.000) 6.908 7.462 ( 2.765 1.533 0.000) 3.162 7.692 ( -4.319 -0.905 0.000) 4.413 8.796 ( -5.642 -1.638 0.000) 5.875 9.100 ( 22.648 -2.862 0.000) 22.828 9.704 ( 17.724 -9.944 0.000) 20.324 11.375 ( -4.869 2.247 0.000) 5.362 11.623 ( -9.063 -1.933 0.000) 9.267 14.409 ( 14.746 -0.772 0.000) 14.767 15.756 ( 8.227 -3.697 0.000) 9.019 16.077 ( -3.502 -13.148 0.000) 13.606 17.244 ( -18.071 5.475 0.000) 18.882 18.831 ( 7.898 1.290 0.000) 8.003 19.315 ( 22.488 -9.980 0.000) 24.603 22.695 ( -3.069 13.327 0.000) 13.676 23.846 ( -15.164 2.138 0.000) 15.314 25.902 ( 22.831 -0.389 0.000) 22.834 25.948 ( 18.316 -0.391 0.000) 18.321 30.880 ( 7.320 -0.103 0.000) 7.320 32.608 ( -17.912 0.714 0.000) 17.926 32.817 ( -0.898 1.180 0.000) 1.483 33.311 ( 9.408 1.893 0.000) 9.596 50.243 ( -11.359 0.140 0.000) 11.360 50.360 ( -13.757 1.269 0.000) 13.816 77.565 ( 19.989 0.478 0.000) 19.995 78.146 ( 65.008 -25.676 0.000) 69.894 83.973 ( -2.159 4.070 0.000) 4.607 85.897 ( -30.760 5.668 0.000) 31.278 107.428 ( -0.883 0.602 0.000) 1.069 107.580 ( -3.847 1.903 0.000) 4.292 109.566 ( -0.004 0.060 0.000) 0.060 109.821 ( -0.566 0.463 0.000) 0.731 ======================= Grid point 28 (17/140) ======================= q-point: ( 0.15 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 12.875 11.410 0.000) 17.203 1.132 ( 10.673 13.342 0.000) 17.086 2.211 ( 20.253 5.464 0.000) 20.977 2.394 ( 8.472 -3.139 0.000) 9.035 2.499 ( 12.769 1.255 0.000) 12.830 3.175 ( -13.054 5.825 0.000) 14.294 3.424 ( -3.565 -7.740 0.000) 8.521 4.310 ( 3.140 -3.590 0.000) 4.770 4.345 ( 12.522 1.224 0.000) 12.582 4.510 ( 12.702 -1.297 0.000) 12.768 4.824 ( -1.217 -0.628 0.000) 1.369 5.127 ( 0.371 -2.320 0.000) 2.350 5.744 ( -7.366 1.829 0.000) 7.590 5.831 ( -11.999 5.670 0.000) 13.271 6.505 ( 1.875 -0.419 0.000) 1.921 6.594 ( 1.723 -0.226 0.000) 1.738 6.631 ( 0.469 1.471 0.000) 1.544 7.459 ( -6.677 -0.063 0.000) 6.677 7.753 ( 12.064 2.166 0.000) 12.257 8.587 ( -14.915 -3.586 0.000) 15.340 9.581 ( 25.053 -1.237 0.000) 25.083 9.997 ( 9.675 -14.641 0.000) 17.549 11.258 ( -6.275 1.076 0.000) 6.367 11.400 ( -12.348 -0.934 0.000) 12.383 14.795 ( 23.289 -0.882 0.000) 23.305 15.834 ( -3.967 -11.297 0.000) 11.973 16.081 ( 7.026 -5.306 0.000) 8.805 16.904 ( -15.526 7.740 0.000) 17.348 19.037 ( 12.509 1.166 0.000) 12.563 19.737 ( 19.215 -12.148 0.000) 22.733 22.620 ( -4.288 13.034 0.000) 13.721 23.512 ( -17.350 1.180 0.000) 17.390 26.318 ( 24.520 -0.700 0.000) 24.530 26.566 ( 36.528 0.052 0.000) 36.528 31.077 ( 12.301 -0.483 0.000) 12.311 32.244 ( -17.942 2.430 0.000) 18.105 32.794 ( -1.392 0.853 0.000) 1.633 33.510 ( 10.372 2.635 0.000) 10.702 49.923 ( -20.579 0.121 0.000) 20.580 50.004 ( -21.684 1.969 0.000) 21.773 78.116 ( 34.951 1.559 0.000) 34.985 79.451 ( 61.324 -40.618 0.000) 73.556 83.911 ( -3.991 3.376 0.000) 5.227 85.187 ( -38.540 11.352 0.000) 40.177 107.407 ( -1.101 0.631 0.000) 1.270 107.507 ( -3.308 2.654 0.000) 4.241 109.565 ( -0.002 0.046 0.000) 0.046 109.808 ( -0.769 0.424 0.000) 0.878 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.23 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 14.218 5.665 0.000) 15.305 1.406 ( 15.286 7.241 0.000) 16.914 2.329 ( -0.295 -1.356 0.000) 1.387 2.663 ( 5.070 -6.467 0.000) 8.217 2.749 ( 9.400 3.982 0.000) 10.209 3.064 ( 10.149 7.369 0.000) 12.543 3.380 ( -1.517 -6.090 0.000) 6.276 4.332 ( 1.566 -2.337 0.000) 2.814 4.560 ( 2.640 4.118 0.000) 4.891 4.619 ( 6.910 -0.648 0.000) 6.940 4.973 ( 10.623 -2.698 0.000) 10.961 5.163 ( 2.922 -0.404 0.000) 2.950 5.536 ( -12.069 2.820 0.000) 12.394 5.679 ( -3.760 0.857 0.000) 3.857 6.483 ( -4.867 2.811 0.000) 5.620 6.563 ( 1.835 0.680 0.000) 1.957 6.793 ( 9.558 -0.993 0.000) 9.610 7.275 ( -10.902 0.131 0.000) 10.903 8.016 ( 10.134 1.368 0.000) 10.226 8.255 ( -15.269 -4.738 0.000) 15.987 9.956 ( 5.014 -5.833 0.000) 7.692 10.139 ( 11.534 -5.325 0.000) 12.704 11.154 ( -4.110 -0.231 0.000) 4.117 11.195 ( -6.628 -0.437 0.000) 6.642 15.281 ( 25.002 -0.879 0.000) 25.017 15.684 ( -9.130 -13.391 0.000) 16.208 16.267 ( 9.771 -1.668 0.000) 9.913 16.639 ( -11.409 5.581 0.000) 12.701 19.300 ( 13.682 -0.122 0.000) 13.683 20.070 ( 14.881 -7.536 0.000) 16.680 22.535 ( -4.188 12.326 0.000) 13.019 23.193 ( -14.699 0.709 0.000) 14.716 26.859 ( 29.446 -0.065 0.000) 29.446 27.307 ( 37.784 -0.029 0.000) 37.784 31.350 ( 15.088 -0.342 0.000) 15.092 31.922 ( -14.579 2.456 0.000) 14.784 32.760 ( -2.076 0.587 0.000) 2.157 33.707 ( 9.350 2.025 0.000) 9.567 49.459 ( -25.810 0.071 0.000) 25.810 49.531 ( -25.660 1.449 0.000) 25.701 78.892 ( 42.662 2.367 0.000) 42.728 80.488 ( 44.339 -33.227 0.000) 55.408 83.818 ( -5.508 2.372 0.000) 5.998 84.436 ( -37.195 9.176 0.000) 38.310 107.388 ( -0.734 0.549 0.000) 0.916 107.451 ( -2.449 1.779 0.000) 3.027 109.565 ( 0.002 0.028 0.000) 0.028 109.792 ( -0.804 0.277 0.000) 0.850 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 14.134 2.940 0.000) 14.436 1.704 ( 14.636 2.351 0.000) 14.823 2.271 ( -5.653 0.794 0.000) 5.709 2.587 ( -2.748 6.104 0.000) 6.694 3.007 ( 12.996 -2.538 0.000) 13.241 3.306 ( 2.548 -2.011 0.000) 3.246 3.403 ( 9.396 -1.227 0.000) 9.476 4.391 ( 4.004 -5.141 0.000) 6.517 4.549 ( 0.342 2.851 0.000) 2.872 4.800 ( 8.484 -1.968 0.000) 8.710 5.077 ( -0.012 0.172 0.000) 0.172 5.198 ( -0.811 2.349 0.000) 2.486 5.328 ( -8.200 0.420 0.000) 8.211 5.671 ( 2.496 -1.626 0.000) 2.978 6.395 ( -3.623 3.160 0.000) 4.808 6.607 ( 2.300 1.538 0.000) 2.767 6.934 ( -1.091 -0.434 0.000) 1.174 7.081 ( -3.278 0.458 0.000) 3.310 7.808 ( -18.477 -4.626 0.000) 19.047 8.337 ( 11.645 -0.262 0.000) 11.648 9.854 ( -9.954 -6.194 0.000) 11.724 10.350 ( 5.389 -1.275 0.000) 5.538 11.135 ( 1.416 -0.194 0.000) 1.430 11.158 ( 3.515 -0.591 0.000) 3.565 15.499 ( -8.205 -13.294 0.000) 15.622 15.754 ( 21.305 -0.994 0.000) 21.328 16.400 ( -1.498 2.722 0.000) 3.107 16.492 ( 1.521 0.411 0.000) 1.576 19.555 ( 11.726 -2.145 0.000) 11.920 20.330 ( 11.562 -2.532 0.000) 11.836 22.457 ( -3.733 11.087 0.000) 11.699 22.944 ( -10.348 0.911 0.000) 10.388 27.437 ( 28.263 0.535 0.000) 28.268 28.015 ( 33.145 -0.405 0.000) 33.148 31.648 ( 7.813 0.711 0.000) 7.845 31.682 ( -2.823 1.399 0.000) 3.151 32.709 ( -3.186 0.551 0.000) 3.233 33.870 ( 7.100 1.355 0.000) 7.229 48.943 ( -25.606 0.075 0.000) 25.606 49.027 ( -24.699 0.788 0.000) 24.711 79.754 ( 43.929 2.490 0.000) 43.999 81.223 ( 30.928 -22.073 0.000) 37.997 83.643 ( -22.005 3.944 0.000) 22.356 83.782 ( -19.351 2.191 0.000) 19.475 107.378 ( -0.393 0.434 0.000) 0.586 107.409 ( -1.788 0.741 0.000) 1.936 109.566 ( 0.004 0.011 0.000) 0.011 109.777 ( -0.706 0.120 0.000) 0.716 ======================= Grid point 31 (20/140) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 9.920 4.068 0.000) 10.722 1.964 ( 11.148 -2.474 0.000) 11.419 2.154 ( -4.990 9.349 0.000) 10.598 2.589 ( 1.592 5.927 0.000) 6.137 3.235 ( 9.868 -2.687 0.000) 10.227 3.279 ( -2.165 -2.483 0.000) 3.295 3.590 ( 7.014 -1.241 0.000) 7.123 4.444 ( 1.024 -2.181 0.000) 2.409 4.613 ( 5.354 -4.600 0.000) 7.058 4.923 ( 2.882 -4.649 0.000) 5.470 5.027 ( -2.725 -0.544 0.000) 2.779 5.138 ( -3.373 2.567 0.000) 4.239 5.226 ( -3.322 0.480 0.000) 3.357 5.725 ( 2.007 -1.568 0.000) 2.547 6.344 ( -1.586 1.746 0.000) 2.359 6.645 ( 1.245 3.007 0.000) 3.254 6.729 ( -12.285 0.689 0.000) 12.305 7.165 ( 4.874 -1.525 0.000) 5.107 7.498 ( -11.853 -1.058 0.000) 11.900 8.541 ( 8.777 -2.517 0.000) 9.130 9.645 ( -10.186 -2.812 0.000) 10.567 10.380 ( -0.448 -2.446 0.000) 2.487 11.150 ( 0.758 -0.862 0.000) 1.148 11.306 ( 8.254 0.784 0.000) 8.292 15.357 ( -5.801 -13.543 0.000) 14.733 16.108 ( 13.563 -0.273 0.000) 13.566 16.308 ( -3.682 2.373 0.000) 4.380 16.595 ( 4.982 -0.123 0.000) 4.983 19.749 ( 7.701 -3.967 0.000) 8.663 20.521 ( 7.692 1.046 0.000) 7.762 22.390 ( -2.947 9.297 0.000) 9.753 22.787 ( -5.662 1.908 0.000) 5.975 27.928 ( 20.601 1.027 0.000) 20.626 28.575 ( 22.875 -1.033 0.000) 22.898 31.502 ( -6.485 1.968 0.000) 6.777 31.952 ( 13.653 0.218 0.000) 13.655 32.633 ( -4.533 0.725 0.000) 4.591 33.983 ( 4.306 0.890 0.000) 4.397 48.493 ( -19.074 0.136 0.000) 19.074 48.596 ( -18.059 0.278 0.000) 18.061 80.592 ( 40.532 2.140 0.000) 40.589 81.719 ( 19.517 -13.371 0.000) 23.658 83.011 ( -33.692 2.606 0.000) 33.792 83.620 ( -5.312 -1.162 0.000) 5.438 107.369 ( -0.589 0.388 0.000) 0.705 107.383 ( -0.709 -0.052 0.000) 0.711 109.566 ( 0.004 -0.002 0.000) 0.005 109.765 ( -0.482 -0.003 0.000) 0.482 ======================= Grid point 32 (21/140) ======================= q-point: ( 0.46 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.186 4.913 0.000) 6.454 2.086 ( -1.910 14.310 0.000) 14.437 2.121 ( 4.035 -3.439 0.000) 5.302 2.617 ( 0.890 4.844 0.000) 4.925 3.247 ( -0.859 -1.544 0.000) 1.767 3.376 ( 3.855 -2.186 0.000) 4.432 3.680 ( 2.316 -1.888 0.000) 2.988 4.453 ( 0.263 0.693 0.000) 0.741 4.687 ( 1.308 -9.688 0.000) 9.776 4.918 ( -0.681 -1.841 0.000) 1.963 5.035 ( 2.297 -3.600 0.000) 4.271 5.093 ( -2.003 -4.984 0.000) 5.372 5.172 ( -1.858 4.108 0.000) 4.509 5.746 ( 0.340 -0.689 0.000) 0.769 6.324 ( -0.642 0.323 0.000) 0.719 6.537 ( -5.248 0.453 0.000) 5.267 6.669 ( 0.450 2.194 0.000) 2.240 7.199 ( -0.802 -0.001 0.000) 0.802 7.372 ( -1.571 1.972 0.000) 2.521 8.669 ( 3.683 -5.335 0.000) 6.483 9.491 ( -4.514 0.455 0.000) 4.537 10.370 ( -0.288 -3.396 0.000) 3.408 11.161 ( 0.337 -0.710 0.000) 0.785 11.425 ( 3.264 1.073 0.000) 3.436 15.278 ( -2.048 -13.560 0.000) 13.714 16.216 ( -0.458 2.204 0.000) 2.251 16.334 ( 3.973 -0.554 0.000) 4.012 16.663 ( 1.754 0.224 0.000) 1.769 19.852 ( 2.662 -4.948 0.000) 5.619 20.625 ( 2.734 2.807 0.000) 3.919 22.348 ( -1.181 7.873 0.000) 7.961 22.716 ( -1.714 2.896 0.000) 3.365 28.213 ( 7.580 1.314 0.000) 7.693 28.886 ( 8.187 -1.524 0.000) 8.328 31.416 ( -2.178 1.891 0.000) 2.884 32.170 ( 7.210 0.265 0.000) 7.215 32.542 ( -3.829 1.026 0.000) 3.964 34.039 ( 1.423 0.653 0.000) 1.566 48.228 ( -7.093 0.185 0.000) 7.095 48.347 ( -6.654 0.010 0.000) 6.654 81.296 ( 27.277 1.929 0.000) 27.345 81.991 ( 8.330 -8.329 0.000) 11.780 82.391 ( -26.204 0.765 0.000) 26.216 83.543 ( -2.215 -2.521 0.000) 3.356 107.358 ( -0.359 -0.013 0.000) 0.359 107.378 ( -0.074 -0.075 0.000) 0.106 109.566 ( 0.002 -0.009 0.000) 0.010 109.759 ( -0.171 -0.070 0.000) 0.185 ======================= Grid point 39 (22/140) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 10.354 0.000) 10.354 1.373 ( 0.000 16.816 0.000) 16.816 1.959 ( 0.000 18.407 0.000) 18.407 2.040 ( 0.000 -4.101 0.000) 4.101 2.393 ( 0.000 -2.447 0.000) 2.447 3.324 ( 0.000 -4.692 0.000) 4.692 3.735 ( 0.000 -4.977 0.000) 4.977 3.798 ( 0.000 3.012 0.000) 3.012 3.820 ( 0.000 -4.246 0.000) 4.246 4.422 ( 0.000 0.540 0.000) 0.540 5.010 ( 0.000 -0.143 0.000) 0.143 5.066 ( 0.000 -2.979 0.000) 2.979 6.025 ( 0.000 6.682 0.000) 6.682 6.174 ( 0.000 -0.076 0.000) 0.076 6.358 ( 0.000 -3.552 0.000) 3.552 6.446 ( 0.000 -0.193 0.000) 0.193 6.805 ( 0.000 -2.744 0.000) 2.744 7.409 ( 0.000 -1.867 0.000) 1.867 7.681 ( 0.000 -3.028 0.000) 3.028 8.817 ( 0.000 1.093 0.000) 1.093 8.872 ( 0.000 1.179 0.000) 1.179 9.479 ( 0.000 -0.638 0.000) 0.638 11.479 ( 0.000 2.466 0.000) 2.466 11.666 ( 0.000 -2.499 0.000) 2.499 14.244 ( 0.000 -0.488 0.000) 0.488 15.628 ( 0.000 -1.095 0.000) 1.095 15.875 ( 0.000 -9.071 0.000) 9.071 17.437 ( 0.000 -1.838 0.000) 1.838 18.763 ( 0.000 0.698 0.000) 0.698 19.022 ( 0.000 -0.242 0.000) 0.242 22.968 ( 0.000 9.419 0.000) 9.419 24.066 ( 0.000 1.519 0.000) 1.519 25.635 ( 0.000 0.899 0.000) 0.899 25.768 ( 0.000 -1.117 0.000) 1.117 30.813 ( 0.000 0.291 0.000) 0.291 32.824 ( 0.000 -0.474 0.000) 0.474 32.849 ( 0.000 0.944 0.000) 0.944 33.175 ( 0.000 -0.474 0.000) 0.474 50.359 ( 0.000 0.102 0.000) 0.102 50.500 ( 0.000 -0.238 0.000) 0.238 77.363 ( 0.000 -0.010 0.000) 0.010 77.372 ( 0.000 -0.149 0.000) 0.149 84.073 ( 0.000 3.097 0.000) 3.097 86.202 ( 0.000 -1.363 0.000) 1.363 107.448 ( 0.000 0.408 0.000) 0.408 107.629 ( 0.000 0.070 0.000) 0.070 109.567 ( 0.000 0.051 0.000) 0.051 109.835 ( 0.000 0.275 0.000) 0.275 ======================= Grid point 40 (23/140) ======================= q-point: ( 0.08 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 6.735 9.598 0.000) 11.725 1.426 ( 2.259 19.839 0.000) 19.967 1.949 ( 6.342 -0.207 0.000) 6.345 2.223 ( 12.195 5.479 0.000) 13.369 2.385 ( 0.047 -1.912 0.000) 1.912 3.302 ( -1.539 -5.045 0.000) 5.275 3.555 ( -13.369 1.524 0.000) 13.455 3.935 ( 16.341 -5.225 0.000) 17.156 4.057 ( 14.402 -0.875 0.000) 14.429 4.421 ( 0.378 0.820 0.000) 0.903 4.953 ( -4.957 1.344 0.000) 5.136 5.060 ( -0.451 -3.140 0.000) 3.172 5.943 ( -7.011 4.536 0.000) 8.350 6.092 ( -8.476 -0.842 0.000) 8.518 6.436 ( 6.672 -1.711 0.000) 6.888 6.462 ( 1.569 -0.236 0.000) 1.587 6.757 ( -3.903 0.114 0.000) 3.905 7.483 ( 6.747 0.756 0.000) 6.789 7.634 ( -3.468 -3.612 0.000) 5.007 8.772 ( -6.981 -0.553 0.000) 7.003 9.077 ( 20.120 -0.006 0.000) 20.120 9.583 ( 9.642 -3.381 0.000) 10.218 11.422 ( -5.536 2.194 0.000) 5.955 11.580 ( -8.192 -2.093 0.000) 8.455 14.395 ( 14.626 -0.545 0.000) 14.636 15.687 ( 3.031 -3.365 0.000) 4.529 15.863 ( 1.144 -7.054 0.000) 7.146 17.292 ( -12.953 0.504 0.000) 12.963 18.853 ( 8.269 0.837 0.000) 8.311 19.190 ( 15.547 -3.401 0.000) 15.914 22.937 ( -3.002 9.531 0.000) 9.992 23.876 ( -16.366 0.835 0.000) 16.387 25.901 ( 17.349 0.057 0.000) 17.349 25.942 ( 23.760 -0.130 0.000) 23.761 30.882 ( 6.866 0.136 0.000) 6.867 32.613 ( -16.216 0.004 0.000) 16.216 32.838 ( -1.072 0.865 0.000) 1.377 33.330 ( 11.066 0.306 0.000) 11.071 50.245 ( -11.373 0.094 0.000) 11.374 50.373 ( -12.475 0.259 0.000) 12.478 77.578 ( 21.255 0.804 0.000) 21.270 77.835 ( 43.232 -8.410 0.000) 44.043 84.047 ( -2.597 2.924 0.000) 3.911 85.949 ( -24.338 0.775 0.000) 24.351 107.438 ( -0.874 0.410 0.000) 0.966 107.603 ( -2.440 0.579 0.000) 2.507 109.567 ( -0.014 0.048 0.000) 0.049 109.829 ( -0.539 0.285 0.000) 0.610 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.15 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 11.246 8.227 0.000) 13.934 1.432 ( 0.443 15.027 0.000) 15.034 2.199 ( 14.294 -6.496 0.000) 15.701 2.341 ( 1.890 -1.214 0.000) 2.246 2.546 ( 14.935 2.660 0.000) 15.170 3.277 ( -1.094 -5.704 0.000) 5.808 3.300 ( -10.717 5.283 0.000) 11.949 4.225 ( 7.820 -3.721 0.000) 8.660 4.361 ( 15.051 0.214 0.000) 15.053 4.512 ( 11.653 0.702 0.000) 11.674 4.859 ( -3.129 3.650 0.000) 4.807 5.062 ( 1.070 -4.018 0.000) 4.158 5.782 ( -9.120 2.121 0.000) 9.364 5.874 ( -12.207 -0.675 0.000) 12.226 6.500 ( 2.201 -0.167 0.000) 2.207 6.588 ( 8.128 -0.165 0.000) 8.130 6.675 ( -3.985 2.473 0.000) 4.690 7.453 ( -8.196 -0.605 0.000) 8.218 7.764 ( 14.375 -0.592 0.000) 14.387 8.535 ( -16.611 -1.395 0.000) 16.670 9.557 ( 26.144 -0.966 0.000) 26.161 9.784 ( 8.953 -6.664 0.000) 11.161 11.285 ( -7.537 1.443 0.000) 7.674 11.377 ( -11.379 -1.234 0.000) 11.446 14.779 ( 23.242 -0.615 0.000) 23.250 15.627 ( -7.403 -8.082 0.000) 10.960 16.009 ( 11.349 -2.196 0.000) 11.560 17.000 ( -15.489 2.356 0.000) 15.668 19.057 ( 11.770 0.739 0.000) 11.793 19.558 ( 20.321 -5.705 0.000) 21.107 22.862 ( -4.348 9.851 0.000) 10.768 23.520 ( -18.367 -0.355 0.000) 18.370 26.305 ( 24.989 -0.508 0.000) 24.994 26.575 ( 36.350 0.580 0.000) 36.355 31.073 ( 12.175 -0.074 0.000) 12.175 32.276 ( -17.129 0.928 0.000) 17.154 32.810 ( -1.699 0.684 0.000) 1.831 33.546 ( 10.542 1.016 0.000) 10.591 49.925 ( -20.604 0.081 0.000) 20.605 50.031 ( -21.567 0.796 0.000) 21.581 78.157 ( 36.278 2.353 0.000) 36.354 78.869 ( 56.968 -18.603 0.000) 59.929 83.973 ( -4.773 2.454 0.000) 5.367 85.325 ( -36.937 3.513 0.000) 37.103 107.417 ( -1.139 0.396 0.000) 1.205 107.544 ( -3.310 1.102 0.000) 3.488 109.566 ( -0.018 0.037 0.000) 0.041 109.815 ( -0.855 0.262 0.000) 0.895 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.23 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 6.739 6.786 0.000) 9.564 1.554 ( 12.454 6.314 0.000) 13.963 2.284 ( -0.857 -3.055 0.000) 3.173 2.521 ( 10.283 -5.832 0.000) 11.822 2.819 ( 11.305 2.202 0.000) 11.517 3.204 ( 2.662 4.795 0.000) 5.484 3.273 ( 0.694 -3.283 0.000) 3.356 4.274 ( 0.490 -2.614 0.000) 2.660 4.603 ( 7.315 -0.700 0.000) 7.348 4.675 ( 2.427 6.031 0.000) 6.501 4.949 ( 11.445 0.519 0.000) 11.457 5.115 ( 4.390 -4.319 0.000) 6.159 5.570 ( -12.155 0.984 0.000) 12.194 5.679 ( -6.551 -0.727 0.000) 6.591 6.536 ( -0.463 1.920 0.000) 1.975 6.585 ( -1.664 1.492 0.000) 2.235 6.780 ( 9.642 -0.235 0.000) 9.645 7.272 ( -9.713 -0.433 0.000) 9.722 8.044 ( 8.576 1.256 0.000) 8.667 8.164 ( -15.754 -3.823 0.000) 16.212 9.846 ( 0.033 -4.275 0.000) 4.276 10.064 ( 20.098 -2.375 0.000) 20.238 11.157 ( -4.840 0.488 0.000) 4.864 11.184 ( -6.580 -0.612 0.000) 6.608 15.265 ( 25.040 -0.565 0.000) 25.046 15.455 ( -9.283 -8.543 0.000) 12.615 16.239 ( 11.364 -0.964 0.000) 11.404 16.713 ( -13.211 1.995 0.000) 13.361 19.295 ( 11.966 -0.348 0.000) 11.971 19.951 ( 19.011 -4.012 0.000) 19.429 22.773 ( -4.573 10.342 0.000) 11.308 23.184 ( -15.256 -1.570 0.000) 15.337 26.856 ( 30.014 -0.141 0.000) 30.015 27.312 ( 37.450 0.333 0.000) 37.452 31.346 ( 15.265 -0.086 0.000) 15.265 31.961 ( -14.599 1.324 0.000) 14.659 32.772 ( -2.241 0.488 0.000) 2.294 33.739 ( 8.938 1.072 0.000) 9.002 49.460 ( -25.839 0.063 0.000) 25.839 49.554 ( -26.095 0.769 0.000) 26.106 78.952 ( 43.133 3.244 0.000) 43.255 79.949 ( 50.931 -19.406 0.000) 54.502 83.863 ( -6.386 1.813 0.000) 6.639 84.560 ( -39.590 3.598 0.000) 39.753 107.397 ( -0.864 0.319 0.000) 0.921 107.479 ( -3.160 0.957 0.000) 3.302 109.566 ( -0.016 0.023 0.000) 0.028 109.797 ( -0.941 0.180 0.000) 0.958 ======================= Grid point 43 (26/140) ======================= q-point: ( 0.31 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 11.157 0.761 0.000) 11.183 1.796 ( 11.459 4.718 0.000) 12.392 2.273 ( 0.447 -0.500 0.000) 0.670 2.648 ( 3.755 0.201 0.000) 3.760 3.014 ( 9.449 2.411 0.000) 9.752 3.260 ( 0.639 -1.650 0.000) 1.769 3.385 ( 9.638 -0.815 0.000) 9.672 4.294 ( 1.939 -3.951 0.000) 4.401 4.615 ( -1.571 3.527 0.000) 3.860 4.759 ( 3.438 -2.223 0.000) 4.094 5.093 ( 1.185 1.296 0.000) 1.756 5.199 ( 3.251 -2.039 0.000) 3.837 5.345 ( -10.056 1.452 0.000) 10.161 5.630 ( 1.507 -2.133 0.000) 2.612 6.458 ( -4.708 2.791 0.000) 5.473 6.627 ( 3.204 0.258 0.000) 3.215 6.949 ( 4.490 1.624 0.000) 4.774 7.083 ( -7.422 -0.195 0.000) 7.425 7.731 ( -17.965 -2.844 0.000) 18.189 8.319 ( 10.601 -1.210 0.000) 10.669 9.759 ( -7.333 -3.066 0.000) 7.948 10.319 ( 5.016 -1.478 0.000) 5.229 11.127 ( -0.365 -0.396 0.000) 0.539 11.153 ( 5.596 -0.006 0.000) 5.596 15.272 ( -8.500 -8.383 0.000) 11.938 15.738 ( 21.836 -0.572 0.000) 21.843 16.432 ( 5.562 0.818 0.000) 5.621 16.498 ( -6.104 0.006 0.000) 6.104 19.514 ( 10.000 -1.668 0.000) 10.138 20.291 ( 15.195 -1.305 0.000) 15.251 22.678 ( -5.295 10.225 0.000) 11.515 22.936 ( -9.581 -2.069 0.000) 9.802 27.446 ( 28.806 0.295 0.000) 28.808 28.010 ( 32.542 -0.111 0.000) 32.542 31.656 ( 14.997 0.243 0.000) 14.999 31.711 ( -9.901 1.157 0.000) 9.968 32.720 ( -3.123 0.439 0.000) 3.154 33.893 ( 6.665 0.839 0.000) 6.717 48.944 ( -25.574 0.062 0.000) 25.574 49.040 ( -25.188 0.476 0.000) 25.192 79.814 ( 43.591 3.136 0.000) 43.704 80.838 ( 38.980 -14.841 0.000) 41.709 83.710 ( -14.299 2.606 0.000) 14.534 83.809 ( -31.099 0.488 0.000) 31.102 107.384 ( -0.475 0.212 0.000) 0.520 107.422 ( -2.552 0.497 0.000) 2.600 109.566 ( -0.011 0.009 0.000) 0.014 109.779 ( -0.834 0.080 0.000) 0.838 ======================= Grid point 44 (27/140) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 10.614 -1.773 0.000) 10.761 1.989 ( 7.837 3.112 0.000) 8.432 2.314 ( 3.616 6.003 0.000) 7.008 2.701 ( 1.586 4.449 0.000) 4.724 3.176 ( 5.513 -2.345 0.000) 5.991 3.277 ( 2.425 2.131 0.000) 3.228 3.546 ( 6.176 -3.126 0.000) 6.922 4.353 ( 3.811 -5.700 0.000) 6.857 4.582 ( -2.110 1.501 0.000) 2.590 4.802 ( 1.615 -6.760 0.000) 6.950 5.020 ( -6.221 -0.173 0.000) 6.223 5.181 ( -6.723 0.970 0.000) 6.793 5.248 ( 1.526 2.134 0.000) 2.624 5.684 ( 2.655 -2.240 0.000) 3.473 6.378 ( -3.274 1.353 0.000) 3.542 6.676 ( 0.795 0.352 0.000) 0.869 6.779 ( -12.647 3.368 0.000) 13.088 7.139 ( 5.421 -0.968 0.000) 5.506 7.480 ( -7.384 -0.629 0.000) 7.411 8.486 ( 6.326 -2.574 0.000) 6.830 9.607 ( -7.101 -0.944 0.000) 7.163 10.330 ( -1.637 -2.202 0.000) 2.744 11.137 ( 0.868 -0.433 0.000) 0.970 11.317 ( 8.693 0.349 0.000) 8.700 15.130 ( -5.767 -8.315 0.000) 10.119 16.100 ( 14.250 -0.342 0.000) 14.254 16.336 ( -5.068 0.651 0.000) 5.110 16.592 ( 5.537 -0.177 0.000) 5.540 19.679 ( 6.605 -2.607 0.000) 7.101 20.539 ( 9.849 0.670 0.000) 9.872 22.568 ( -5.304 7.678 0.000) 9.332 22.808 ( -3.858 -0.013 0.000) 3.858 27.947 ( 21.012 0.695 0.000) 21.024 28.557 ( 22.237 -0.666 0.000) 22.247 31.536 ( -6.594 1.320 0.000) 6.725 31.956 ( 13.830 0.178 0.000) 13.831 32.647 ( -4.295 0.559 0.000) 4.331 33.998 ( 4.008 0.591 0.000) 4.052 48.495 ( -19.014 0.099 0.000) 19.015 48.601 ( -18.407 0.174 0.000) 18.407 80.643 ( 40.057 2.589 0.000) 40.141 81.475 ( 25.474 -9.814 0.000) 27.299 83.051 ( -35.675 1.373 0.000) 35.701 83.599 ( -6.674 -0.822 0.000) 6.724 107.376 ( -0.703 0.261 0.000) 0.750 107.382 ( -1.150 -0.057 0.000) 1.152 109.566 ( -0.006 -0.001 0.000) 0.006 109.765 ( -0.571 -0.004 0.000) 0.571 ======================= Grid point 45 (28/140) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 4.466 -2.080 0.000) 4.926 2.094 ( 2.722 1.766 0.000) 3.244 2.389 ( 2.824 12.787 0.000) 13.095 2.709 ( -0.374 3.937 0.000) 3.955 3.213 ( 0.161 -1.608 0.000) 1.616 3.355 ( 3.039 0.410 0.000) 3.067 3.631 ( 2.417 -2.949 0.000) 3.813 4.435 ( 4.237 -6.640 0.000) 7.877 4.523 ( -3.707 -0.697 0.000) 3.772 4.839 ( 2.016 -8.788 0.000) 9.017 4.913 ( -3.755 -1.306 0.000) 3.976 5.077 ( -3.358 -0.031 0.000) 3.359 5.263 ( 0.241 4.228 0.000) 4.234 5.719 ( 0.888 -1.726 0.000) 1.941 6.333 ( -1.265 0.399 0.000) 1.327 6.545 ( -6.312 0.337 0.000) 6.321 6.717 ( 0.427 2.177 0.000) 2.218 7.208 ( 1.571 0.652 0.000) 1.701 7.406 ( -1.246 1.292 0.000) 1.795 8.569 ( 2.099 -4.074 0.000) 4.583 9.507 ( -2.709 0.915 0.000) 2.859 10.302 ( -0.805 -2.960 0.000) 3.067 11.151 ( 0.408 -0.358 0.000) 0.543 11.442 ( 3.389 0.555 0.000) 3.434 15.052 ( -2.026 -8.253 0.000) 8.498 16.238 ( -0.229 0.381 0.000) 0.444 16.324 ( 3.563 -0.390 0.000) 3.584 16.666 ( 1.904 0.090 0.000) 1.906 19.768 ( 2.309 -3.049 0.000) 3.824 20.671 ( 3.424 1.621 0.000) 3.788 22.492 ( -2.121 5.727 0.000) 6.107 22.764 ( -0.976 1.653 0.000) 1.920 28.237 ( 7.738 0.945 0.000) 7.795 28.859 ( 7.908 -1.071 0.000) 7.981 31.450 ( -2.211 1.268 0.000) 2.548 32.175 ( 7.111 0.204 0.000) 7.114 32.561 ( -3.543 0.784 0.000) 3.628 34.051 ( 1.317 0.443 0.000) 1.390 48.231 ( -7.065 0.138 0.000) 7.067 48.347 ( -6.777 -0.005 0.000) 6.777 81.345 ( 27.738 2.663 0.000) 27.866 81.829 ( 10.281 -7.020 0.000) 12.448 82.403 ( -27.152 0.383 0.000) 27.155 83.498 ( -3.010 -1.720 0.000) 3.466 107.357 ( -0.569 -0.050 0.000) 0.571 107.377 ( -0.054 -0.023 0.000) 0.059 109.565 ( -0.002 -0.007 0.000) 0.007 109.757 ( -0.203 -0.050 0.000) 0.209 ======================= Grid point 52 (29/140) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 0.000 0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 15.780 ( 0.000 0.000 0.000) 0.000 17.417 ( 0.000 0.000 0.000) 0.000 18.771 ( 0.000 0.000 0.000) 0.000 19.019 ( 0.000 0.000 0.000) 0.000 23.069 ( 0.000 0.000 0.000) 0.000 24.081 ( 0.000 0.000 0.000) 0.000 25.646 ( 0.000 0.000 0.000) 0.000 25.755 ( 0.000 0.000 0.000) 0.000 30.816 ( 0.000 0.000 0.000) 0.000 32.819 ( 0.000 0.000 0.000) 0.000 32.859 ( 0.000 0.000 0.000) 0.000 33.170 ( 0.000 0.000 0.000) 0.000 50.360 ( 0.000 0.000 0.000) 0.000 50.497 ( 0.000 0.000 0.000) 0.000 77.362 ( 0.000 0.000 0.000) 0.000 77.371 ( 0.000 0.000 0.000) 0.000 84.106 ( 0.000 0.000 0.000) 0.000 86.188 ( 0.000 0.000 0.000) 0.000 107.452 ( 0.000 0.000 0.000) 0.000 107.630 ( 0.000 0.000 0.000) 0.000 109.567 ( 0.000 0.000 0.000) 0.000 109.837 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 54 (30/140) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.126 0.000 0.000) 6.126 1.741 ( 15.301 0.000 0.000) 15.301 1.812 ( -10.827 -0.000 0.000) 10.827 2.321 ( 11.737 -0.000 0.000) 11.737 2.348 ( -0.915 0.000 0.000) 0.915 3.242 ( -1.965 0.000 0.000) 1.965 3.578 ( -11.834 0.000 0.000) 11.834 3.876 ( 16.922 -0.000 0.000) 16.922 4.051 ( 14.539 0.000 0.000) 14.539 4.426 ( 0.737 0.000 0.000) 0.737 4.970 ( -2.823 0.000 0.000) 2.823 5.026 ( -1.486 0.000 0.000) 1.486 6.031 ( -8.724 -0.000 0.000) 8.724 6.043 ( -9.495 0.000 0.000) 9.495 6.416 ( 8.273 0.000 0.000) 8.273 6.460 ( 1.504 0.000 0.000) 1.504 6.757 ( -1.191 0.000 0.000) 1.191 7.492 ( 9.784 0.000 0.000) 9.784 7.591 ( -5.686 0.000 0.000) 5.686 8.768 ( -7.241 -0.000 0.000) 7.241 9.080 ( 18.701 0.000 0.000) 18.701 9.550 ( 7.578 -0.000 0.000) 7.578 11.449 ( -5.848 0.000 0.000) 5.848 11.554 ( -7.757 0.000 0.000) 7.757 14.389 ( 14.578 0.000 0.000) 14.578 15.644 ( -0.831 0.000 0.000) 0.831 15.798 ( 4.888 0.000 0.000) 4.888 17.294 ( -11.441 0.000 0.000) 11.441 18.862 ( 8.432 0.000 0.000) 8.432 19.158 ( 13.387 0.000 0.000) 13.387 23.039 ( -2.820 0.000 0.000) 2.820 23.883 ( -17.029 0.000 0.000) 17.029 25.902 ( 14.480 -0.000 0.000) 14.480 25.942 ( 26.752 0.000 0.000) 26.752 30.883 ( 6.744 -0.000 0.000) 6.744 32.613 ( -15.762 0.000 0.000) 15.762 32.848 ( -1.133 0.000 0.000) 1.133 33.332 ( 11.567 0.000 0.000) 11.567 50.246 ( -11.380 -0.000 0.000) 11.380 50.375 ( -12.110 -0.000 0.000) 12.110 77.589 ( 22.264 0.000 0.000) 22.264 77.753 ( 36.678 -0.000 0.000) 36.678 84.078 ( -2.778 0.000 0.000) 2.778 85.954 ( -22.714 -0.000 0.000) 22.714 107.443 ( -0.873 0.000 0.000) 0.873 107.608 ( -2.076 0.000 0.000) 2.076 109.567 ( -0.018 0.000 0.000) 0.018 109.832 ( -0.538 0.000 0.000) 0.538 ======================= Grid point 56 (31/140) ======================= q-point: ( 0.15 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 10.669 0.000 0.000) 10.669 1.628 ( -6.820 0.000 0.000) 6.820 2.085 ( 16.854 -0.000 0.000) 16.854 2.331 ( 0.038 0.000 0.000) 0.038 2.576 ( 13.682 0.000 0.000) 13.682 3.212 ( -0.927 0.000 0.000) 0.927 3.362 ( -8.671 0.000 0.000) 8.671 4.184 ( 9.201 -0.000 0.000) 9.201 4.362 ( 15.631 0.000 0.000) 15.631 4.519 ( 11.521 -0.000 0.000) 11.521 4.929 ( -0.329 0.000 0.000) 0.329 4.991 ( -1.621 0.000 0.000) 1.621 5.827 ( -12.214 -0.000 0.000) 12.214 5.838 ( -9.888 0.000 0.000) 9.888 6.498 ( 2.338 0.000 0.000) 2.338 6.587 ( 9.123 -0.000 0.000) 9.123 6.706 ( -3.969 0.000 0.000) 3.969 7.443 ( -8.792 -0.000 0.000) 8.792 7.754 ( 15.625 0.000 0.000) 15.625 8.524 ( -17.246 0.000 0.000) 17.246 9.547 ( 26.589 0.000 0.000) 26.589 9.719 ( 7.774 -0.000 0.000) 7.774 11.304 ( -8.012 0.000 0.000) 8.012 11.361 ( -10.925 0.000 0.000) 10.925 14.772 ( 23.229 0.000 0.000) 23.229 15.542 ( -7.934 0.000 0.000) 7.934 15.987 ( 12.156 0.000 0.000) 12.156 17.020 ( -15.159 0.000 0.000) 15.159 19.065 ( 11.394 0.000 0.000) 11.394 19.502 ( 20.296 0.000 0.000) 20.296 22.969 ( -3.898 0.000 0.000) 3.898 23.512 ( -19.241 0.000 0.000) 19.241 26.300 ( 25.123 0.000 0.000) 25.123 26.581 ( 36.284 0.000 0.000) 36.284 31.072 ( 12.108 -0.000 0.000) 12.108 32.285 ( -16.747 0.000 0.000) 16.747 32.818 ( -1.816 0.000 0.000) 1.816 33.555 ( 10.750 0.000 0.000) 10.750 49.926 ( -20.612 -0.000 0.000) 20.612 50.039 ( -21.427 -0.000 0.000) 21.427 78.189 ( 37.153 0.000 0.000) 37.153 78.680 ( 53.712 -0.000 0.000) 53.712 83.999 ( -5.085 0.000 0.000) 5.085 85.357 ( -36.135 -0.000 0.000) 36.135 107.421 ( -1.162 0.000 0.000) 1.162 107.555 ( -3.205 0.000 0.000) 3.205 109.567 ( -0.026 0.000 0.000) 0.026 109.818 ( -0.885 0.000 0.000) 0.885 ======================= Grid point 58 (32/140) ======================= q-point: ( 0.23 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.488 0.000 0.000) 1.488 1.622 ( 12.054 0.000 0.000) 12.054 2.239 ( 0.447 -0.000 0.000) 0.447 2.462 ( 11.264 -0.000 0.000) 11.264 2.839 ( 12.417 0.000 0.000) 12.417 3.210 ( 0.882 0.000 0.000) 0.882 3.284 ( 1.114 0.000 0.000) 1.114 4.246 ( 0.275 0.000 0.000) 0.275 4.595 ( 6.917 0.000 0.000) 6.917 4.746 ( 4.687 -0.000 0.000) 4.687 4.998 ( 7.583 -0.000 0.000) 7.583 5.019 ( 6.493 0.000 0.000) 6.493 5.581 ( -12.221 -0.000 0.000) 12.221 5.668 ( -6.851 0.000 0.000) 6.851 6.554 ( 3.339 0.000 0.000) 3.339 6.605 ( -5.702 -0.000 0.000) 5.702 6.779 ( 10.000 0.000 0.000) 10.000 7.265 ( -8.978 -0.000 0.000) 8.978 8.059 ( 14.475 0.000 0.000) 14.475 8.121 ( -22.520 -0.000 0.000) 22.520 9.802 ( -0.007 -0.000 0.000) 0.007 10.040 ( 21.228 0.000 0.000) 21.228 11.170 ( -6.897 0.000 0.000) 6.897 11.171 ( -4.782 -0.000 0.000) 4.782 15.260 ( 25.274 -0.000 0.000) 25.274 15.365 ( -9.489 0.000 0.000) 9.489 16.230 ( 11.878 0.000 0.000) 11.878 16.731 ( -13.667 0.000 0.000) 13.667 19.291 ( 11.236 0.000 0.000) 11.236 19.911 ( 20.355 0.000 0.000) 20.355 22.895 ( -3.476 0.000 0.000) 3.476 23.155 ( -16.699 -0.000 0.000) 16.699 26.854 ( 30.236 0.000 0.000) 30.236 27.316 ( 37.252 0.000 0.000) 37.252 31.346 ( 15.308 -0.000 0.000) 15.308 31.974 ( -14.504 0.000 0.000) 14.504 32.777 ( -2.317 0.000 0.000) 2.317 33.749 ( 8.883 0.000 0.000) 8.883 49.461 ( -25.847 -0.000 0.000) 25.847 49.562 ( -26.193 -0.000 0.000) 26.193 78.993 ( 43.275 0.000 0.000) 43.275 79.745 ( 52.220 -0.000 0.000) 52.220 83.882 ( -6.724 0.000 0.000) 6.724 84.594 ( -40.089 -0.000 0.000) 40.089 107.400 ( -0.922 0.000 0.000) 0.922 107.489 ( -3.335 0.000 0.000) 3.335 109.566 ( -0.024 0.000 0.000) 0.024 109.799 ( -0.993 0.000 0.000) 0.993 ======================= Grid point 60 (33/140) ======================= q-point: ( 0.31 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 8.573 0.000 0.000) 8.573 1.849 ( 10.570 0.000 0.000) 10.570 2.264 ( 3.325 -0.000 0.000) 3.325 2.643 ( 7.110 -0.000 0.000) 7.110 3.043 ( 7.940 0.000 0.000) 7.940 3.251 ( 3.270 0.000 0.000) 3.270 3.372 ( 6.340 0.000 0.000) 6.340 4.251 ( 0.806 -0.000 0.000) 0.806 4.668 ( 1.926 0.000 0.000) 1.926 4.721 ( -4.180 -0.000 0.000) 4.180 5.115 ( -0.617 -0.000 0.000) 0.617 5.165 ( 7.413 0.000 0.000) 7.413 5.364 ( -9.540 -0.000 0.000) 9.540 5.605 ( 0.924 0.000 0.000) 0.924 6.490 ( -5.671 0.000 0.000) 5.671 6.626 ( 3.684 -0.000 0.000) 3.684 6.972 ( 9.211 -0.000 0.000) 9.211 7.079 ( -10.950 0.000 0.000) 10.950 7.701 ( -17.950 0.000 0.000) 17.950 8.304 ( 10.155 0.000 0.000) 10.155 9.730 ( -6.297 0.000 0.000) 6.297 10.302 ( 4.889 0.000 0.000) 4.889 11.123 ( -0.429 0.000 0.000) 0.429 11.154 ( 5.684 0.000 0.000) 5.684 15.185 ( -8.467 0.000 0.000) 8.467 15.732 ( 21.942 0.000 0.000) 21.942 16.440 ( 9.295 0.000 0.000) 9.295 16.496 ( -9.993 -0.000 0.000) 9.993 19.496 ( 9.397 0.000 0.000) 9.397 20.278 ( 16.453 0.000 0.000) 16.453 22.836 ( -2.464 0.000 0.000) 2.464 22.864 ( -12.706 -0.000 0.000) 12.706 27.449 ( 29.043 0.000 0.000) 29.043 28.009 ( 32.244 0.000 0.000) 32.244 31.659 ( 16.026 -0.000 0.000) 16.026 31.723 ( -10.854 0.000 0.000) 10.854 32.725 ( -3.102 0.000 0.000) 3.102 33.902 ( 6.533 0.000 0.000) 6.533 48.945 ( -25.563 -0.000 0.000) 25.563 49.045 ( -25.354 -0.000 0.000) 25.354 79.853 ( 43.245 0.000 0.000) 43.245 80.679 ( 41.780 -0.000 0.000) 41.780 83.739 ( -7.623 0.000 0.000) 7.623 83.810 ( -39.101 -0.000 0.000) 39.101 107.386 ( -0.526 0.000 0.000) 0.526 107.428 ( -2.799 0.000 0.000) 2.799 109.566 ( -0.018 0.000 0.000) 0.018 109.780 ( -0.886 0.000 0.000) 0.886 ======================= Grid point 62 (34/140) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 9.980 0.000 0.000) 9.980 2.023 ( 6.883 0.000 0.000) 6.883 2.378 ( 7.682 -0.000 0.000) 7.682 2.746 ( 3.067 0.000 0.000) 3.067 3.152 ( 3.507 0.000 0.000) 3.507 3.325 ( 3.544 0.000 0.000) 3.544 3.493 ( 5.685 -0.000 0.000) 5.685 4.284 ( 2.472 -0.000 0.000) 2.472 4.631 ( -4.489 0.000 0.000) 4.489 4.698 ( 1.277 0.000 0.000) 1.277 5.018 ( -6.950 -0.000 0.000) 6.950 5.188 ( -6.698 0.000 0.000) 6.698 5.279 ( 2.554 0.000 0.000) 2.554 5.656 ( 2.878 -0.000 0.000) 2.878 6.392 ( -4.061 0.000 0.000) 4.061 6.678 ( 0.367 0.000 0.000) 0.367 6.818 ( -13.123 0.000 0.000) 13.123 7.129 ( 6.424 0.000 0.000) 6.424 7.474 ( -5.673 0.000 0.000) 5.673 8.457 ( 5.459 0.000 0.000) 5.459 9.600 ( -5.941 0.000 0.000) 5.941 10.305 ( -2.162 0.000 0.000) 2.162 11.132 ( 0.912 0.000 0.000) 0.912 11.321 ( 8.850 0.000 0.000) 8.850 15.043 ( -5.713 0.000 0.000) 5.713 16.097 ( 14.405 0.000 0.000) 14.405 16.342 ( -5.535 0.000 0.000) 5.535 16.590 ( 5.806 0.000 0.000) 5.806 19.652 ( 6.265 0.000 0.000) 6.265 20.546 ( 10.594 0.000 0.000) 10.594 22.659 ( -7.967 0.000 0.000) 7.967 22.798 ( -1.407 -0.000 0.000) 1.407 27.954 ( 21.205 0.000 0.000) 21.205 28.550 ( 21.941 0.000 0.000) 21.941 31.550 ( -6.636 0.000 0.000) 6.636 31.958 ( 13.903 -0.000 0.000) 13.903 32.653 ( -4.193 0.000 0.000) 4.193 34.005 ( 3.900 0.000 0.000) 3.900 48.496 ( -18.989 0.000 0.000) 18.989 48.603 ( -18.541 0.000 0.000) 18.541 80.674 ( 39.766 0.000 0.000) 39.766 81.368 ( 27.755 -0.000 0.000) 27.755 83.065 ( -36.427 0.000 0.000) 36.427 83.591 ( -7.145 0.000 0.000) 7.145 107.379 ( -0.222 0.000 0.000) 0.222 107.381 ( -1.846 0.000 0.000) 1.846 109.566 ( -0.010 0.000 0.000) 0.010 109.765 ( -0.607 0.000 0.000) 0.607 ======================= Grid point 64 (35/140) ======================= q-point: ( 0.46 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.505 0.000 0.000) 4.505 2.114 ( 2.320 0.000 0.000) 2.320 2.528 ( 6.006 -0.000 0.000) 6.006 2.754 ( -1.579 0.000 0.000) 1.579 3.194 ( 1.008 0.000 0.000) 1.008 3.373 ( 1.241 0.000 0.000) 1.241 3.587 ( 3.091 -0.000 0.000) 3.091 4.335 ( 1.973 -0.000 0.000) 1.973 4.559 ( -2.345 0.000 0.000) 2.345 4.717 ( 0.566 0.000 0.000) 0.566 4.906 ( -3.429 -0.000 0.000) 3.429 5.076 ( -3.577 0.000 0.000) 3.577 5.312 ( 0.767 0.000 0.000) 0.767 5.696 ( 1.088 -0.000 0.000) 1.088 6.337 ( -1.465 0.000 0.000) 1.465 6.549 ( -6.682 0.000 0.000) 6.682 6.741 ( 0.349 0.000 0.000) 0.349 7.216 ( 2.299 0.000 0.000) 2.299 7.419 ( -0.950 0.000 0.000) 0.950 8.525 ( 1.628 0.000 0.000) 1.628 9.518 ( -2.120 0.000 0.000) 2.120 10.269 ( -1.055 0.000 0.000) 1.055 11.147 ( 0.432 0.000 0.000) 0.432 11.447 ( 3.444 0.000 0.000) 3.444 14.966 ( -2.003 0.000 0.000) 2.003 16.241 ( -0.223 0.000 0.000) 0.223 16.320 ( 3.487 0.000 0.000) 3.487 16.667 ( 1.964 0.000 0.000) 1.964 19.737 ( 2.204 0.000 0.000) 2.204 20.688 ( 3.662 0.000 0.000) 3.662 22.553 ( -2.725 0.000 0.000) 2.725 22.780 ( -0.452 0.000 0.000) 0.452 28.247 ( 7.814 0.000 0.000) 7.814 28.847 ( 7.781 0.000 0.000) 7.781 31.463 ( -2.225 0.000 0.000) 2.225 32.177 ( 7.068 0.000 0.000) 7.068 32.570 ( -3.421 0.000 0.000) 3.421 34.055 ( 1.276 0.000 0.000) 1.276 48.233 ( -7.053 0.000 0.000) 7.053 48.347 ( -6.828 0.000 0.000) 6.828 81.379 ( 28.652 0.000 0.000) 28.652 81.748 ( 10.195 -0.000 0.000) 10.195 82.407 ( -27.392 -0.000 0.000) 27.392 83.480 ( -3.346 0.000 0.000) 3.346 107.356 ( -0.644 0.000 0.000) 0.644 107.376 ( -0.054 0.000 0.000) 0.054 109.565 ( -0.003 0.000 0.000) 0.003 109.757 ( -0.216 0.000 0.000) 0.216 ======================= Grid point 117 (36/140) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 0.000 20.235) 20.235 0.460 ( 0.000 0.000 21.751) 21.751 0.757 ( 0.000 0.000 34.165) 34.165 2.056 ( 0.000 0.000 -4.704) 4.704 2.526 ( 0.000 0.000 -5.366) 5.366 3.160 ( 0.000 0.000 -3.206) 3.206 3.859 ( 0.000 0.000 -0.350) 0.350 4.016 ( 0.000 0.000 -0.360) 0.360 4.052 ( 0.000 0.000 -1.135) 1.135 4.472 ( 0.000 0.000 -12.757) 12.757 5.231 ( 0.000 0.000 0.788) 0.788 5.275 ( 0.000 0.000 4.461) 4.461 5.641 ( 0.000 0.000 -0.379) 0.379 5.826 ( 0.000 0.000 2.131) 2.131 6.198 ( 0.000 0.000 1.535) 1.535 6.445 ( 0.000 0.000 -0.952) 0.952 6.788 ( 0.000 0.000 1.788) 1.788 7.620 ( 0.000 0.000 -4.023) 4.023 8.533 ( 0.000 0.000 5.434) 5.434 8.770 ( 0.000 0.000 -0.221) 0.221 8.770 ( 0.000 0.000 -0.193) 0.193 9.167 ( 0.000 0.000 -1.698) 1.698 11.419 ( 0.000 0.000 2.374) 2.374 11.745 ( 0.000 0.000 -1.102) 1.102 14.340 ( 0.000 0.000 6.246) 6.246 15.623 ( 0.000 0.000 -6.952) 6.952 16.547 ( 0.000 0.000 2.184) 2.184 17.036 ( 0.000 0.000 -2.921) 2.921 18.734 ( 0.000 0.000 1.420) 1.420 19.019 ( 0.000 0.000 -1.695) 1.695 22.446 ( 0.000 0.000 7.839) 7.839 23.893 ( 0.000 0.000 -7.059) 7.059 25.615 ( 0.000 0.000 1.847) 1.847 25.819 ( 0.000 0.000 -0.363) 0.363 30.901 ( 0.000 0.000 10.017) 10.017 32.708 ( 0.000 0.000 0.802) 0.802 32.755 ( 0.000 0.000 -9.176) 9.176 33.071 ( 0.000 0.000 -2.924) 2.924 50.329 ( 0.000 0.000 0.891) 0.891 50.458 ( 0.000 0.000 -0.441) 0.441 77.364 ( 0.000 0.000 -0.006) 0.006 77.379 ( 0.000 0.000 -0.158) 0.158 84.707 ( 0.000 0.000 -0.050) 0.050 84.759 ( 0.000 0.000 -0.574) 0.574 107.370 ( 0.000 0.000 0.208) 0.208 107.445 ( 0.000 0.000 -0.583) 0.583 109.678 ( 0.000 0.000 0.617) 0.617 109.798 ( 0.000 0.000 -0.629) 0.629 ======================= Grid point 118 (37/140) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 10.903 0.000 14.375) 18.042 0.600 ( 15.222 0.000 13.984) 20.670 1.279 ( 40.110 0.000 19.186) 44.463 2.160 ( 9.966 0.000 -4.392) 10.891 2.488 ( -2.431 0.000 -3.305) 4.102 3.143 ( -2.005 0.000 -2.830) 3.468 3.759 ( -7.858 0.000 -0.020) 7.858 4.119 ( 3.856 0.000 -7.004) 7.995 4.174 ( 9.899 0.000 -1.194) 9.970 4.448 ( 2.662 0.000 -7.597) 8.049 5.182 ( -4.176 0.000 0.685) 4.232 5.190 ( -3.966 0.000 9.368) 10.173 5.578 ( -5.752 0.000 -0.163) 5.755 5.703 ( -4.481 0.000 -2.092) 4.945 6.479 ( 2.944 0.000 -0.098) 2.946 6.503 ( 13.629 0.000 -0.500) 13.639 6.749 ( -3.017 0.000 2.948) 4.218 7.571 ( -4.736 0.000 -3.937) 6.159 7.659 ( -13.970 0.000 22.858) 26.789 8.804 ( -0.987 0.000 -2.157) 2.372 9.249 ( 11.422 0.000 0.308) 11.426 10.081 ( 37.795 0.000 -33.570) 50.551 11.346 ( -5.845 0.000 2.089) 6.207 11.644 ( -9.650 0.000 -0.818) 9.685 14.488 ( 14.315 0.000 5.661) 15.394 15.846 ( 14.415 0.000 -13.546) 19.781 16.515 ( -3.144 0.000 2.006) 3.730 16.711 ( -18.383 0.000 9.178) 20.546 18.811 ( 7.712 0.000 1.536) 7.864 19.570 ( 28.350 0.000 -27.643) 39.596 22.418 ( -2.653 0.000 7.380) 7.842 23.723 ( -14.160 0.000 -5.653) 15.246 25.945 ( 27.300 0.000 -2.532) 27.417 25.959 ( 13.871 0.000 0.021) 13.871 31.001 ( 8.149 0.000 7.971) 11.399 32.415 ( -15.776 0.000 -2.367) 15.953 32.921 ( -8.139 0.000 4.591) 9.345 33.042 ( 15.165 0.000 -5.742) 16.216 50.223 ( -10.653 0.000 0.799) 10.683 50.290 ( -13.962 0.000 2.226) 14.138 77.565 ( 19.940 0.000 0.808) 19.956 79.166 ( 99.722 0.000 -86.265) 131.856 84.415 ( -20.361 0.000 15.422) 25.542 84.666 ( -9.284 0.000 -0.489) 9.297 107.369 ( -0.069 0.000 0.203) 0.215 107.430 ( -0.977 0.000 0.171) 0.992 109.628 ( -2.697 0.000 3.190) 4.177 109.795 ( -0.302 0.000 -0.659) 0.725 ======================= Grid point 119 (38/140) ======================= q-point: ( 0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 17.121 0.000 3.636) 17.503 0.955 ( 19.864 0.000 7.991) 21.411 2.078 ( 37.356 0.000 10.629) 38.839 2.406 ( 13.446 0.000 -3.854) 13.988 2.459 ( 0.991 0.000 -2.927) 3.090 3.057 ( -7.246 0.000 -0.096) 7.247 3.599 ( -7.364 0.000 -1.226) 7.465 4.139 ( 0.491 0.000 -9.467) 9.480 4.392 ( 11.467 0.000 -0.774) 11.493 4.560 ( 5.400 0.000 -2.796) 6.081 5.110 ( -2.276 0.000 0.669) 2.372 5.171 ( 2.339 0.000 6.469) 6.879 5.444 ( -7.246 0.000 0.309) 7.253 5.633 ( -3.022 0.000 -4.160) 5.142 6.542 ( 3.210 0.000 1.861) 3.710 6.580 ( -4.250 0.000 0.949) 4.354 6.768 ( 5.628 0.000 9.460) 11.008 7.441 ( -8.432 0.000 -3.395) 9.089 7.693 ( 11.352 0.000 5.555) 12.638 8.655 ( -12.926 0.000 -3.284) 13.337 9.623 ( 23.526 0.000 1.263) 23.560 10.413 ( 2.714 0.000 -12.451) 12.743 11.237 ( -4.423 0.000 -0.744) 4.485 11.407 ( -13.131 0.000 -0.258) 13.134 14.862 ( 22.477 0.000 4.264) 22.878 16.089 ( 10.694 0.000 -9.618) 14.383 16.415 ( -12.752 0.000 5.689) 13.963 16.431 ( -5.124 0.000 1.617) 5.373 19.024 ( 13.416 0.000 1.765) 13.532 19.950 ( 13.301 0.000 -19.177) 23.338 22.352 ( -3.725 0.000 6.254) 7.279 23.415 ( -16.090 0.000 -4.667) 16.754 26.341 ( 24.191 0.000 0.906) 24.208 26.571 ( 35.142 0.000 -2.536) 35.233 31.194 ( 11.388 0.000 7.827) 13.819 32.116 ( -14.487 0.000 -0.848) 14.512 32.815 ( -3.534 0.000 2.492) 4.324 33.325 ( 13.406 0.000 -6.501) 14.900 49.922 ( -19.353 0.000 0.546) 19.360 49.941 ( -21.298 0.000 1.321) 21.339 78.116 ( 34.992 0.000 2.670) 35.094 80.513 ( 45.302 0.000 -61.024) 76.001 84.085 ( -13.037 0.000 14.199) 19.276 84.403 ( -17.203 0.000 -0.174) 17.204 107.367 ( -0.118 0.000 0.193) 0.226 107.414 ( -0.659 0.000 0.051) 0.661 109.595 ( -0.932 0.000 2.388) 2.563 109.787 ( -0.519 0.000 -0.735) 0.900 ======================= Grid point 120 (39/140) ======================= q-point: ( 0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 17.301 0.000 -0.464) 17.307 1.358 ( 20.591 0.000 4.524) 21.083 2.394 ( 1.810 0.000 3.684) 4.104 2.564 ( -3.174 0.000 -0.293) 3.188 2.833 ( 28.972 0.000 -0.101) 28.972 2.940 ( 1.318 0.000 1.828) 2.254 3.489 ( -4.024 0.000 -3.356) 5.240 4.189 ( 5.245 0.000 -10.219) 11.486 4.607 ( -0.310 0.000 1.462) 1.495 4.611 ( 10.880 0.000 -0.619) 10.897 5.093 ( -0.288 0.000 0.778) 0.830 5.249 ( 3.372 0.000 3.554) 4.899 5.314 ( -5.336 0.000 1.056) 5.440 5.595 ( 0.070 0.000 -4.442) 4.443 6.466 ( -5.956 0.000 3.435) 6.875 6.599 ( 2.399 0.000 4.032) 4.691 6.903 ( 7.627 0.000 6.512) 10.029 7.243 ( -11.507 0.000 -2.067) 11.691 7.974 ( 15.512 0.000 -1.312) 15.567 8.334 ( -19.095 0.000 -2.837) 19.305 10.070 ( 19.718 0.000 0.076) 19.718 10.320 ( -10.318 0.000 -2.635) 10.650 11.183 ( -7.976 0.000 0.312) 7.982 11.185 ( -1.018 0.000 -1.410) 1.739 15.329 ( 23.919 0.000 2.471) 24.046 16.168 ( -9.931 0.000 0.156) 9.932 16.298 ( 8.016 0.000 -3.038) 8.572 16.325 ( -5.416 0.000 1.329) 5.576 19.318 ( 15.857 0.000 1.905) 15.971 20.164 ( 9.185 0.000 -11.919) 15.048 22.280 ( -3.368 0.000 4.885) 5.933 23.114 ( -14.099 0.000 -3.703) 14.577 26.876 ( 29.166 0.000 1.854) 29.225 27.292 ( 37.205 0.000 -2.716) 37.304 31.445 ( 13.871 0.000 7.045) 15.558 31.851 ( -12.212 0.000 0.938) 12.248 32.756 ( -2.842 0.000 0.705) 2.928 33.565 ( 10.896 0.000 -7.152) 13.034 49.468 ( -26.127 0.000 0.716) 26.137 49.485 ( -24.263 0.000 0.197) 24.264 78.895 ( 42.895 0.000 4.427) 43.123 81.195 ( 27.235 0.000 -34.272) 43.776 83.876 ( -8.789 0.000 6.811) 11.119 84.003 ( -23.082 0.000 0.480) 23.087 107.365 ( -0.135 0.000 0.182) 0.226 107.402 ( -0.561 0.000 -0.063) 0.565 109.583 ( -0.363 0.000 1.609) 1.650 109.776 ( -0.602 0.000 -0.825) 1.021 ======================= Grid point 121 (40/140) ======================= q-point: ( 0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 15.132 0.000 -1.549) 15.211 1.746 ( 18.147 0.000 1.983) 18.255 2.324 ( -15.695 0.000 8.311) 17.760 2.434 ( 2.662 0.000 3.801) 4.640 3.085 ( 8.355 0.000 -3.609) 9.101 3.292 ( 17.292 0.000 -2.922) 17.537 3.434 ( -1.351 0.000 -1.062) 1.718 4.348 ( 9.855 0.000 -9.860) 13.941 4.582 ( -1.172 0.000 1.984) 2.304 4.825 ( 10.730 0.000 -1.977) 10.910 5.062 ( -2.794 0.000 0.817) 2.911 5.240 ( -3.874 0.000 3.604) 5.291 5.252 ( -1.259 0.000 2.396) 2.707 5.648 ( 4.113 0.000 -4.153) 5.845 6.373 ( -3.192 0.000 4.114) 5.207 6.633 ( 1.027 0.000 5.536) 5.630 7.000 ( -12.564 0.000 0.387) 12.570 7.057 ( 7.611 0.000 1.828) 7.827 7.926 ( -21.660 0.000 -1.939) 21.746 8.271 ( 14.316 0.000 -3.921) 14.843 10.062 ( -14.842 0.000 0.702) 14.858 10.336 ( 7.044 0.000 -1.901) 7.296 11.144 ( 4.077 0.000 0.728) 4.141 11.184 ( 0.555 0.000 0.083) 0.561 15.766 ( 19.438 0.000 0.279) 19.440 15.973 ( -9.005 0.000 1.050) 9.066 16.231 ( -3.555 0.000 1.595) 3.896 16.456 ( 7.256 0.000 -2.731) 7.753 19.624 ( 14.679 0.000 1.888) 14.800 20.322 ( 6.938 0.000 -7.647) 10.326 22.223 ( -2.435 0.000 3.570) 4.321 22.869 ( -10.679 0.000 -3.029) 11.100 27.449 ( 27.969 0.000 2.628) 28.093 27.997 ( 33.399 0.000 -3.110) 33.544 31.640 ( -9.187 0.000 2.688) 9.572 31.729 ( 14.642 0.000 5.855) 15.769 32.692 ( -3.760 0.000 -0.053) 3.760 33.751 ( 7.915 0.000 -7.606) 10.977 48.947 ( -25.783 0.000 0.502) 25.788 49.002 ( -23.902 0.000 -0.178) 23.902 79.762 ( 44.250 0.000 5.297) 44.566 81.650 ( 19.586 0.000 -18.861) 27.191 83.507 ( -27.035 0.000 1.512) 27.077 83.723 ( -6.902 0.000 0.571) 6.926 107.362 ( -0.121 0.000 0.174) 0.212 107.392 ( -0.463 0.000 -0.076) 0.470 109.578 ( -0.167 0.000 1.184) 1.196 109.764 ( -0.545 0.000 -0.903) 1.054 ======================= Grid point 122 (41/140) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 10.731 0.000 -1.411) 10.823 1.987 ( -3.647 0.000 6.757) 7.678 2.107 ( 4.252 0.000 6.690) 7.927 2.493 ( 2.982 0.000 4.492) 5.392 3.185 ( 1.817 0.000 -7.681) 7.893 3.452 ( 2.895 0.000 4.160) 5.068 3.539 ( 8.619 0.000 -5.231) 10.082 4.470 ( 1.109 0.000 -0.651) 1.286 4.631 ( 6.174 0.000 -8.278) 10.327 4.995 ( 2.540 0.000 -0.002) 2.540 5.029 ( 2.761 0.000 -2.520) 3.738 5.149 ( -3.962 0.000 5.441) 6.731 5.243 ( 0.602 0.000 2.894) 2.956 5.707 ( 1.272 0.000 -3.683) 3.897 6.343 ( -0.035 0.000 3.142) 3.142 6.622 ( -3.239 0.000 3.283) 4.612 6.797 ( -5.973 0.000 6.637) 8.929 7.188 ( 5.424 0.000 -1.745) 5.697 7.512 ( -19.486 0.000 -1.174) 19.522 8.530 ( 11.775 0.000 -5.773) 13.114 9.771 ( -13.935 0.000 2.970) 14.248 10.399 ( 0.960 0.000 -3.145) 3.288 11.198 ( 0.732 0.000 1.428) 1.604 11.279 ( 7.513 0.000 0.295) 7.518 15.824 ( -5.922 0.000 1.283) 6.060 16.026 ( 4.885 0.000 -2.233) 5.371 16.235 ( 5.721 0.000 2.634) 6.298 16.575 ( 4.656 0.000 -1.993) 5.064 19.875 ( 10.292 0.000 1.785) 10.445 20.435 ( 4.477 0.000 -5.056) 6.753 22.185 ( -1.438 0.000 2.524) 2.905 22.698 ( -6.633 0.000 -2.649) 7.142 27.935 ( 20.353 0.000 3.146) 20.595 28.567 ( 23.440 0.000 -3.443) 23.692 31.493 ( -5.668 0.000 4.109) 7.001 32.009 ( 13.444 0.000 5.029) 14.354 32.602 ( -5.487 0.000 -0.583) 5.518 33.875 ( 4.733 0.000 -7.871) 9.184 48.494 ( -19.163 0.000 0.462) 19.168 48.583 ( -17.656 0.000 -0.501) 17.663 80.605 ( 40.577 0.000 5.109) 40.897 81.972 ( 13.054 0.000 -9.749) 16.292 82.950 ( -29.125 0.000 2.881) 29.267 83.603 ( -5.165 0.000 -4.279) 6.708 107.360 ( -0.082 0.000 0.171) 0.190 107.384 ( -0.309 0.000 -0.054) 0.314 109.576 ( -0.078 0.000 0.954) 0.957 109.755 ( -0.374 0.000 -0.956) 1.026 ======================= Grid point 123 (42/140) ======================= q-point: ( 0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -4.276 0.000 14.909) 15.510 1.909 ( 3.968 0.000 -1.123) 4.124 2.250 ( 4.394 0.000 0.322) 4.405 2.538 ( 1.299 0.000 4.929) 5.097 3.195 ( -0.030 0.000 -7.403) 7.403 3.506 ( 1.702 0.000 5.211) 5.482 3.649 ( 2.739 0.000 -6.477) 7.032 4.476 ( 0.283 0.000 2.724) 2.738 4.704 ( 0.808 0.000 -10.779) 10.810 5.008 ( 1.437 0.000 2.006) 2.468 5.056 ( -1.568 0.000 -0.777) 1.750 5.120 ( 0.502 0.000 5.248) 5.272 5.290 ( 2.702 0.000 -1.802) 3.247 5.704 ( -0.767 0.000 -3.518) 3.600 6.354 ( 0.587 0.000 2.059) 2.141 6.529 ( -3.593 0.000 0.842) 3.690 6.776 ( 1.492 0.000 13.120) 13.205 7.208 ( -9.650 0.000 -1.969) 9.849 7.262 ( 1.926 0.000 -3.611) 4.092 8.713 ( 5.753 0.000 -8.098) 9.934 9.553 ( -6.772 0.000 5.680) 8.839 10.408 ( 0.198 0.000 -3.667) 3.672 11.209 ( 0.304 0.000 2.083) 2.105 11.388 ( 3.020 0.000 -0.203) 3.026 15.745 ( -2.060 0.000 1.536) 2.570 16.043 ( -0.383 0.000 -1.495) 1.543 16.361 ( 4.101 0.000 1.097) 4.245 16.637 ( 1.593 0.000 -1.720) 2.344 20.015 ( 3.695 0.000 1.703) 4.068 20.495 ( 1.558 0.000 -3.771) 4.080 22.166 ( -0.476 0.000 1.939) 1.996 22.610 ( -2.251 0.000 -2.490) 3.356 28.215 ( 7.480 0.000 3.398) 8.216 28.887 ( 8.469 0.000 -3.626) 9.213 31.418 ( -1.909 0.000 4.916) 5.274 32.242 ( 9.470 0.000 6.378) 11.417 32.478 ( -6.542 0.000 -2.636) 7.053 33.937 ( 1.563 0.000 -7.986) 8.137 48.228 ( -7.121 0.000 0.474) 7.136 48.339 ( -6.531 0.000 -0.691) 6.567 81.303 ( 26.566 0.000 3.901) 26.851 82.152 ( 4.793 0.000 -4.924) 6.871 82.406 ( -22.576 0.000 4.630) 23.046 83.529 ( -2.084 0.000 -7.394) 7.682 107.359 ( -0.029 0.000 0.170) 0.173 107.380 ( -0.109 0.000 -0.034) 0.114 109.575 ( -0.023 0.000 0.850) 0.850 109.750 ( -0.133 0.000 -0.982) 0.991 ======================= Grid point 130 (43/140) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 9.801 11.936) 15.444 0.675 ( 0.000 17.661 14.408) 22.793 1.102 ( 0.000 24.473 21.710) 32.715 2.061 ( 0.000 0.384 -4.269) 4.286 2.477 ( 0.000 -3.252 -3.435) 4.731 3.277 ( 0.000 7.372 -5.688) 9.311 3.815 ( 0.000 -3.577 0.977) 3.708 3.970 ( 0.000 -4.379 -0.401) 4.397 4.012 ( 0.000 -3.831 -1.100) 3.985 4.324 ( 0.000 -4.591 -3.221) 5.608 5.051 ( 0.000 -3.159 3.256) 4.537 5.273 ( 0.000 -4.626 -0.756) 4.687 5.783 ( 0.000 3.833 -4.055) 5.580 6.163 ( 0.000 16.853 -10.497) 19.855 6.196 ( 0.000 -0.185 1.503) 1.514 6.443 ( 0.000 -0.171 -0.997) 1.011 6.805 ( 0.000 1.486 1.469) 2.090 7.612 ( 0.000 -0.650 -1.824) 1.937 8.167 ( 0.000 -19.658 19.039) 27.366 8.770 ( 0.000 0.648 -0.035) 0.648 8.797 ( 0.000 1.795 -0.302) 1.820 9.328 ( 0.000 5.472 -10.523) 11.861 11.418 ( 0.000 0.798 2.910) 3.018 11.749 ( 0.000 -0.495 -0.923) 1.047 14.335 ( 0.000 -0.487 6.244) 6.263 15.611 ( 0.000 -1.040 -6.873) 6.952 16.448 ( 0.000 -10.215 4.334) 11.097 17.241 ( 0.000 10.207 -14.302) 17.571 18.740 ( 0.000 0.626 1.307) 1.450 19.016 ( 0.000 -0.287 -1.719) 1.742 22.558 ( 0.000 9.866 7.073) 12.140 23.901 ( 0.000 1.699 -6.239) 6.467 25.620 ( 0.000 0.470 1.768) 1.829 25.812 ( 0.000 -0.720 -0.309) 0.784 30.904 ( 0.000 0.274 9.995) 9.998 32.751 ( 0.000 -0.419 -9.123) 9.133 32.769 ( 0.000 3.104 -1.581) 3.484 33.105 ( 0.000 1.767 -5.505) 5.782 50.350 ( 0.000 0.980 0.174) 0.995 50.479 ( 0.000 1.175 -1.601) 1.986 77.364 ( 0.000 -0.042 -0.013) 0.044 77.378 ( 0.000 -0.123 -0.157) 0.199 84.157 ( 0.000 -9.067 15.581) 18.027 85.666 ( 0.000 28.038 -32.779) 43.135 107.409 ( 0.000 1.232 -1.218) 1.733 107.519 ( 0.000 4.979 -4.454) 6.680 109.628 ( 0.000 -2.602 3.142) 4.080 109.807 ( 0.000 0.466 -1.019) 1.121 ======================= Grid point 131 (44/140) ======================= q-point: ( 0.08 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 14.334 7.646 7.656) 17.960 0.768 ( 8.800 14.172 12.062) 20.587 1.474 ( 32.008 15.949 14.523) 38.598 2.166 ( 10.012 0.455 -3.934) 10.767 2.454 ( -1.527 -2.556 -2.570) 3.934 3.224 ( -4.593 5.992 -3.598) 8.364 3.711 ( -7.968 -4.238 1.024) 9.083 4.099 ( 5.943 -1.970 -4.938) 7.974 4.156 ( 12.175 -2.408 -3.288) 12.839 4.353 ( 5.638 -5.350 -2.772) 8.252 5.003 ( -3.511 -4.527 5.219) 7.750 5.222 ( -4.181 -3.340 -0.226) 5.356 5.737 ( -3.932 3.566 -4.125) 6.722 5.850 ( -13.450 14.447 -1.904) 19.831 6.470 ( 4.466 -0.730 -0.331) 4.537 6.506 ( 10.098 0.064 -0.158) 10.100 6.761 ( -3.415 1.089 3.201) 4.806 7.552 ( -5.097 -0.856 1.299) 5.329 7.717 ( -11.619 3.393 13.597) 18.204 8.799 ( -3.106 -0.586 -2.147) 3.822 9.193 ( 17.231 -4.971 0.255) 17.935 9.835 ( 34.138 -16.191 -17.879) 41.800 11.358 ( -5.419 1.245 2.052) 5.926 11.647 ( -9.655 -0.246 -0.583) 9.675 14.483 ( 14.283 -0.522 5.682) 15.381 15.767 ( 12.367 -4.732 -8.336) 15.647 16.388 ( -5.922 -10.460 4.438) 12.813 16.959 ( -18.290 14.952 -3.330) 23.857 18.820 ( 7.754 0.834 1.353) 7.915 19.419 ( 26.552 -10.774 -15.266) 32.468 22.523 ( -3.201 9.574 6.818) 12.182 23.741 ( -13.860 1.936 -5.572) 15.063 25.922 ( 25.741 -1.377 -0.505) 25.782 25.956 ( 15.249 -0.294 0.017) 15.252 30.989 ( 7.749 -0.667 9.088) 11.962 32.477 ( -16.562 3.878 -5.702) 17.940 32.858 ( -1.510 -2.718 2.187) 3.801 33.152 ( 8.286 5.982 -6.511) 12.117 50.239 ( -11.088 0.812 0.293) 11.121 50.319 ( -14.270 2.286 0.595) 14.464 77.566 ( 20.065 0.103 0.740) 20.079 78.581 ( 86.581 -37.503 -36.339) 101.110 84.106 ( -4.840 -6.616 14.021) 16.241 85.331 ( -27.855 29.156 -18.003) 44.160 107.401 ( -0.713 1.281 -0.929) 1.736 107.481 ( -2.630 4.450 -1.583) 5.406 109.610 ( -1.250 -1.197 2.983) 3.448 109.801 ( -0.486 0.444 -0.862) 1.085 ======================= Grid point 132 (45/140) ======================= q-point: ( 0.15 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 17.378 6.300 3.136) 18.749 1.011 ( 15.664 6.691 7.199) 18.492 2.152 ( 32.125 6.005 8.021) 33.651 2.409 ( 11.877 0.081 -2.626) 12.164 2.453 ( 4.757 -0.259 -2.978) 5.618 3.092 ( -9.047 3.351 0.257) 9.651 3.551 ( -7.243 -4.550 -0.685) 8.581 4.160 ( 1.566 1.853 -9.481) 9.786 4.384 ( 11.436 -0.818 -0.516) 11.476 4.531 ( 7.793 -2.715 -2.558) 8.639 4.978 ( 2.457 -7.529 5.234) 9.493 5.157 ( -1.496 -1.288 0.914) 2.175 5.615 ( -10.076 9.755 -2.177) 14.192 5.663 ( -4.240 3.544 -3.066) 6.320 6.538 ( 2.981 -0.288 2.060) 3.635 6.583 ( -2.863 0.357 0.964) 3.042 6.763 ( 4.953 -0.495 9.412) 10.647 7.437 ( -7.884 -0.206 -2.839) 8.382 7.728 ( 9.743 2.955 4.569) 11.159 8.626 ( -13.468 -2.720 -3.083) 14.081 9.611 ( 23.893 -1.163 0.881) 23.937 10.238 ( 8.261 -14.650 -9.142) 19.142 11.241 ( -5.479 0.575 0.009) 5.509 11.412 ( -12.916 0.199 -0.058) 12.917 14.856 ( 22.445 -0.585 4.304) 22.861 16.001 ( 9.803 -6.674 -5.941) 13.264 16.240 ( -7.588 -9.145 3.274) 12.326 16.667 ( -11.688 12.292 -0.745) 16.978 19.032 ( 13.210 0.704 1.590) 13.324 19.838 ( 16.399 -9.557 -14.729) 24.025 22.446 ( -4.238 8.837 5.796) 11.386 23.434 ( -16.199 1.724 -4.478) 16.895 26.339 ( 24.416 -0.281 0.933) 24.435 26.558 ( 35.684 -0.845 -1.895) 35.744 31.184 ( 11.682 -0.779 8.263) 14.330 32.154 ( -15.563 3.048 -1.967) 15.981 32.806 ( -2.668 -0.566 1.727) 3.228 33.366 ( 11.704 3.325 -6.963) 14.019 49.927 ( -20.218 0.239 0.546) 20.227 49.964 ( -21.288 2.019 0.742) 21.396 78.120 ( 35.155 0.427 2.472) 35.245 80.009 ( 56.505 -39.917 -39.300) 79.566 83.985 ( -7.059 -2.661 9.826) 12.389 84.751 ( -29.469 21.489 -5.540) 36.890 107.386 ( -0.729 1.114 -0.283) 1.361 107.440 ( -1.543 2.593 -0.260) 3.028 109.591 ( -0.656 -0.301 2.162) 2.279 109.790 ( -0.619 0.296 -0.829) 1.076 ======================= Grid point 133 (46/140) ======================= q-point: ( 0.23 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 16.243 5.719 0.267) 17.222 1.364 ( 19.229 1.038 4.239) 19.718 2.392 ( 1.423 -0.340 3.518) 3.810 2.613 ( -1.243 4.273 -1.280) 4.631 2.790 ( 19.232 -4.096 -0.718) 19.677 2.985 ( 8.335 4.455 3.409) 10.047 3.444 ( -3.819 -4.305 -3.545) 6.759 4.215 ( 4.736 2.155 -9.657) 10.969 4.564 ( 2.471 -2.276 0.658) 3.424 4.627 ( 7.674 0.186 0.194) 7.679 5.068 ( 3.672 -3.278 1.148) 5.054 5.177 ( 2.838 -1.540 2.557) 4.119 5.432 ( -7.907 6.235 -0.182) 10.071 5.605 ( -1.070 0.874 -4.552) 4.757 6.479 ( -5.422 1.325 3.477) 6.576 6.606 ( 2.854 0.686 4.464) 5.343 6.892 ( 7.267 -1.061 6.568) 9.853 7.246 ( -11.104 0.287 -2.089) 11.302 7.980 ( 13.514 0.674 -1.263) 13.589 8.305 ( -17.983 -2.771 -2.765) 18.404 10.044 ( 16.677 -2.644 0.036) 16.886 10.246 ( -4.300 -6.423 -2.269) 8.055 11.160 ( -3.577 -0.915 -0.500) 3.726 11.202 ( -5.896 0.456 0.107) 5.915 15.322 ( 23.900 -0.614 2.493) 24.037 15.993 ( -8.636 -12.380 2.463) 15.294 16.261 ( 7.806 -1.771 -3.486) 8.730 16.478 ( -7.519 8.410 -0.719) 11.304 19.318 ( 15.307 -0.012 1.773) 15.410 20.105 ( 11.470 -5.300 -10.411) 16.372 22.365 ( -3.870 7.989 4.469) 9.938 23.131 ( -14.143 1.520 -3.500) 14.649 26.878 ( 29.354 0.120 1.867) 29.413 27.287 ( 37.393 -0.391 -2.535) 37.481 31.440 ( 14.095 -0.411 7.204) 15.835 31.875 ( -12.679 2.071 0.546) 12.858 32.756 ( -2.652 0.028 0.462) 2.692 33.585 ( 10.235 1.762 -7.356) 12.727 49.465 ( -25.852 -0.058 0.635) 25.860 49.502 ( -25.009 1.349 0.148) 25.046 78.902 ( 42.992 0.707 4.131) 43.196 80.891 ( 35.643 -26.288 -26.540) 51.632 83.837 ( -8.103 -0.646 4.508) 9.295 84.181 ( -28.408 12.153 -1.012) 30.915 107.374 ( -0.417 0.739 0.039) 0.850 107.415 ( -1.100 1.276 -0.130) 1.690 109.582 ( -0.304 -0.084 1.526) 1.559 109.777 ( -0.666 0.168 -0.875) 1.113 ======================= Grid point 134 (47/140) ======================= q-point: ( 0.31 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 14.407 4.147 -0.908) 15.020 1.734 ( 17.654 -0.993 2.340) 17.836 2.341 ( -10.824 1.368 8.137) 13.610 2.486 ( -0.854 4.946 2.793) 5.744 3.050 ( 10.365 -3.061 -3.246) 11.284 3.292 ( 11.222 -0.506 -2.736) 11.562 3.411 ( 2.841 -1.767 -1.436) 3.641 4.355 ( 8.906 0.392 -9.174) 12.792 4.551 ( -1.145 -2.329 1.775) 3.144 4.817 ( 9.703 -0.957 -1.661) 9.891 5.081 ( -1.806 1.170 0.465) 2.201 5.188 ( -2.041 -1.062 2.924) 3.721 5.316 ( -4.317 2.441 1.785) 5.270 5.638 ( 3.639 -1.012 -4.730) 6.053 6.390 ( -3.253 1.746 4.221) 5.608 6.653 ( 1.772 1.866 6.179) 6.693 6.975 ( -7.563 -1.725 1.182) 7.847 7.072 ( 2.406 0.952 1.109) 2.815 7.884 ( -20.085 -3.793 -1.580) 20.501 8.283 ( 12.706 0.799 -4.212) 13.410 9.999 ( -12.504 -5.503 1.288) 13.722 10.337 ( 5.839 -0.248 -2.275) 6.271 11.141 ( 3.424 -0.242 0.496) 3.468 11.179 ( 1.448 -0.405 0.444) 1.568 15.742 ( 12.577 -3.765 0.491) 13.138 15.837 ( -1.060 -8.844 2.576) 9.272 16.309 ( -3.966 4.761 -0.315) 6.204 16.459 ( 6.118 0.346 -2.470) 6.607 19.611 ( 13.827 -1.339 1.867) 14.017 20.302 ( 8.673 -1.789 -7.141) 11.376 22.297 ( -2.969 7.047 3.212) 8.294 22.886 ( -10.565 1.583 -2.863) 11.060 27.454 ( 28.127 0.459 2.614) 28.252 27.993 ( 33.319 -0.393 -3.008) 33.457 31.655 ( -8.736 1.400 2.636) 9.232 31.730 ( 14.179 0.118 5.832) 15.332 32.695 ( -3.658 0.241 -0.143) 3.668 33.762 ( 7.611 1.006 -7.704) 10.876 48.947 ( -25.726 0.049 0.516) 25.731 49.009 ( -24.221 0.632 -0.206) 24.230 79.770 ( 44.242 0.790 4.982) 44.529 81.476 ( 24.598 -15.691 -15.978) 33.265 83.554 ( -26.394 3.978 0.488) 26.697 83.741 ( -10.494 1.639 0.254) 10.625 107.368 ( -0.260 0.505 0.119) 0.580 107.396 ( -0.804 0.421 -0.075) 0.910 109.578 ( -0.151 -0.027 1.155) 1.165 109.765 ( -0.592 0.068 -0.925) 1.101 ======================= Grid point 135 (48/140) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 10.273 3.199 -0.798) 10.789 2.022 ( 8.389 0.560 2.073) 8.660 2.121 ( -6.252 3.935 10.892) 13.161 2.526 ( 2.813 3.050 3.468) 5.408 3.176 ( 2.201 -0.895 -7.731) 8.088 3.390 ( 4.528 -4.874 2.169) 6.997 3.562 ( 7.176 1.122 -2.969) 7.847 4.471 ( 0.913 0.025 -0.390) 0.994 4.591 ( 5.904 -3.629 -8.146) 10.695 4.976 ( 5.342 -2.781 -2.498) 6.520 5.040 ( -1.264 2.079 0.925) 2.603 5.136 ( -1.995 -1.466 3.044) 3.923 5.248 ( -2.395 0.470 2.983) 3.854 5.697 ( 1.572 -1.045 -4.237) 4.639 6.354 ( -0.618 1.099 3.444) 3.667 6.649 ( -4.029 2.466 3.180) 5.695 6.794 ( -4.887 -0.073 7.426) 8.890 7.178 ( 4.679 -0.931 -1.454) 4.987 7.501 ( -17.358 -0.975 -1.299) 17.434 8.518 ( 10.647 -1.241 -5.873) 12.222 9.741 ( -12.504 -2.618 3.256) 13.183 10.384 ( 0.473 -1.399 -3.220) 3.543 11.185 ( 1.068 -1.039 1.393) 2.040 11.290 ( 7.406 0.844 0.178) 7.456 15.666 ( -5.546 -12.260 2.588) 13.703 16.070 ( 8.080 1.757 -2.521) 8.644 16.265 ( 1.856 2.555 1.831) 3.651 16.574 ( 4.771 -0.063 -2.049) 5.193 19.843 ( 9.424 -2.899 1.935) 10.048 20.445 ( 5.753 0.897 -5.037) 7.699 22.249 ( -1.924 6.059 2.235) 6.739 22.719 ( -6.410 1.943 -2.542) 7.164 27.943 ( 20.462 0.721 3.108) 20.710 28.559 ( 23.274 -0.678 -3.324) 23.520 31.508 ( -5.708 1.377 4.020) 7.116 32.011 ( 13.532 0.210 5.127) 14.472 32.607 ( -5.388 0.420 -0.641) 5.442 33.882 ( 4.588 0.626 -7.917) 9.172 48.495 ( -19.142 0.106 0.475) 19.148 48.586 ( -17.814 0.225 -0.497) 17.822 80.611 ( 40.514 0.697 4.836) 40.807 81.874 ( 15.875 -9.041 -8.610) 20.196 82.978 ( -30.247 2.382 2.387) 30.435 83.595 ( -5.840 -0.755 -4.209) 7.238 107.363 ( -0.239 0.288 0.146) 0.402 107.384 ( -0.414 -0.018 -0.035) 0.416 109.576 ( -0.073 -0.011 0.946) 0.949 109.755 ( -0.405 -0.004 -0.960) 1.042 ======================= Grid point 136 (49/140) ======================= q-point: ( 0.46 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 2.384 5.118 5.122) 7.624 1.963 ( -2.048 7.378 7.476) 10.702 2.214 ( 4.234 -3.108 1.123) 5.370 2.570 ( 1.292 2.827 3.696) 4.829 3.187 ( -0.054 -0.814 -7.377) 7.422 3.470 ( 2.509 -3.036 3.677) 5.388 3.654 ( 2.303 0.130 -4.689) 5.226 4.473 ( 0.098 -0.195 2.449) 2.459 4.667 ( 1.148 -3.703 -10.947) 11.613 5.018 ( 0.867 -0.368 1.787) 2.019 5.053 ( 1.517 0.229 -0.181) 1.544 5.106 ( -1.878 -1.337 2.576) 3.457 5.240 ( 0.915 -4.176 -0.050) 4.275 5.704 ( -0.276 -0.188 -3.898) 3.913 6.351 ( 0.030 -0.002 2.493) 2.493 6.539 ( -3.854 0.829 1.171) 4.113 6.789 ( 1.455 1.258 13.363) 13.501 7.186 ( -5.059 -1.271 -2.264) 5.686 7.292 ( -1.431 2.173 -3.375) 4.261 8.680 ( 4.929 -3.190 -7.801) 9.764 9.549 ( -5.854 -0.339 5.512) 8.048 10.388 ( 0.049 -1.973 -3.645) 4.144 11.200 ( 0.386 -0.799 2.035) 2.220 11.399 ( 3.013 0.879 -0.380) 3.161 15.590 ( -1.976 -12.276 2.827) 12.751 16.112 ( -0.274 4.224 -2.655) 4.997 16.358 ( 3.799 -0.273 1.218) 3.999 16.638 ( 1.659 0.142 -1.800) 2.452 19.970 ( 3.310 -3.970 1.999) 5.542 20.524 ( 2.061 2.437 -4.004) 5.120 22.223 ( -0.689 5.347 1.700) 5.653 22.635 ( -2.128 2.327 -2.432) 3.982 28.225 ( 7.520 0.869 3.346) 8.276 28.877 ( 8.388 -0.941 -3.479) 9.129 31.432 ( -1.914 1.344 4.854) 5.388 32.245 ( 9.389 0.253 6.519) 11.433 32.485 ( -6.384 0.635 -2.726) 6.970 33.942 ( 1.518 0.460 -8.008) 8.164 48.230 ( -7.114 0.132 0.480) 7.131 48.340 ( -6.580 0.038 -0.673) 6.615 81.308 ( 26.495 0.578 3.678) 26.756 82.094 ( 6.290 -5.348 -4.301) 9.310 82.416 ( -23.422 0.821 4.268) 23.822 83.511 ( -2.385 -1.689 -7.237) 7.805 107.359 ( -0.118 0.031 0.168) 0.207 107.379 ( -0.104 -0.075 -0.024) 0.130 109.575 ( -0.022 -0.006 0.851) 0.851 109.749 ( -0.144 -0.043 -0.976) 0.987 ======================= Grid point 143 (50/140) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 18.781 0.913) 18.803 1.065 ( 0.000 19.737 8.290) 21.408 1.567 ( 0.000 19.870 7.100) 21.101 2.063 ( 0.000 -0.517 -3.037) 3.080 2.419 ( 0.000 -2.333 -1.634) 2.848 3.368 ( 0.000 1.253 -3.342) 3.569 3.784 ( 0.000 1.586 2.642) 3.082 3.854 ( 0.000 -6.700 -0.470) 6.717 3.912 ( 0.000 -5.639 -1.115) 5.748 4.309 ( 0.000 0.919 -6.041) 6.111 5.022 ( 0.000 -0.753 0.211) 0.782 5.180 ( 0.000 -3.682 2.927) 4.704 5.859 ( 0.000 4.206 -4.334) 6.039 6.192 ( 0.000 -0.197 1.429) 1.443 6.326 ( 0.000 1.850 -6.322) 6.587 6.439 ( 0.000 -0.289 -1.094) 1.132 6.836 ( 0.000 1.177 1.613) 1.997 7.595 ( 0.000 -1.061 2.524) 2.738 7.854 ( 0.000 -12.257 12.584) 17.567 8.792 ( 0.000 1.435 0.150) 1.442 8.836 ( 0.000 1.951 -0.304) 1.975 9.373 ( 0.000 0.207 -10.136) 10.138 11.451 ( 0.000 2.191 2.298) 3.175 11.722 ( 0.000 -2.026 0.093) 2.028 14.323 ( 0.000 -0.691 6.238) 6.276 15.585 ( 0.000 -1.457 -6.691) 6.848 16.196 ( 0.000 -13.286 6.840) 14.943 17.345 ( 0.000 1.491 -10.936) 11.038 18.756 ( 0.000 0.875 1.053) 1.369 19.008 ( 0.000 -0.409 -1.788) 1.834 22.797 ( 0.000 12.805 6.373) 14.304 23.957 ( 0.000 3.311 -5.865) 6.735 25.633 ( 0.000 0.817 1.566) 1.766 25.792 ( 0.000 -1.168 -0.169) 1.180 30.911 ( 0.000 0.386 9.944) 9.951 32.740 ( 0.000 -0.594 -8.996) 9.015 32.814 ( 0.000 1.638 -0.947) 1.893 33.121 ( 0.000 0.082 -5.407) 5.407 50.363 ( 0.000 0.448 0.670) 0.806 50.492 ( 0.000 0.186 -1.099) 1.115 77.363 ( 0.000 -0.048 -0.031) 0.058 77.374 ( 0.000 -0.185 -0.151) 0.239 84.116 ( 0.000 1.798 10.451) 10.605 85.962 ( 0.000 6.204 -22.097) 22.951 107.429 ( 0.000 0.890 -0.607) 1.077 107.584 ( 0.000 1.819 -3.223) 3.701 109.596 ( 0.000 -0.851 2.378) 2.526 109.815 ( 0.000 0.347 -1.120) 1.172 ======================= Grid point 144 (51/140) ======================= q-point: ( 0.08 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 8.888 16.121 0.671) 18.421 1.103 ( 3.633 17.928 8.063) 19.991 1.787 ( 20.445 12.602 4.448) 24.425 2.174 ( 10.557 0.369 -2.367) 10.825 2.408 ( -0.673 -1.898 -0.876) 2.196 3.317 ( -4.671 2.401 -3.244) 6.173 3.628 ( -10.388 -3.078 3.513) 11.389 4.045 ( 12.361 -4.846 -1.774) 13.394 4.067 ( 13.736 -3.425 -2.815) 14.434 4.318 ( 2.165 0.623 -4.710) 5.221 4.967 ( -4.998 -0.189 2.354) 5.528 5.144 ( -2.435 -3.451 1.210) 4.393 5.809 ( -4.566 3.646 -4.152) 7.168 6.031 ( -11.333 4.341 -2.783) 12.451 6.453 ( 5.551 -0.902 -0.582) 5.654 6.497 ( 6.734 -0.946 0.546) 6.822 6.785 ( -4.091 1.064 3.687) 5.609 7.546 ( -3.859 0.174 2.111) 4.403 7.735 ( -4.720 -2.002 8.116) 9.599 8.777 ( -6.643 -1.432 -1.915) 7.060 9.101 ( 22.704 -2.985 0.226) 22.900 9.601 ( 19.574 -7.412 -8.684) 22.660 11.393 ( -5.495 2.099 1.776) 6.145 11.627 ( -8.965 -1.564 0.223) 9.103 14.469 ( 14.196 -0.757 5.714) 15.321 15.691 ( 9.369 -3.012 -6.423) 11.752 16.143 ( -4.941 -12.614 6.163) 14.883 17.162 ( -14.960 5.478 -7.130) 17.454 18.841 ( 7.942 1.076 0.970) 8.073 19.242 ( 19.526 -6.435 -5.866) 21.380 22.759 ( -3.581 12.745 5.887) 14.488 23.792 ( -14.437 2.697 -4.962) 15.502 25.907 ( 22.369 -0.211 0.399) 22.374 25.949 ( 18.109 -0.362 0.093) 18.113 30.983 ( 6.992 -0.023 9.567) 11.849 32.529 ( -15.521 1.407 -6.611) 16.929 32.831 ( -0.838 -0.305 0.495) 1.020 33.231 ( 9.098 2.137 -7.036) 11.698 50.250 ( -11.317 0.378 0.695) 11.345 50.355 ( -13.220 1.125 -0.482) 13.277 77.570 ( 20.559 0.359 0.553) 20.570 78.032 ( 57.596 -17.573 -9.038) 60.891 84.082 ( -3.355 1.906 9.442) 10.200 85.691 ( -25.203 9.328 -17.080) 31.842 107.421 ( -0.718 0.864 -0.467) 1.217 107.553 ( -2.711 2.431 -2.190) 4.250 109.592 ( -0.335 -0.582 2.163) 2.265 109.810 ( -0.512 0.373 -1.067) 1.241 ======================= Grid point 145 (52/140) ======================= q-point: ( 0.15 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 14.008 10.571 0.713) 17.564 1.218 ( 8.475 12.454 6.095) 16.251 2.239 ( 19.931 0.992 0.475) 19.961 2.405 ( 7.333 -0.783 2.522) 7.794 2.461 ( 13.275 1.426 -3.396) 13.776 3.186 ( -8.440 5.743 0.618) 10.227 3.436 ( -7.762 -6.129 1.102) 9.952 4.193 ( 3.494 0.673 -8.248) 8.983 4.361 ( 13.124 -1.130 -0.287) 13.176 4.475 ( 11.701 -2.071 -2.309) 12.105 4.885 ( -0.763 -1.761 4.281) 4.692 5.120 ( 0.439 -2.242 -0.001) 2.284 5.698 ( -6.604 2.390 -3.610) 7.897 5.793 ( -12.031 4.795 -3.297) 13.365 6.535 ( 3.567 0.023 2.630) 4.432 6.595 ( 0.270 0.859 1.004) 1.349 6.751 ( 2.934 -0.584 8.754) 9.251 7.435 ( -7.905 -0.091 -2.452) 8.278 7.784 ( 9.037 2.010 3.445) 9.878 8.559 ( -14.876 -3.419 -2.684) 15.498 9.581 ( 24.816 -1.645 0.091) 24.871 9.943 ( 12.389 -12.878 -4.777) 18.497 11.262 ( -6.933 1.363 0.617) 7.092 11.407 ( -12.209 -0.665 0.482) 12.236 14.841 ( 22.397 -0.834 4.380) 22.836 15.850 ( 1.660 -8.578 -0.807) 8.774 16.066 ( 1.654 -7.007 0.620) 7.226 16.863 ( -14.317 6.775 -3.824) 16.294 19.049 ( 12.647 0.902 1.167) 12.733 19.639 ( 19.288 -8.940 -8.315) 22.828 22.671 ( -5.002 12.386 4.735) 14.172 23.472 ( -16.744 1.756 -3.718) 17.242 26.330 ( 25.002 -0.599 1.079) 25.033 26.551 ( 35.855 0.196 -1.345) 35.880 31.171 ( 11.774 -0.369 8.673) 14.628 32.210 ( -15.981 2.196 -3.007) 16.409 32.800 ( -1.915 0.044 0.434) 1.964 33.428 ( 10.343 2.486 -7.492) 13.011 49.931 ( -20.570 0.221 0.727) 20.584 50.004 ( -21.621 1.692 -0.016) 21.687 78.136 ( 35.748 1.215 1.934) 35.821 79.256 ( 60.569 -31.191 -16.439) 70.084 83.989 ( -5.930 1.998 6.781) 9.227 85.082 ( -34.324 11.101 -9.117) 37.209 107.404 ( -0.910 0.779 -0.166) 1.209 107.496 ( -2.774 2.465 -0.955) 3.832 109.585 ( -0.308 -0.242 1.728) 1.772 109.797 ( -0.745 0.328 -1.009) 1.296 ======================= Grid point 146 (53/140) ======================= q-point: ( 0.23 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 14.994 5.748 1.393) 16.118 1.436 ( 13.420 6.979 3.142) 15.449 2.374 ( 1.268 -1.558 3.271) 3.839 2.659 ( 6.385 -4.944 -0.513) 8.091 2.727 ( 11.783 2.934 -1.712) 12.263 3.107 ( 6.251 7.054 4.141) 10.295 3.334 ( -2.969 -6.016 -4.015) 7.818 4.248 ( 3.197 0.452 -7.309) 7.990 4.548 ( 1.767 1.443 -0.939) 2.467 4.621 ( 8.085 -0.690 0.147) 8.116 4.997 ( 8.506 -2.860 1.502) 9.099 5.165 ( 3.718 -1.006 0.699) 3.914 5.522 ( -10.788 2.758 -1.267) 11.207 5.623 ( -4.550 0.575 -4.917) 6.724 6.522 ( -4.240 2.895 3.458) 6.190 6.624 ( 3.812 1.033 5.211) 6.538 6.865 ( 6.931 -1.421 6.339) 9.500 7.251 ( -10.281 0.110 -2.135) 10.501 8.002 ( 9.290 1.380 -1.238) 9.473 8.229 ( -15.786 -4.490 -2.441) 16.592 9.959 ( 6.101 -5.633 0.228) 8.307 10.118 ( 11.444 -5.256 -1.855) 12.729 11.152 ( -3.844 0.072 -0.038) 3.844 11.204 ( -6.709 -0.231 0.696) 6.749 15.307 ( 23.869 -0.829 2.552) 24.019 15.734 ( -9.006 -12.599 4.298) 16.073 16.225 ( 10.191 -1.673 -3.652) 10.954 16.614 ( -10.835 4.876 -2.415) 12.124 19.316 ( 13.872 -0.291 1.485) 13.954 19.984 ( 15.799 -5.923 -7.550) 18.485 22.572 ( -4.881 11.668 3.425) 13.103 23.162 ( -14.319 1.196 -2.821) 14.643 26.879 ( 29.867 -0.009 1.938) 29.930 27.283 ( 37.410 0.061 -2.298) 37.480 31.433 ( 14.433 -0.247 7.448) 16.243 31.920 ( -13.181 2.168 -0.082) 13.358 32.758 ( -2.407 0.264 -0.053) 2.422 33.624 ( 9.271 1.853 -7.721) 12.206 49.466 ( -25.873 0.104 0.668) 25.881 49.531 ( -25.752 1.340 -0.068) 25.787 78.927 ( 43.291 1.857 3.329) 43.459 80.316 ( 46.702 -27.652 -15.139) 56.346 83.854 ( -7.749 1.798 3.213) 8.580 84.395 ( -34.759 8.266 -3.717) 35.921 107.388 ( -0.652 0.603 0.038) 0.889 107.447 ( -2.244 1.632 -0.399) 2.803 109.580 ( -0.199 -0.087 1.349) 1.367 109.781 ( -0.796 0.212 -0.988) 1.286 ======================= Grid point 147 (54/140) ======================= q-point: ( 0.31 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 13.244 4.888 0.730) 14.136 1.724 ( 14.824 1.023 2.102) 15.007 2.361 ( -3.302 0.351 7.555) 8.252 2.606 ( -2.952 5.694 1.549) 6.598 2.991 ( 12.238 -1.792 -1.899) 12.514 3.247 ( 0.677 -3.796 -4.501) 5.927 3.391 ( 10.587 -0.118 -0.750) 10.614 4.337 ( 5.681 -2.738 -6.103) 8.776 4.531 ( -1.246 1.083 -0.436) 1.707 4.784 ( 7.204 -2.199 -1.454) 7.672 5.091 ( 0.982 0.321 0.767) 1.286 5.203 ( -1.652 1.166 1.007) 2.259 5.338 ( -6.936 0.217 0.634) 6.968 5.606 ( 2.520 -2.129 -5.584) 6.486 6.440 ( -3.610 3.086 4.223) 6.355 6.699 ( 3.414 2.247 7.381) 8.437 6.951 ( -3.668 -0.328 1.658) 4.039 7.084 ( -1.341 0.235 0.586) 1.482 7.796 ( -18.556 -4.448 -1.090) 19.113 8.290 ( 10.855 -0.223 -4.419) 11.722 9.877 ( -9.116 -5.830 2.161) 11.034 10.319 ( 4.967 -1.496 -2.806) 5.898 11.136 ( 1.870 -0.269 0.252) 1.906 11.170 ( 3.270 -0.423 0.895) 3.416 15.544 ( -7.748 -12.138 4.109) 14.975 15.762 ( 19.612 -1.271 0.842) 19.671 16.376 ( 0.553 1.934 -2.288) 3.047 16.470 ( 0.516 0.557 -2.052) 2.188 19.574 ( 11.964 -2.115 1.893) 12.297 20.262 ( 12.375 -1.957 -6.146) 13.955 22.481 ( -4.281 10.484 2.278) 11.551 22.919 ( -10.199 1.280 -2.337) 10.541 27.465 ( 28.564 0.544 2.607) 28.688 27.985 ( 32.954 -0.309 -2.816) 33.075 31.689 ( -6.477 1.793 2.751) 7.262 31.734 ( 11.996 0.228 5.575) 13.230 32.702 ( -3.457 0.424 -0.354) 3.501 33.786 ( 7.038 1.244 -7.912) 10.662 48.949 ( -25.661 0.104 0.563) 25.667 49.024 ( -24.823 0.759 -0.265) 24.836 79.797 ( 44.163 1.953 4.134) 44.399 81.104 ( 33.675 -19.345 -10.839) 40.321 83.636 ( -22.245 3.784 -0.435) 22.569 83.778 ( -19.772 1.648 -0.545) 19.848 107.378 ( -0.386 0.443 0.084) 0.594 107.408 ( -1.675 0.695 -0.124) 1.818 109.577 ( -0.119 -0.032 1.089) 1.096 109.767 ( -0.701 0.089 -0.978) 1.206 ======================= Grid point 148 (55/140) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 9.728 4.691 -0.001) 10.800 1.986 ( 11.160 -2.385 1.995) 11.585 2.268 ( -4.678 8.449 10.179) 14.032 2.606 ( 1.716 4.832 1.396) 5.314 3.152 ( 2.633 -1.420 -7.638) 8.203 3.290 ( 5.986 -4.342 1.121) 7.480 3.567 ( 6.303 -0.627 -1.758) 6.573 4.441 ( 3.631 -4.773 -2.888) 6.656 4.524 ( 1.003 -0.929 -4.740) 4.933 4.895 ( 4.160 -5.152 -2.604) 7.116 5.071 ( -1.925 -0.329 2.890) 3.488 5.124 ( -4.504 1.502 -0.360) 4.761 5.252 ( -2.812 0.033 1.901) 3.395 5.664 ( 2.282 -2.197 -5.172) 6.065 6.386 ( -1.903 1.987 3.963) 4.825 6.704 ( -6.883 2.221 1.873) 7.471 6.810 ( -1.754 2.268 10.006) 10.408 7.155 ( 3.649 -1.287 -0.885) 3.969 7.477 ( -12.666 -1.349 -1.745) 12.856 8.480 ( 8.100 -2.379 -5.810) 10.248 9.683 ( -9.375 -2.689 3.639) 10.410 10.344 ( -0.587 -2.460 -3.310) 4.166 11.165 ( 1.246 -0.909 1.335) 2.040 11.305 ( 7.707 0.606 -0.125) 7.732 15.405 ( -5.689 -12.606 4.523) 14.551 16.082 ( 11.203 -0.160 -2.426) 11.464 16.312 ( -1.813 1.712 0.384) 2.523 16.571 ( 5.167 -0.233 -2.207) 5.623 19.773 ( 7.928 -3.734 2.338) 9.070 20.466 ( 8.186 1.037 -5.067) 9.683 22.406 ( -3.273 8.821 1.486) 9.525 22.763 ( -5.675 2.120 -2.223) 6.453 27.961 ( 20.772 0.997 3.035) 21.016 28.543 ( 22.796 -0.885 -3.059) 23.018 31.542 ( -5.785 1.861 3.831) 7.183 32.016 ( 13.739 0.330 5.355) 14.749 32.618 ( -5.147 0.653 -0.786) 5.248 33.898 ( 4.279 0.832 -8.019) 9.127 48.498 ( -19.093 0.155 0.506) 19.101 48.591 ( -18.168 0.288 -0.484) 18.177 80.635 ( 40.292 1.676 4.102) 40.535 81.650 ( 21.827 -12.161 -6.397) 25.792 83.028 ( -32.503 2.360 1.736) 32.634 83.576 ( -7.271 -1.067 -4.046) 8.389 107.370 ( -0.547 0.364 0.097) 0.664 107.384 ( -0.697 -0.028 0.007) 0.697 109.576 ( -0.063 -0.014 0.929) 0.931 109.755 ( -0.478 -0.008 -0.969) 1.080 ======================= Grid point 149 (56/140) ======================= q-point: ( 0.46 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.961 4.098 -0.216) 5.704 2.142 ( 4.256 -3.093 1.971) 5.618 2.201 ( -2.034 13.786 10.462) 17.425 2.637 ( 0.963 3.624 1.557) 4.061 3.163 ( -0.049 -1.504 -7.353) 7.505 3.405 ( 3.688 -2.973 2.220) 5.232 3.645 ( 1.852 -1.096 -2.903) 3.613 4.472 ( 0.471 -0.056 1.535) 1.607 4.551 ( 0.691 -7.543 -10.310) 12.793 4.962 ( 2.774 -4.754 0.215) 5.508 5.027 ( -2.333 -6.177 -0.528) 6.625 5.075 ( -0.576 0.785 0.698) 1.198 5.205 ( -1.812 1.819 2.388) 3.506 5.690 ( 0.552 -1.325 -4.713) 4.926 6.360 ( -0.807 0.861 3.453) 3.649 6.556 ( -4.640 0.744 1.830) 5.043 6.827 ( 1.040 2.508 13.800) 14.065 7.172 ( -1.387 -0.057 -2.446) 2.813 7.334 ( -2.080 1.891 -3.484) 4.476 8.596 ( 3.227 -4.761 -6.930) 9.006 9.545 ( -3.971 0.046 4.953) 6.349 10.333 ( -0.344 -3.296 -3.527) 4.839 11.183 ( 0.494 -0.800 1.912) 2.131 11.417 ( 3.076 0.839 -0.782) 3.283 15.329 ( -1.994 -12.637 4.720) 13.636 16.170 ( 0.222 1.481 -4.169) 4.429 16.351 ( 3.096 -0.369 1.447) 3.437 16.641 ( 1.818 0.122 -1.970) 2.683 19.879 ( 2.759 -4.602 2.648) 5.983 20.577 ( 2.897 2.537 -4.521) 5.939 22.359 ( -1.284 7.514 1.110) 7.704 22.692 ( -1.745 2.981 -2.280) 4.139 28.247 ( 7.633 1.261 3.232) 8.385 28.853 ( 8.168 -1.333 -3.143) 8.853 31.466 ( -1.927 1.823 4.729) 5.422 32.252 ( 9.179 0.372 6.839) 11.453 32.502 ( -5.985 0.978 -2.936) 6.738 33.954 ( 1.417 0.624 -8.059) 8.206 48.233 ( -7.096 0.194 0.495) 7.115 48.340 ( -6.698 0.039 -0.628) 6.727 81.329 ( 26.429 1.531 3.064) 26.650 81.957 ( 9.199 -7.771 -3.248) 12.472 82.432 ( -24.896 0.667 3.919) 25.211 83.469 ( -3.133 -2.308 -6.876) 7.901 107.360 ( -0.334 -0.007 0.171) 0.375 107.378 ( -0.084 -0.069 -0.007) 0.109 109.575 ( -0.020 -0.008 0.853) 0.853 109.748 ( -0.169 -0.062 -0.962) 0.979 ======================= Grid point 156 (57/140) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 13.437 2.976) 13.763 1.429 ( 0.000 15.525 5.088) 16.338 1.855 ( 0.000 8.630 -9.323) 12.704 2.027 ( 0.000 -3.177 -1.302) 3.434 2.381 ( 0.000 -1.631 0.340) 1.666 3.367 ( 0.000 -0.137 2.364) 2.368 3.729 ( 0.000 -5.018 -0.538) 5.046 3.806 ( 0.000 -4.339 -1.271) 4.521 3.852 ( 0.000 3.813 4.065) 5.574 4.313 ( 0.000 -0.737 -7.890) 7.925 5.006 ( 0.000 -0.781 -0.260) 0.823 5.138 ( 0.000 -0.762 6.316) 6.362 5.969 ( 0.000 6.845 -4.785) 8.352 6.189 ( 0.000 -0.103 1.361) 1.365 6.298 ( 0.000 -3.951 -5.229) 6.554 6.433 ( 0.000 -0.229 -1.180) 1.202 6.838 ( 0.000 -0.945 3.266) 3.399 7.569 ( 0.000 -1.448 9.692) 9.800 7.673 ( 0.000 -5.515 2.665) 6.125 8.820 ( 0.000 1.145 0.282) 1.179 8.869 ( 0.000 1.203 -0.259) 1.231 9.364 ( 0.000 -0.684 -10.394) 10.417 11.497 ( 0.000 2.160 1.690) 2.742 11.676 ( 0.000 -2.226 0.764) 2.353 14.310 ( 0.000 -0.490 6.231) 6.250 15.559 ( 0.000 -1.021 -6.517) 6.597 15.967 ( 0.000 -8.542 8.419) 11.993 17.345 ( 0.000 -0.738 -8.304) 8.336 18.772 ( 0.000 0.612 0.827) 1.028 19.001 ( 0.000 -0.292 -1.877) 1.899 23.026 ( 0.000 8.928 5.381) 10.425 24.014 ( 0.000 2.052 -4.877) 5.291 25.650 ( 0.000 0.799 1.338) 1.558 25.768 ( 0.000 -1.044 -0.005) 1.044 30.918 ( 0.000 0.273 9.895) 9.899 32.730 ( 0.000 -0.421 -8.870) 8.880 32.840 ( 0.000 0.934 -0.845) 1.259 33.117 ( 0.000 -0.315 -5.094) 5.104 50.370 ( 0.000 0.228 0.989) 1.015 50.492 ( 0.000 -0.065 -0.662) 0.665 77.362 ( 0.000 -0.020 -0.052) 0.055 77.371 ( 0.000 -0.145 -0.144) 0.204 84.167 ( 0.000 2.456 8.602) 8.946 86.021 ( 0.000 1.000 -15.979) 16.010 107.444 ( 0.000 0.575 -0.230) 0.619 107.606 ( 0.000 0.588 -1.977) 2.063 109.586 ( 0.000 -0.249 1.689) 1.707 109.821 ( 0.000 0.217 -1.258) 1.277 ======================= Grid point 157 (58/140) ======================= q-point: ( 0.08 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 5.930 12.649 2.228) 14.147 1.454 ( 0.238 16.480 2.414) 16.658 1.903 ( 9.449 -1.721 -4.016) 10.410 2.193 ( 13.125 1.662 -2.967) 13.558 2.375 ( -0.264 -1.478 0.810) 1.706 3.324 ( -3.250 -0.883 0.906) 3.488 3.603 ( -11.674 0.438 3.677) 12.247 3.926 ( 15.281 -5.136 -1.014) 16.153 4.053 ( 13.402 0.711 -0.396) 13.426 4.326 ( 1.977 -0.326 -6.722) 7.015 4.965 ( -3.865 -0.346 0.382) 3.900 5.104 ( -2.531 -0.486 4.568) 5.244 5.891 ( -6.563 4.684 -4.310) 9.143 6.058 ( -10.076 -1.205 -3.082) 10.606 6.435 ( 8.624 -0.872 -0.176) 8.670 6.476 ( 4.370 -0.945 0.702) 4.525 6.800 ( -3.087 0.445 4.136) 5.180 7.554 ( -3.099 0.597 1.098) 3.342 7.660 ( 1.713 -4.285 7.231) 8.578 8.756 ( -8.179 -0.503 -1.714) 8.372 9.076 ( 20.120 -0.106 -0.058) 20.120 9.500 ( 12.214 -3.162 -7.330) 14.591 11.436 ( -5.857 1.992 1.401) 6.343 11.591 ( -8.154 -1.844 0.821) 8.400 14.455 ( 14.102 -0.538 5.732) 15.232 15.641 ( 6.838 -2.011 -5.438) 8.965 15.929 ( -2.904 -7.757 7.071) 10.890 17.216 ( -11.670 0.843 -6.944) 13.606 18.860 ( 8.175 0.712 0.646) 8.231 19.154 ( 14.344 -2.604 -3.146) 14.914 22.988 ( -3.568 9.020 4.820) 10.831 23.835 ( -15.570 1.402 -3.863) 16.103 25.906 ( 17.463 0.059 0.473) 17.470 25.944 ( 23.108 -0.128 0.121) 23.109 30.985 ( 6.597 0.132 9.611) 11.658 32.544 ( -14.493 0.259 -6.410) 15.849 32.834 ( -1.010 0.340 -0.518) 1.185 33.254 ( 10.382 0.457 -6.809) 12.424 50.256 ( -11.404 0.199 0.963) 11.446 50.368 ( -12.308 0.311 -0.492) 12.321 77.581 ( 21.598 0.664 0.296) 21.610 77.802 ( 40.589 -6.764 -2.915) 41.251 84.132 ( -3.463 2.355 7.807) 8.859 85.794 ( -21.967 2.301 -13.770) 26.028 107.436 ( -0.770 0.555 -0.139) 0.959 107.584 ( -2.099 0.874 -1.660) 2.815 109.585 ( -0.119 -0.196 1.604) 1.620 109.816 ( -0.505 0.222 -1.227) 1.345 ======================= Grid point 158 (59/140) ======================= q-point: ( 0.15 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 9.346 11.054 0.055) 14.476 1.456 ( 2.061 9.940 2.324) 10.413 2.192 ( 15.760 -4.722 -0.768) 16.470 2.370 ( 2.393 -1.870 2.883) 4.188 2.498 ( 15.432 1.341 -3.540) 15.889 3.262 ( -2.729 -0.832 -1.099) 3.058 3.368 ( -10.928 1.704 4.830) 12.068 4.171 ( 6.147 -2.194 -4.894) 8.158 4.356 ( 15.991 0.643 -0.623) 16.016 4.456 ( 11.994 -0.259 -3.437) 12.480 4.888 ( -2.324 1.417 1.583) 3.149 5.072 ( -0.118 -2.307 1.446) 2.725 5.743 ( -8.170 2.268 -3.265) 9.086 5.830 ( -12.322 -0.592 -3.737) 12.890 6.537 ( 4.097 0.084 3.146) 5.166 6.614 ( 5.496 0.769 1.557) 5.763 6.749 ( -0.574 0.547 6.881) 6.926 7.427 ( -8.531 -0.703 -2.522) 8.924 7.798 ( 10.980 -0.339 3.382) 11.494 8.509 ( -16.493 -1.457 -2.603) 16.761 9.551 ( 25.708 -1.115 -0.458) 25.736 9.750 ( 11.192 -6.243 -3.033) 13.170 11.291 ( -7.930 1.444 0.723) 8.092 11.389 ( -11.354 -1.060 0.900) 11.439 14.826 ( 22.376 -0.586 4.443) 22.820 15.680 ( -5.372 -7.038 3.617) 9.564 15.973 ( 9.401 -2.616 -2.098) 9.981 16.947 ( -14.478 2.100 -4.932) 15.438 19.064 ( 11.937 0.553 0.745) 11.973 19.503 ( 19.673 -4.474 -4.888) 20.759 22.899 ( -5.121 9.275 3.538) 11.170 23.493 ( -17.799 0.239 -2.573) 17.986 26.318 ( 25.451 -0.446 1.241) 25.485 26.561 ( 35.691 0.567 -1.295) 35.719 31.168 ( 11.663 -0.053 8.797) 14.609 32.240 ( -15.477 0.900 -3.291) 15.848 32.805 ( -1.788 0.301 -0.451) 1.869 33.463 ( 10.353 0.994 -7.659) 12.917 49.935 ( -20.671 0.144 0.878) 20.690 50.029 ( -21.475 0.744 -0.256) 21.489 78.170 ( 36.837 1.965 1.201) 36.909 78.790 ( 55.423 -15.514 -6.976) 57.975 84.035 ( -6.255 2.058 5.661) 8.684 85.224 ( -34.129 3.836 -9.094) 35.528 107.417 ( -1.035 0.488 0.035) 1.145 107.532 ( -2.972 1.128 -1.063) 3.351 109.582 ( -0.155 -0.105 1.407) 1.420 109.802 ( -0.815 0.201 -1.161) 1.432 ======================= Grid point 159 (60/140) ======================= q-point: ( 0.23 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 8.927 5.837 0.128) 10.666 1.587 ( 10.517 6.207 2.763) 12.520 2.332 ( 1.265 -2.392 3.881) 4.731 2.539 ( 10.603 -5.026 1.867) 11.881 2.787 ( 12.787 1.666 -2.491) 13.134 3.208 ( -3.193 -1.126 -1.527) 3.714 3.259 ( 2.035 2.536 0.528) 3.294 4.231 ( 1.684 -1.561 -4.317) 4.890 4.603 ( 4.468 -0.212 -0.442) 4.495 4.619 ( 5.846 3.860 -3.538) 7.848 4.966 ( 9.456 -0.147 0.569) 9.474 5.118 ( 4.755 -3.500 0.624) 5.937 5.557 ( -11.168 1.055 -1.185) 11.280 5.623 ( -7.243 -0.449 -4.638) 8.613 6.586 ( -2.616 3.100 3.642) 5.452 6.641 ( 3.241 0.473 5.248) 6.187 6.840 ( 7.429 -0.909 5.534) 9.308 7.248 ( -9.254 -0.381 -2.098) 9.497 8.029 ( 7.877 1.194 -1.350) 8.080 8.143 ( -16.233 -3.547 -1.910) 16.726 9.851 ( 1.493 -4.195 0.521) 4.483 10.043 ( 19.292 -2.401 -1.866) 19.530 11.161 ( -4.639 0.675 0.307) 4.698 11.195 ( -6.768 -0.611 0.908) 6.856 15.293 ( 23.927 -0.507 2.636) 24.077 15.519 ( -9.245 -8.050 5.680) 13.510 16.198 ( 11.725 -0.935 -3.644) 12.314 16.677 ( -12.502 1.657 -3.452) 13.075 19.307 ( 12.326 -0.433 1.262) 12.398 19.889 ( 18.978 -3.222 -5.525) 20.026 22.796 ( -5.290 9.669 2.136) 11.226 23.166 ( -14.949 -0.964 -1.746) 15.081 26.878 ( 30.397 -0.094 2.041) 30.466 27.288 ( 37.086 0.344 -2.227) 37.154 31.430 ( 14.621 -0.045 7.595) 16.476 31.955 ( -13.180 1.199 -0.459) 13.242 32.765 ( -2.337 0.298 -0.490) 2.407 33.653 ( 8.869 0.991 -7.964) 11.961 49.468 ( -25.921 0.098 0.745) 25.932 49.552 ( -26.116 0.726 -0.204) 26.127 78.975 ( 43.672 2.710 2.276) 43.815 79.859 ( 51.184 -16.790 -8.172) 54.484 83.892 ( -8.178 1.625 2.692) 8.762 84.510 ( -37.345 3.421 -4.610) 37.784 107.398 ( -0.831 0.366 0.133) 0.918 107.473 ( -2.918 0.913 -0.559) 3.108 109.579 ( -0.133 -0.046 1.197) 1.205 109.785 ( -0.903 0.137 -1.091) 1.423 ======================= Grid point 160 (61/140) ======================= q-point: ( 0.31 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 11.596 0.569 2.001) 11.782 1.807 ( 10.936 5.000 1.208) 12.085 2.354 ( 1.586 -0.842 6.852) 7.083 2.667 ( 3.323 0.528 1.900) 3.864 3.003 ( 9.346 1.800 -0.972) 9.568 3.181 ( 0.374 -1.408 -6.588) 6.747 3.386 ( 8.680 -0.719 0.006) 8.710 4.265 ( 2.034 -3.466 -3.622) 5.410 4.585 ( -1.905 3.635 -2.357) 4.732 4.731 ( 3.377 -3.059 -1.941) 4.953 5.109 ( 2.992 1.500 0.699) 3.419 5.193 ( 1.047 -1.993 0.260) 2.266 5.351 ( -8.766 1.086 0.234) 8.836 5.559 ( 1.061 -2.261 -5.889) 6.396 6.502 ( -4.538 2.656 3.971) 6.589 6.726 ( 3.907 0.373 7.877) 8.800 6.967 ( 2.440 1.610 1.755) 3.409 7.083 ( -5.075 -0.256 0.364) 5.095 7.720 ( -18.259 -2.794 -0.864) 18.492 8.276 ( 9.775 -0.961 -4.104) 10.645 9.786 ( -6.597 -3.036 2.495) 7.679 10.285 ( 4.728 -1.543 -3.073) 5.846 11.131 ( 0.426 -0.206 0.384) 0.610 11.164 ( 4.669 -0.176 0.856) 4.750 15.335 ( -8.451 -7.802 5.744) 12.857 15.744 ( 20.549 -0.634 0.549) 20.567 16.400 ( 6.558 0.694 -2.927) 7.215 16.474 ( -6.023 -0.163 -2.288) 6.445 19.535 ( 10.431 -1.604 2.018) 10.744 20.231 ( 15.377 -1.024 -5.437) 16.342 22.689 ( -5.739 9.527 1.041) 11.171 22.921 ( -9.594 -1.512 -1.445) 9.819 27.474 ( 29.066 0.315 2.632) 29.187 27.981 ( 32.396 -0.066 -2.684) 32.507 31.720 ( 2.163 1.114 4.056) 4.730 31.739 ( 3.547 0.241 4.171) 5.481 32.710 ( -3.303 0.353 -0.557) 3.368 33.807 ( 6.649 0.773 -8.085) 10.496 48.951 ( -25.637 0.086 0.618) 25.645 49.036 ( -25.270 0.462 -0.307) 25.276 79.845 ( 43.879 2.612 3.059) 44.063 80.763 ( 40.195 -13.231 -6.876) 42.872 83.702 ( -15.960 2.635 -0.635) 16.189 83.797 ( -29.666 0.231 -1.129) 29.688 107.385 ( -0.497 0.234 0.119) 0.563 107.420 ( -2.382 0.470 -0.192) 2.436 109.577 ( -0.094 -0.019 1.027) 1.032 109.768 ( -0.802 0.059 -1.028) 1.305 ======================= Grid point 161 (62/140) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 10.323 -1.318 2.036) 10.604 1.996 ( 7.899 3.175 0.931) 8.564 2.405 ( 3.547 4.590 7.901) 9.802 2.709 ( 1.067 4.596 0.871) 4.798 3.116 ( 1.843 -2.122 -6.463) 7.047 3.252 ( 6.689 1.179 -1.121) 6.884 3.534 ( 5.783 -2.622 -0.914) 6.415 4.311 ( 2.488 -6.404 -5.080) 8.544 4.548 ( -1.890 2.485 -1.849) 3.629 4.776 ( 1.784 -6.233 -2.114) 6.819 5.056 ( -5.942 -0.652 2.705) 6.561 5.159 ( -4.674 1.226 -1.359) 5.020 5.266 ( -0.006 1.499 1.136) 1.881 5.613 ( 2.856 -2.631 -5.842) 7.015 6.424 ( -3.227 1.467 4.268) 5.548 6.725 ( -6.739 0.336 2.235) 7.107 6.882 ( -2.516 3.870 10.648) 11.606 7.130 ( 4.056 -1.076 -0.716) 4.257 7.453 ( -8.413 -0.896 -2.385) 8.790 8.431 ( 5.879 -2.246 -5.280) 8.214 9.645 ( -6.643 -1.088 3.554) 7.612 10.295 ( -1.625 -2.150 -3.267) 4.235 11.151 ( 1.273 -0.467 1.270) 1.858 11.313 ( 8.072 0.227 -0.413) 8.085 15.194 ( -5.679 -7.773 5.943) 11.313 16.075 ( 12.068 -0.380 -2.527) 12.335 16.332 ( -3.380 0.446 -0.290) 3.421 16.566 ( 5.750 -0.252 -2.368) 6.224 19.708 ( 6.957 -2.437 2.757) 7.870 20.483 ( 10.015 0.635 -5.167) 11.287 22.574 ( -5.424 7.210 0.566) 9.040 22.790 ( -4.101 0.273 -1.719) 4.455 27.979 ( 21.152 0.687 2.987) 21.373 28.527 ( 22.212 -0.578 -2.827) 22.399 31.575 ( -5.840 1.259 3.674) 7.013 32.023 ( 13.939 0.254 5.574) 15.014 32.630 ( -4.901 0.504 -0.940) 5.015 33.912 ( 4.017 0.554 -8.112) 9.070 48.501 ( -19.046 0.113 0.538) 19.054 48.596 ( -18.491 0.183 -0.466) 18.498 80.676 ( 39.916 2.154 3.190) 40.101 81.428 ( 26.954 -8.977 -4.424) 28.752 83.066 ( -34.408 1.285 1.413) 34.461 83.557 ( -8.429 -0.759 -3.890) 9.315 107.377 ( -0.670 0.253 0.066) 0.720 107.383 ( -1.113 -0.045 0.043) 1.115 109.575 ( -0.055 -0.009 0.913) 0.914 109.755 ( -0.548 -0.007 -0.977) 1.120 ======================= Grid point 162 (63/140) ======================= q-point: ( 0.46 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 4.092 -0.958 1.302) 4.400 2.105 ( 2.968 1.127 1.276) 3.422 2.475 ( 2.695 11.488 7.934) 14.219 2.710 ( -0.618 3.433 -0.031) 3.488 3.131 ( 0.254 -1.541 -7.348) 7.512 3.365 ( 3.423 -0.849 0.737) 3.603 3.612 ( 2.111 -2.009 -1.570) 3.310 4.354 ( 1.503 -8.866 -8.224) 12.187 4.512 ( -1.380 2.327 0.267) 2.718 4.811 ( 1.489 -8.576 -2.628) 9.093 4.952 ( -3.527 -1.613 3.017) 4.914 5.080 ( -2.508 -0.083 0.282) 2.525 5.271 ( 0.076 3.637 0.692) 3.703 5.652 ( 1.033 -2.222 -5.481) 6.004 6.378 ( -1.272 0.743 4.288) 4.534 6.569 ( -5.405 0.477 2.307) 5.896 6.879 ( 0.344 2.247 14.006) 14.189 7.180 ( 1.040 0.630 -2.609) 2.879 7.366 ( -1.518 1.163 -3.775) 4.232 8.507 ( 1.928 -3.579 -5.865) 7.137 9.551 ( -2.510 0.515 4.173) 4.897 10.267 ( -0.806 -2.823 -3.286) 4.406 11.170 ( 0.551 -0.424 1.776) 1.907 11.430 ( 3.180 0.400 -1.153) 3.407 15.117 ( -1.979 -7.724 6.106) 10.043 16.182 ( 0.512 0.014 -5.116) 5.141 16.344 ( 2.619 -0.279 1.618) 3.091 16.643 ( 1.976 0.033 -2.106) 2.888 19.802 ( 2.445 -2.831 3.215) 4.933 20.618 ( 3.486 1.445 -4.984) 6.252 22.496 ( -2.136 5.449 0.481) 5.872 22.741 ( -1.101 1.736 -2.092) 2.933 28.270 ( 7.779 0.919 3.140) 8.439 28.829 ( 7.913 -0.951 -2.835) 8.459 31.498 ( -1.941 1.235 4.638) 5.177 32.258 ( 8.954 0.272 7.129) 11.449 32.520 ( -5.567 0.749 -3.136) 6.433 33.965 ( 1.324 0.424 -8.105) 8.224 48.237 ( -7.074 0.143 0.507) 7.093 48.341 ( -6.813 0.016 -0.580) 6.837 81.369 ( 26.853 2.259 2.257) 27.042 81.806 ( 10.971 -6.523 -2.176) 12.948 82.442 ( -25.775 0.334 3.745) 26.047 83.428 ( -3.902 -1.579 -6.537) 7.775 107.359 ( -0.532 -0.041 0.187) 0.565 107.377 ( -0.070 -0.022 -0.001) 0.074 109.575 ( -0.018 -0.005 0.856) 0.856 109.747 ( -0.194 -0.044 -0.948) 0.969 ======================= Grid point 169 (64/140) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 0.000 6.038) 6.038 1.615 ( 0.000 0.000 3.721) 3.721 1.935 ( 0.000 0.000 -17.942) 17.942 1.971 ( 0.000 0.000 -0.166) 0.166 2.360 ( 0.000 0.000 0.783) 0.783 3.370 ( 0.000 -0.000 5.615) 5.615 3.675 ( 0.000 0.000 -0.580) 0.580 3.759 ( 0.000 -0.000 -1.381) 1.381 3.897 ( 0.000 0.000 5.519) 5.519 4.299 ( 0.000 0.000 -8.995) 8.995 4.997 ( 0.000 -0.000 0.295) 0.295 5.133 ( 0.000 0.000 6.981) 6.981 6.083 ( 0.000 0.000 -4.314) 4.314 6.188 ( 0.000 0.000 1.334) 1.334 6.217 ( 0.000 -0.000 -6.267) 6.267 6.431 ( 0.000 0.000 -1.212) 1.212 6.821 ( 0.000 0.000 4.808) 4.808 7.551 ( 0.000 0.000 13.626) 13.626 7.623 ( 0.000 -0.000 -2.651) 2.651 8.832 ( 0.000 0.000 0.328) 0.328 8.881 ( 0.000 -0.000 -0.233) 0.233 9.356 ( 0.000 0.000 -10.629) 10.629 11.523 ( 0.000 0.000 1.329) 1.329 11.649 ( 0.000 0.000 1.112) 1.112 14.305 ( 0.000 -0.000 6.228) 6.228 15.548 ( 0.000 0.000 -6.448) 6.448 15.878 ( 0.000 0.000 8.982) 8.982 17.335 ( 0.000 0.000 -7.563) 7.563 18.778 ( 0.000 0.000 0.743) 0.743 18.998 ( 0.000 0.000 -1.921) 1.921 23.121 ( 0.000 0.000 4.904) 4.904 24.035 ( 0.000 -0.000 -4.346) 4.346 25.660 ( 0.000 0.000 1.232) 1.232 25.756 ( 0.000 0.000 0.074) 0.074 30.921 ( 0.000 0.000 9.875) 9.875 32.725 ( 0.000 0.000 -8.818) 8.818 32.849 ( 0.000 0.000 -0.888) 0.888 33.113 ( 0.000 0.000 -5.028) 5.028 50.372 ( 0.000 0.000 1.095) 1.095 50.491 ( 0.000 -0.000 -0.533) 0.533 77.362 ( 0.000 0.000 -0.061) 0.061 77.369 ( 0.000 -0.000 -0.139) 0.139 84.194 ( 0.000 0.000 8.177) 8.177 86.029 ( 0.000 0.000 -14.341) 14.341 107.450 ( 0.000 0.000 -0.086) 0.086 107.612 ( 0.000 -0.000 -1.627) 1.627 109.584 ( 0.000 0.000 1.484) 1.484 109.823 ( 0.000 0.000 -1.321) 1.321 ======================= Grid point 171 (65/140) ======================= q-point: ( 0.08 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 5.317 0.000 5.345) 7.539 1.721 ( -10.399 0.000 -8.998) 13.751 1.777 ( 14.986 -0.000 3.321) 15.349 2.217 ( 14.109 0.000 -6.746) 15.639 2.355 ( -0.446 0.000 1.147) 1.231 3.311 ( -4.131 0.000 3.553) 5.449 3.616 ( -10.537 0.000 3.107) 10.986 3.869 ( 16.092 -0.000 -0.838) 16.114 4.067 ( 13.490 -0.000 1.516) 13.575 4.317 ( 2.316 0.000 -7.903) 8.235 4.959 ( -3.174 0.000 -0.223) 3.182 5.104 ( -2.693 0.000 5.982) 6.560 5.981 ( -8.906 0.000 -4.552) 10.002 6.005 ( -9.827 -0.000 -3.339) 10.379 6.424 ( 11.236 0.000 0.466) 11.245 6.466 ( 3.037 -0.000 0.376) 3.060 6.804 ( -1.660 0.000 4.418) 4.720 7.564 ( -5.697 0.000 -2.658) 6.287 7.608 ( 6.063 -0.000 10.425) 12.060 8.752 ( -8.532 -0.000 -1.704) 8.700 9.078 ( 18.678 0.000 -0.151) 18.678 9.468 ( 10.333 -0.000 -7.295) 12.649 11.460 ( -6.074 0.000 1.122) 6.177 11.568 ( -7.748 0.000 1.137) 7.831 14.450 ( 14.063 0.000 5.737) 15.188 15.618 ( 5.196 0.000 -4.590) 6.933 15.850 ( -1.358 0.000 6.889) 7.022 17.222 ( -10.604 0.000 -6.719) 12.553 18.867 ( 8.273 0.000 0.527) 8.290 19.129 ( 12.695 0.000 -2.593) 12.957 23.085 ( -3.415 0.000 4.310) 5.499 23.848 ( -16.205 -0.000 -3.295) 16.537 25.907 ( 14.860 -0.000 0.471) 14.867 25.943 ( 25.859 0.000 0.120) 25.859 30.986 ( 6.487 -0.000 9.606) 11.592 32.546 ( -14.138 0.000 -6.316) 15.485 32.838 ( -1.112 0.000 -0.843) 1.395 33.258 ( 10.813 0.000 -6.715) 12.728 50.258 ( -11.429 -0.000 1.053) 11.478 50.370 ( -12.018 -0.000 -0.443) 12.026 77.590 ( 22.452 0.000 0.122) 22.452 77.735 ( 35.148 -0.000 -1.682) 35.188 84.158 ( -3.586 0.000 7.424) 8.245 85.814 ( -20.947 -0.000 -12.682) 24.487 107.442 ( -0.792 0.000 -0.015) 0.792 107.592 ( -1.886 0.000 -1.448) 2.378 109.583 ( -0.080 0.000 1.430) 1.432 109.818 ( -0.506 0.000 -1.292) 1.387 ======================= Grid point 173 (66/140) ======================= q-point: ( 0.15 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 9.600 0.000 3.763) 10.312 1.568 ( -4.510 0.000 -5.299) 6.958 2.121 ( 17.377 0.000 3.109) 17.653 2.351 ( 0.735 0.000 2.304) 2.419 2.508 ( 15.232 0.000 -4.882) 15.996 3.234 ( -3.487 0.000 0.313) 3.501 3.407 ( -9.246 0.000 4.144) 10.132 4.143 ( 7.819 0.000 -3.789) 8.689 4.368 ( 15.468 -0.000 0.513) 15.476 4.453 ( 12.949 0.000 -4.776) 13.802 4.911 ( -0.650 0.000 -1.193) 1.359 5.044 ( -2.652 0.000 3.834) 4.662 5.788 ( -9.753 0.000 -4.235) 10.633 5.798 ( -11.319 -0.000 -2.551) 11.603 6.538 ( 4.200 -0.000 3.317) 5.352 6.621 ( 8.051 -0.000 2.122) 8.326 6.760 ( -2.214 0.000 5.539) 5.965 7.417 ( -8.708 0.000 -2.511) 9.063 7.791 ( 11.990 0.000 3.536) 12.501 8.496 ( -17.115 0.000 -2.701) 17.327 9.540 ( 26.086 0.000 -0.575) 26.093 9.688 ( 10.052 0.000 -2.741) 10.419 11.310 ( -8.318 0.000 0.614) 8.341 11.374 ( -10.939 0.000 1.136) 10.998 14.819 ( 22.376 0.000 4.466) 22.817 15.605 ( -6.725 0.000 4.846) 8.289 15.948 ( 10.990 0.000 -2.689) 11.315 16.966 ( -14.293 0.000 -5.174) 15.201 19.070 ( 11.580 0.000 0.574) 11.594 19.458 ( 19.600 -0.000 -3.928) 19.990 23.001 ( -4.745 0.000 2.926) 5.575 23.492 ( -18.639 -0.000 -1.943) 18.739 26.314 ( 25.585 -0.000 1.303) 25.618 26.567 ( 35.640 0.000 -1.321) 35.665 31.167 ( 11.608 -0.000 8.821) 14.579 32.249 ( -15.196 0.000 -3.339) 15.559 32.809 ( -1.802 0.000 -0.747) 1.951 33.472 ( 10.497 0.000 -7.687) 13.011 49.936 ( -20.697 -0.000 0.936) 20.718 50.036 ( -21.356 -0.000 -0.291) 21.358 78.196 ( 37.580 0.000 0.735) 37.587 78.631 ( 52.419 -0.000 -4.437) 52.606 84.057 ( -6.478 0.000 5.386) 8.424 85.260 ( -33.750 -0.000 -8.853) 34.891 107.422 ( -1.087 0.000 0.115) 1.093 107.543 ( -2.947 0.000 -1.037) 3.125 109.581 ( -0.118 0.000 1.297) 1.302 109.804 ( -0.838 0.000 -1.220) 1.480 ======================= Grid point 175 (67/140) ======================= q-point: ( 0.23 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 3.659 0.000 -0.989) 3.790 1.649 ( 11.202 0.000 2.242) 11.425 2.301 ( 1.704 -0.000 5.275) 5.543 2.487 ( 11.571 0.000 2.708) 11.883 2.798 ( 13.626 0.000 -3.091) 13.972 3.181 ( -1.656 0.000 -3.422) 3.802 3.304 ( -0.466 0.000 2.121) 2.171 4.211 ( 1.234 0.000 -3.440) 3.655 4.597 ( 6.575 0.000 0.140) 6.577 4.672 ( 4.572 -0.000 -5.456) 7.118 4.979 ( 7.813 -0.000 -1.531) 7.961 5.062 ( 5.664 0.000 2.702) 6.276 5.569 ( -11.472 -0.000 -1.138) 11.529 5.615 ( -7.445 0.000 -4.223) 8.560 6.630 ( 5.101 0.000 6.372) 8.162 6.636 ( -4.715 -0.000 2.551) 5.361 6.831 ( 8.027 -0.000 4.963) 9.437 7.242 ( -8.588 0.000 -2.016) 8.822 8.043 ( 12.667 0.000 -1.455) 12.751 8.104 ( -21.772 -0.000 -1.617) 21.832 9.808 ( 1.439 0.000 0.593) 1.556 10.019 ( 20.341 0.000 -1.906) 20.431 11.172 ( -4.812 0.000 0.211) 4.817 11.184 ( -6.892 -0.000 1.150) 6.988 15.288 ( 24.198 -0.000 2.681) 24.346 15.434 ( -9.517 0.000 6.197) 11.357 16.189 ( 12.232 0.000 -3.622) 12.758 16.692 ( -12.957 0.000 -3.775) 13.496 19.302 ( 11.677 0.000 1.197) 11.739 19.857 ( 20.046 -0.000 -4.881) 20.632 22.909 ( -4.338 0.000 1.331) 4.538 23.144 ( -16.295 -0.000 -1.000) 16.325 26.877 ( 30.607 -0.000 2.089) 30.678 27.292 ( 36.903 0.000 -2.225) 36.970 31.430 ( 14.676 -0.000 7.641) 16.546 31.967 ( -13.095 0.000 -0.573) 13.108 32.768 ( -2.338 0.000 -0.653) 2.428 33.663 ( 8.808 0.000 -8.041) 11.926 49.469 ( -25.938 -0.000 0.781) 25.950 49.559 ( -26.202 -0.000 -0.240) 26.204 79.010 ( 43.790 0.000 1.660) 43.822 79.681 ( 52.046 -0.000 -5.830) 52.372 83.909 ( -8.417 0.000 2.550) 8.794 84.542 ( -37.962 -0.000 -4.753) 38.259 107.402 ( -0.907 0.000 0.176) 0.924 107.482 ( -3.101 0.000 -0.592) 3.157 109.579 ( -0.113 0.000 1.140) 1.146 109.787 ( -0.943 -0.000 -1.132) 1.474 ======================= Grid point 177 (68/140) ======================= q-point: ( 0.31 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 9.467 0.000 1.741) 9.626 1.863 ( 10.152 0.000 1.343) 10.241 2.342 ( 3.553 -0.000 6.660) 7.548 2.666 ( 6.638 0.000 2.540) 7.108 3.014 ( 7.252 0.000 -2.696) 7.736 3.189 ( 3.229 0.000 -5.474) 6.355 3.371 ( 5.855 -0.000 0.066) 5.855 4.226 ( 0.552 -0.000 -3.126) 3.174 4.659 ( -3.201 0.000 -4.587) 5.593 4.664 ( 1.677 -0.000 -0.435) 1.732 5.147 ( 7.107 -0.001 -1.373) 7.238 5.148 ( -0.709 0.001 2.504) 2.602 5.365 ( -8.689 -0.000 -0.042) 8.689 5.533 ( 0.104 0.000 -5.895) 5.896 6.532 ( -5.342 0.000 3.780) 6.544 6.726 ( 3.932 0.000 7.902) 8.826 6.989 ( 7.558 -0.000 1.671) 7.741 7.079 ( -8.406 0.000 0.404) 8.416 7.691 ( -18.346 0.000 -0.804) 18.364 8.264 ( 9.344 0.000 -3.835) 10.100 9.756 ( -5.621 0.000 2.489) 6.147 10.268 ( 4.647 0.000 -3.127) 5.601 11.129 ( -0.055 -0.000 0.522) 0.525 11.163 ( 5.064 0.000 0.730) 5.116 15.254 ( -8.457 0.000 6.307) 10.550 15.737 ( 20.674 0.000 0.483) 20.680 16.407 ( 9.692 0.000 -2.986) 10.142 16.470 ( -9.296 -0.000 -2.497) 9.626 19.517 ( 9.896 0.000 2.094) 10.116 20.221 ( 16.423 -0.000 -5.218) 17.232 22.834 ( -3.214 0.000 -0.162) 3.218 22.859 ( -12.446 -0.000 -0.370) 12.452 27.477 ( 29.288 -0.000 2.651) 29.407 27.981 ( 32.121 0.000 -2.644) 32.230 31.731 ( 15.515 -0.000 6.383) 16.777 31.742 ( -9.701 0.000 1.815) 9.869 32.714 ( -3.249 0.000 -0.639) 3.312 33.815 ( 6.531 0.000 -8.148) 10.443 48.952 ( -25.632 -0.000 0.642) 25.640 49.041 ( -25.423 0.000 -0.320) 25.425 79.878 ( 43.582 0.000 2.474) 43.652 80.621 ( 42.517 -0.000 -5.339) 42.851 83.732 ( -9.405 0.000 -0.625) 9.426 83.796 ( -37.453 -0.000 -1.333) 37.477 107.388 ( -0.558 0.000 0.140) 0.575 107.425 ( -2.619 0.000 -0.215) 2.627 109.577 ( -0.086 0.000 1.003) 1.007 109.769 ( -0.842 -0.000 -1.048) 1.344 ======================= Grid point 179 (69/140) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 9.854 0.000 2.306) 10.120 2.034 ( 6.849 -0.000 1.111) 6.938 2.450 ( 7.166 -0.000 6.228) 9.494 2.759 ( 2.516 0.000 1.511) 2.934 3.089 ( 1.830 0.000 -6.091) 6.360 3.290 ( 5.329 0.000 -2.526) 5.897 3.490 ( 5.755 -0.000 -0.206) 5.759 4.238 ( 0.665 -0.000 -5.126) 5.169 4.596 ( -2.779 0.000 -2.279) 3.594 4.687 ( 0.841 -0.000 -1.015) 1.318 5.049 ( -6.979 -0.000 2.449) 7.396 5.171 ( -5.047 0.000 -1.237) 5.197 5.289 ( 1.439 0.000 0.657) 1.582 5.580 ( 3.000 0.000 -6.159) 6.851 6.439 ( -3.855 0.000 4.357) 5.818 6.728 ( -5.882 0.000 2.661) 6.456 6.927 ( -4.431 0.000 10.875) 11.743 7.117 ( 5.202 0.000 -1.059) 5.309 7.444 ( -6.723 0.000 -2.700) 7.245 8.405 ( 5.081 0.000 -4.918) 7.071 9.635 ( -5.613 0.000 3.374) 6.549 10.271 ( -2.087 0.000 -3.204) 3.824 11.146 ( 1.281 -0.000 1.241) 1.784 11.315 ( 8.204 0.000 -0.528) 8.221 15.113 ( -5.637 0.000 6.463) 8.575 16.071 ( 12.220 0.000 -2.619) 12.498 16.336 ( -3.863 0.000 -0.440) 3.888 16.563 ( 6.044 0.000 -2.429) 6.514 19.682 ( 6.654 0.000 2.929) 7.270 20.490 ( 10.648 -0.000 -5.223) 11.860 22.659 ( -7.824 0.000 0.015) 7.824 22.784 ( -1.929 -0.000 -1.337) 2.347 27.986 ( 21.332 -0.000 2.976) 21.538 28.521 ( 21.939 0.000 -2.740) 22.109 31.588 ( -5.859 0.000 3.618) 6.886 32.025 ( 14.020 -0.000 5.663) 15.120 32.636 ( -4.796 0.000 -1.006) 4.900 33.918 ( 3.922 0.000 -8.148) 9.043 48.502 ( -19.027 0.000 0.551) 19.035 48.598 ( -18.617 0.000 -0.457) 18.622 80.703 ( 39.679 0.000 2.712) 39.772 81.330 ( 28.932 -0.000 -3.575) 29.152 83.079 ( -35.148 0.000 1.325) 35.173 83.549 ( -8.827 0.000 -3.828) 9.622 107.380 ( -0.262 -0.000 0.060) 0.269 107.382 ( -1.731 0.000 0.055) 1.732 109.575 ( -0.052 0.000 0.906) 0.908 109.755 ( -0.577 -0.000 -0.980) 1.137 ======================= Grid point 181 (70/140) ======================= q-point: ( 0.46 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 4.284 0.000 1.869) 4.674 2.125 ( 2.332 -0.000 1.127) 2.590 2.598 ( 6.587 0.000 6.073) 8.959 2.754 ( -2.573 0.000 0.289) 2.589 3.112 ( 0.616 0.000 -7.327) 7.353 3.363 ( 1.829 0.000 -0.903) 2.039 3.584 ( 3.044 -0.000 -0.236) 3.053 4.250 ( 0.418 -0.000 -7.888) 7.899 4.559 ( -0.937 0.000 0.139) 0.947 4.697 ( 0.154 0.000 -1.823) 1.830 4.937 ( -3.366 -0.000 2.617) 4.264 5.078 ( -2.977 0.000 0.186) 2.983 5.314 ( 0.657 0.000 0.221) 0.693 5.623 ( 1.178 -0.000 -5.887) 6.004 6.386 ( -1.403 0.000 4.617) 4.826 6.574 ( -5.713 0.000 2.438) 6.211 6.904 ( 0.068 0.000 14.016) 14.016 7.188 ( 1.847 -0.000 -2.655) 3.234 7.378 ( -1.159 0.000 -3.943) 4.110 8.469 ( 1.511 0.000 -5.371) 5.579 9.558 ( -2.010 0.000 3.776) 4.278 10.236 ( -1.030 0.000 -3.134) 3.299 11.166 ( 0.569 0.000 1.716) 1.808 11.434 ( 3.227 0.000 -1.299) 3.479 15.037 ( -1.961 0.000 6.609) 6.894 16.180 ( 0.541 0.000 -5.435) 5.462 16.341 ( 2.517 0.000 1.686) 3.030 16.643 ( 2.039 0.000 -2.153) 2.966 19.772 ( 2.351 0.000 3.430) 4.158 20.633 ( 3.690 -0.000 -5.165) 6.348 22.555 ( -2.679 0.000 0.197) 2.687 22.758 ( -0.641 -0.000 -1.992) 2.093 28.280 ( 7.851 -0.000 3.109) 8.444 28.819 ( 7.795 0.000 -2.716) 8.254 31.511 ( -1.947 0.000 4.610) 5.004 32.261 ( 8.857 0.000 7.241) 11.440 32.528 ( -5.389 0.000 -3.216) 6.276 33.969 ( 1.288 0.000 -8.124) 8.225 48.238 ( -7.064 0.000 0.512) 7.082 48.341 ( -6.860 0.000 -0.559) 6.882 81.399 ( 27.678 0.000 1.796) 27.736 81.731 ( 10.924 -0.000 -1.617) 11.043 82.445 ( -26.023 0.000 3.684) 26.283 83.411 ( -4.225 0.000 -6.403) 7.671 107.359 ( -0.604 -0.000 0.197) 0.635 107.376 ( -0.072 0.000 -0.000) 0.072 109.575 ( -0.017 0.000 0.857) 0.857 109.747 ( -0.205 -0.000 -0.942) 0.964 ======================= Grid point 234 (71/140) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 0.000 19.260) 19.260 0.904 ( 0.000 0.000 20.502) 20.502 1.358 ( 0.000 0.000 20.364) 20.364 1.906 ( 0.000 0.000 -9.665) 9.665 2.425 ( 0.000 0.000 -1.435) 1.435 3.072 ( 0.000 0.000 -5.486) 5.486 3.823 ( 0.000 0.000 -2.846) 2.846 4.007 ( 0.000 0.000 -0.469) 0.469 4.025 ( 0.000 0.000 -1.299) 1.299 4.177 ( 0.000 0.000 -14.177) 14.177 5.268 ( 0.000 0.000 2.834) 2.834 5.346 ( 0.000 0.000 2.145) 2.145 5.642 ( 0.000 0.000 0.811) 0.811 5.844 ( 0.000 0.000 -1.104) 1.104 6.243 ( 0.000 0.000 2.639) 2.639 6.415 ( 0.000 0.000 -1.935) 1.935 6.876 ( 0.000 0.000 6.963) 6.963 7.495 ( 0.000 0.000 -7.852) 7.852 8.681 ( 0.000 0.000 8.185) 8.185 8.764 ( 0.000 0.000 -0.260) 0.260 8.765 ( 0.000 0.000 -0.255) 0.255 9.111 ( 0.000 0.000 -3.806) 3.806 11.486 ( 0.000 0.000 3.851) 3.851 11.710 ( 0.000 0.000 -2.262) 2.262 14.528 ( 0.000 0.000 11.476) 11.476 15.416 ( 0.000 0.000 -12.371) 12.371 16.614 ( 0.000 0.000 4.097) 4.097 16.951 ( 0.000 0.000 -5.018) 5.018 18.776 ( 0.000 0.000 2.533) 2.533 18.970 ( 0.000 0.000 -2.835) 2.835 22.678 ( 0.000 0.000 13.944) 13.944 23.681 ( 0.000 0.000 -12.978) 12.978 25.666 ( 0.000 0.000 2.832) 2.832 25.805 ( 0.000 0.000 -1.004) 1.004 31.198 ( 0.000 0.000 17.784) 17.784 32.480 ( 0.000 0.000 -16.737) 16.737 32.737 ( 0.000 0.000 2.049) 2.049 32.989 ( 0.000 0.000 -4.697) 4.697 50.355 ( 0.000 0.000 1.478) 1.478 50.443 ( 0.000 0.000 -0.916) 0.916 77.364 ( 0.000 0.000 0.035) 0.035 77.375 ( 0.000 0.000 -0.240) 0.240 84.707 ( 0.000 0.000 0.091) 0.091 84.743 ( 0.000 0.000 -0.867) 0.867 107.377 ( 0.000 0.000 0.472) 0.472 107.429 ( 0.000 0.000 -0.938) 0.938 109.697 ( 0.000 0.000 1.111) 1.111 109.779 ( 0.000 0.000 -1.127) 1.127 ======================= Grid point 235 (72/140) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 1.846 0.000 18.476) 18.568 0.930 ( 8.614 0.000 16.345) 18.476 1.666 ( 26.904 0.000 13.578) 30.136 2.021 ( 10.890 0.000 -8.816) 14.011 2.424 ( 0.208 0.000 0.345) 0.402 3.062 ( -1.019 0.000 -5.227) 5.326 3.740 ( -6.810 0.000 -1.578) 6.990 3.982 ( -3.007 0.000 -7.001) 7.619 4.147 ( 10.357 0.000 -1.155) 10.421 4.273 ( 9.726 0.000 -7.490) 12.276 5.216 ( -4.476 0.000 2.714) 5.235 5.313 ( -2.721 0.000 2.917) 3.989 5.579 ( -5.616 0.000 0.446) 5.634 5.687 ( -8.972 0.000 -0.617) 8.993 6.475 ( 5.282 0.000 -0.313) 5.291 6.479 ( 14.495 0.000 -1.202) 14.544 6.858 ( -0.455 0.000 7.480) 7.493 7.450 ( -4.217 0.000 -7.500) 8.605 8.085 ( -20.356 0.000 17.286) 26.705 8.733 ( -5.095 0.000 -4.714) 6.941 9.260 ( 15.652 0.000 0.860) 15.675 9.587 ( 38.445 0.000 -15.030) 41.278 11.410 ( -6.973 0.000 3.741) 7.914 11.616 ( -8.957 0.000 -1.844) 9.145 14.661 ( 12.856 0.000 10.685) 16.717 15.559 ( 12.567 0.000 -14.429) 19.134 16.575 ( -3.777 0.000 3.590) 5.211 16.790 ( -13.381 0.000 -0.198) 13.383 18.858 ( 8.108 0.000 2.865) 8.599 19.196 ( 18.676 0.000 -10.883) 21.616 22.636 ( -4.021 0.000 13.031) 13.637 23.545 ( -12.062 0.000 -11.167) 16.438 25.925 ( 23.971 0.000 0.114) 23.971 25.958 ( 15.045 0.000 -0.174) 15.046 31.263 ( 6.176 0.000 16.240) 17.375 32.311 ( -11.942 0.000 -8.536) 14.679 32.908 ( 12.107 0.000 -5.700) 13.382 32.935 ( -4.485 0.000 -2.011) 4.915 50.245 ( -10.929 0.000 1.305) 11.007 50.310 ( -12.914 0.000 0.013) 12.914 77.593 ( 22.574 0.000 1.993) 22.662 78.124 ( 63.328 0.000 -25.711) 68.349 84.573 ( -12.315 0.000 3.250) 12.736 84.653 ( -9.060 0.000 -0.785) 9.094 107.376 ( -0.090 0.000 0.453) 0.462 107.422 ( -0.573 0.000 -0.694) 0.900 109.677 ( -1.604 0.000 1.864) 2.459 109.775 ( -0.395 0.000 -1.190) 1.254 ======================= Grid point 236 (73/140) ======================= q-point: ( 0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 8.571 0.000 12.217) 14.924 1.162 ( 14.408 0.000 10.700) 17.947 2.236 ( 24.973 0.000 -1.627) 25.026 2.282 ( 14.022 0.000 -7.745) 16.019 2.466 ( 7.419 0.000 8.898) 11.585 3.032 ( -1.900 0.000 -2.667) 3.275 3.583 ( -8.529 0.000 0.197) 8.532 3.929 ( -1.267 0.000 -9.886) 9.967 4.379 ( 12.192 0.000 -0.296) 12.195 4.487 ( 9.943 0.000 -3.746) 10.625 5.138 ( -2.575 0.000 2.224) 3.402 5.277 ( 0.003 0.000 2.859) 2.859 5.453 ( -6.541 0.000 0.566) 6.566 5.552 ( -5.238 0.000 -3.492) 6.295 6.591 ( 5.987 0.000 2.551) 6.508 6.616 ( -0.454 0.000 2.226) 2.272 6.937 ( 7.500 0.000 6.276) 9.780 7.340 ( -6.793 0.000 -6.024) 9.079 7.877 ( -2.057 0.000 11.506) 11.689 8.551 ( -12.859 0.000 -6.704) 14.502 9.665 ( 22.992 0.000 2.874) 23.171 10.126 ( 16.190 0.000 -13.187) 20.881 11.255 ( -7.442 0.000 2.187) 7.757 11.395 ( -12.288 0.000 -0.945) 12.324 14.997 ( 20.174 0.000 8.636) 21.945 15.831 ( 13.624 0.000 -14.408) 19.829 16.476 ( -5.880 0.000 2.507) 6.392 16.517 ( -13.165 0.000 3.428) 13.604 19.079 ( 13.803 0.000 3.485) 14.236 19.570 ( 17.854 0.000 -15.294) 23.509 22.536 ( -5.717 0.000 10.913) 12.320 23.273 ( -14.434 0.000 -8.787) 16.899 26.368 ( 25.738 0.000 1.632) 25.789 26.513 ( 34.010 0.000 -2.795) 34.125 31.422 ( 9.611 0.000 13.333) 16.436 32.078 ( -11.290 0.000 -3.151) 11.721 32.848 ( -3.884 0.000 0.731) 3.953 33.146 ( 11.656 0.000 -9.780) 15.216 49.938 ( -19.818 0.000 0.854) 19.836 49.963 ( -21.650 0.000 0.639) 21.659 78.207 ( 38.286 0.000 6.198) 38.784 79.397 ( 59.939 0.000 -42.006) 73.193 84.287 ( -15.456 0.000 5.729) 16.483 84.397 ( -16.538 0.000 -0.351) 16.542 107.374 ( -0.148 0.000 0.407) 0.433 107.410 ( -0.636 0.000 -0.430) 0.767 109.646 ( -1.378 0.000 2.361) 2.734 109.765 ( -0.655 0.000 -1.341) 1.492 ======================= Grid point 237 (74/140) ======================= q-point: ( 0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 13.319 0.000 6.043) 14.626 1.473 ( 16.509 0.000 5.471) 17.392 2.428 ( 3.640 0.000 -1.287) 3.860 2.499 ( 6.019 0.000 -6.004) 8.501 2.867 ( 23.016 0.000 3.768) 23.323 3.000 ( -0.821 0.000 3.014) 3.124 3.447 ( -3.912 0.000 0.723) 3.979 3.958 ( 4.682 0.000 -11.208) 12.147 4.599 ( 9.951 0.000 -0.480) 9.963 4.612 ( 2.601 0.000 -0.611) 2.671 5.117 ( -0.437 0.000 1.758) 1.812 5.320 ( 2.741 0.000 2.288) 3.570 5.345 ( -3.740 0.000 1.786) 4.144 5.478 ( -1.335 0.000 -6.135) 6.279 6.562 ( -3.772 0.000 5.370) 6.563 6.695 ( 4.157 0.000 4.273) 5.961 7.054 ( 3.858 0.000 6.624) 7.666 7.190 ( -8.141 0.000 -2.536) 8.526 7.954 ( 8.372 0.000 0.074) 8.372 8.247 ( -17.540 0.000 -5.341) 18.335 10.077 ( 16.919 0.000 0.762) 16.936 10.247 ( -2.769 0.000 -4.033) 4.892 11.165 ( -1.238 0.000 -0.310) 1.276 11.189 ( -7.063 0.000 0.109) 7.063 15.413 ( 21.035 0.000 5.685) 21.789 16.041 ( 4.990 0.000 -10.589) 11.705 16.319 ( -4.358 0.000 3.293) 5.463 16.358 ( -5.693 0.000 1.681) 5.936 19.378 ( 15.959 0.000 3.836) 16.413 19.884 ( 14.129 0.000 -13.265) 19.381 22.424 ( -5.404 0.000 8.511) 10.081 23.001 ( -12.828 0.000 -6.974) 14.601 26.932 ( 30.518 0.000 3.435) 30.710 27.216 ( 36.370 0.000 -4.386) 36.633 31.631 ( 11.384 0.000 9.747) 14.987 31.875 ( -9.188 0.000 1.124) 9.257 32.783 ( -2.939 0.000 2.265) 3.710 33.358 ( 9.744 0.000 -12.091) 15.529 49.483 ( -26.361 0.000 0.686) 26.370 49.491 ( -24.807 0.000 0.262) 24.809 79.040 ( 44.992 0.000 9.693) 46.025 80.417 ( 44.153 0.000 -36.181) 57.084 83.990 ( -14.473 0.000 3.617) 14.919 84.016 ( -21.803 0.000 0.766) 21.816 107.370 ( -0.163 0.000 0.356) 0.391 107.398 ( -0.541 0.000 -0.306) 0.621 109.625 ( -0.857 0.000 2.193) 2.355 109.751 ( -0.728 0.000 -1.499) 1.666 ======================= Grid point 238 (75/140) ======================= q-point: ( 0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 14.243 0.000 3.035) 14.562 1.789 ( 15.093 0.000 1.404) 15.158 2.496 ( -4.862 0.000 5.577) 7.399 2.504 ( 4.208 0.000 2.179) 4.739 3.002 ( 0.358 0.000 -2.108) 2.138 3.218 ( 12.490 0.000 -3.785) 13.051 3.460 ( 4.675 0.000 4.069) 6.197 4.113 ( 10.310 0.000 -12.168) 15.949 4.616 ( -1.319 0.000 1.575) 2.054 4.774 ( 7.961 0.000 -2.803) 8.440 5.089 ( -2.177 0.000 2.107) 3.030 5.303 ( -3.440 0.000 1.486) 3.747 5.317 ( 0.152 0.000 3.433) 3.436 5.533 ( 4.906 0.000 -6.103) 7.830 6.488 ( -3.397 0.000 6.464) 7.302 6.734 ( -0.886 0.000 2.399) 2.557 7.043 ( -5.719 0.000 4.329) 7.173 7.108 ( 2.156 0.000 2.887) 3.603 7.880 ( -19.188 0.000 -1.947) 19.286 8.151 ( 10.581 0.000 -7.290) 12.849 10.090 ( -11.182 0.000 2.034) 11.366 10.283 ( 4.241 0.000 -3.058) 5.229 11.162 ( 4.089 0.000 0.889) 4.185 11.186 ( 2.405 0.000 0.050) 2.406 15.785 ( 15.628 0.000 1.771) 15.728 15.982 ( -6.862 0.000 -0.788) 6.907 16.271 ( -2.459 0.000 1.986) 3.161 16.389 ( 7.256 0.000 -3.201) 7.931 19.684 ( 14.542 0.000 3.785) 15.026 20.128 ( 10.644 0.000 -9.979) 14.591 22.329 ( -4.182 0.000 6.328) 7.585 22.777 ( -9.842 0.000 -5.660) 11.354 27.528 ( 28.939 0.000 4.817) 29.337 27.906 ( 32.749 0.000 -5.414) 33.194 31.720 ( -6.586 0.000 4.771) 8.132 31.861 ( 11.754 0.000 5.307) 12.896 32.725 ( -3.079 0.000 4.234) 5.235 33.525 ( 7.213 0.000 -13.497) 15.304 48.960 ( -25.823 0.000 0.715) 25.833 48.996 ( -24.421 0.000 -0.349) 24.424 79.931 ( 44.557 0.000 10.958) 45.885 81.163 ( 32.219 0.000 -25.530) 41.107 83.551 ( -25.150 0.000 2.693) 25.294 83.720 ( -12.980 0.000 -1.107) 13.027 107.367 ( -0.139 0.000 0.315) 0.344 107.389 ( -0.416 0.000 -0.221) 0.471 109.611 ( -0.506 0.000 1.897) 1.963 109.737 ( -0.634 0.000 -1.617) 1.737 ======================= Grid point 239 (76/140) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 11.083 0.000 2.528) 11.368 2.047 ( 10.652 0.000 0.068) 10.652 2.379 ( -5.762 0.000 15.725) 16.747 2.587 ( 3.930 0.000 3.867) 5.513 3.005 ( 0.147 0.000 -7.926) 7.927 3.386 ( 5.354 0.000 -9.125) 10.580 3.577 ( 5.892 0.000 7.779) 9.759 4.315 ( 9.024 0.000 -12.388) 15.326 4.587 ( -1.243 0.000 2.813) 3.075 4.911 ( 5.700 0.000 -5.662) 8.034 5.059 ( -0.329 0.000 3.392) 3.408 5.235 ( -2.910 0.000 2.185) 3.639 5.315 ( -0.777 0.000 3.798) 3.877 5.602 ( 1.616 0.000 -5.856) 6.075 6.436 ( -1.819 0.000 5.404) 5.702 6.652 ( -6.229 0.000 -0.015) 6.229 6.997 ( 0.708 0.000 9.537) 9.564 7.145 ( 1.539 0.000 -2.084) 2.591 7.517 ( -16.987 0.000 3.427) 17.330 8.344 ( 8.508 0.000 -11.886) 14.617 9.867 ( -10.396 0.000 6.079) 12.042 10.305 ( -0.409 0.000 -5.634) 5.649 11.234 ( 2.141 0.000 1.778) 2.783 11.285 ( 6.599 0.000 0.185) 6.602 15.859 ( -5.054 0.000 1.874) 5.391 15.978 ( 3.743 0.000 -2.214) 4.348 16.297 ( 5.026 0.000 3.142) 5.928 16.517 ( 5.197 0.000 -3.405) 6.213 19.931 ( 10.109 0.000 3.540) 10.711 20.301 ( 6.804 0.000 -7.274) 9.960 22.261 ( -2.631 0.000 4.662) 5.353 22.618 ( -6.187 0.000 -4.830) 7.849 28.029 ( 20.912 0.000 5.700) 21.675 28.465 ( 23.029 0.000 -6.081) 23.819 31.617 ( -3.868 0.000 7.544) 8.478 32.082 ( 10.326 0.000 -0.201) 10.327 32.657 ( -3.840 0.000 7.700) 8.604 33.640 ( 4.375 0.000 -14.280) 14.935 48.508 ( -19.115 0.000 0.811) 19.132 48.569 ( -18.041 0.000 -0.866) 18.062 80.764 ( 39.271 0.000 10.025) 40.530 81.697 ( 21.941 0.000 -15.722) 26.992 83.037 ( -26.687 0.000 5.371) 27.222 83.483 ( -10.805 0.000 -6.917) 12.830 107.365 ( -0.092 0.000 0.288) 0.303 107.382 ( -0.264 0.000 -0.151) 0.304 109.604 ( -0.271 0.000 1.667) 1.689 109.727 ( -0.425 0.000 -1.686) 1.739 ======================= Grid point 240 (77/140) ======================= q-point: ( 0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 4.233 0.000 2.880) 5.119 2.202 ( 5.233 0.000 7.868) 9.449 2.288 ( -3.632 0.000 12.049) 12.585 2.646 ( 1.677 0.000 4.774) 5.060 3.009 ( 0.178 0.000 -9.266) 9.267 3.449 ( 1.397 0.000 -12.525) 12.603 3.661 ( 2.305 0.000 9.458) 9.735 4.442 ( 3.522 0.000 -12.326) 12.820 4.570 ( -0.563 0.000 4.583) 4.618 4.984 ( 1.617 0.000 -5.330) 5.570 5.077 ( 1.437 0.000 3.600) 3.876 5.201 ( -0.549 0.000 2.260) 2.326 5.291 ( -1.185 0.000 2.128) 2.435 5.604 ( -0.653 0.000 -5.754) 5.791 6.416 ( -0.359 0.000 3.753) 3.770 6.549 ( -3.191 0.000 0.827) 3.297 7.052 ( 4.636 0.000 4.969) 6.796 7.166 ( 0.568 0.000 -5.040) 5.072 7.238 ( -10.644 0.000 12.389) 16.333 8.467 ( 3.449 0.000 -15.157) 15.545 9.715 ( -4.271 0.000 9.345) 10.274 10.297 ( -0.242 0.000 -6.812) 6.816 11.263 ( 0.777 0.000 2.848) 2.952 11.380 ( 2.613 0.000 -0.639) 2.690 15.791 ( -1.752 0.000 2.805) 3.307 15.998 ( -0.072 0.000 -2.716) 2.717 16.394 ( 3.138 0.000 2.087) 3.769 16.586 ( 1.774 0.000 -3.032) 3.513 20.068 ( 3.618 0.000 3.351) 4.931 20.392 ( 2.363 0.000 -5.781) 6.245 22.226 ( -0.903 0.000 3.753) 3.861 22.536 ( -2.116 0.000 -4.441) 4.919 28.317 ( 7.658 0.000 6.116) 9.801 28.780 ( 8.328 0.000 -6.414) 10.512 31.567 ( -1.259 0.000 9.071) 9.158 32.246 ( 5.328 0.000 -7.567) 9.255 32.583 ( -2.916 0.000 13.927) 14.229 33.697 ( 1.456 0.000 -14.619) 14.691 48.243 ( -7.090 0.000 0.899) 7.146 48.319 ( -6.675 0.000 -1.170) 6.777 81.421 ( 23.894 0.000 7.274) 24.977 82.007 ( 8.670 0.000 -8.544) 12.172 82.548 ( -19.564 0.000 8.845) 21.471 83.318 ( -4.989 0.000 -12.227) 13.205 107.364 ( -0.032 0.000 0.276) 0.278 107.379 ( -0.091 0.000 -0.110) 0.143 109.600 ( -0.086 0.000 1.548) 1.550 109.721 ( -0.149 0.000 -1.717) 1.723 ======================= Grid point 247 (78/140) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 -1.627 19.310) 19.379 1.021 ( 0.000 10.718 17.510) 20.530 1.487 ( 0.000 9.296 11.219) 14.570 1.924 ( 0.000 1.691 -8.834) 8.994 2.427 ( 0.000 0.771 1.849) 2.003 3.153 ( 0.000 6.360 -6.722) 9.254 3.809 ( 0.000 -0.923 -1.293) 1.589 3.960 ( 0.000 -4.425 -0.474) 4.450 3.985 ( 0.000 -3.822 -1.306) 4.039 4.154 ( 0.000 -0.897 -10.739) 10.777 5.145 ( 0.000 -6.971 5.212) 8.704 5.290 ( 0.000 -2.817 1.448) 3.168 5.724 ( 0.000 3.573 -0.907) 3.686 6.018 ( 0.000 11.871 -5.949) 13.278 6.240 ( 0.000 -0.264 2.596) 2.609 6.412 ( 0.000 -0.271 -1.989) 2.007 6.891 ( 0.000 1.367 6.932) 7.066 7.504 ( 0.000 0.859 -7.653) 7.701 8.503 ( 0.000 -14.254 13.585) 19.691 8.769 ( 0.000 0.916 0.040) 0.917 8.788 ( 0.000 1.710 -0.458) 1.770 9.139 ( 0.000 0.937 -8.140) 8.194 11.492 ( 0.000 0.758 4.044) 4.114 11.718 ( 0.000 0.340 -2.127) 2.154 14.523 ( 0.000 -0.501 11.462) 11.473 15.407 ( 0.000 -0.853 -12.269) 12.299 16.554 ( 0.000 -6.486 5.744) 8.664 17.010 ( 0.000 4.979 -8.858) 10.161 18.779 ( 0.000 0.340 2.364) 2.388 18.967 ( 0.000 -0.315 -2.827) 2.845 22.771 ( 0.000 8.608 12.933) 15.535 23.706 ( 0.000 2.683 -12.032) 12.328 25.668 ( 0.000 0.251 2.699) 2.710 25.799 ( 0.000 -0.565 -0.906) 1.068 31.200 ( 0.000 0.206 17.736) 17.737 32.477 ( 0.000 -0.276 -16.649) 16.651 32.762 ( 0.000 1.951 0.857) 2.131 32.993 ( 0.000 0.313 -5.306) 5.316 50.366 ( 0.000 0.911 1.226) 1.527 50.453 ( 0.000 0.776 -1.151) 1.388 77.364 ( 0.000 -0.061 0.024) 0.065 77.373 ( 0.000 -0.117 -0.236) 0.263 84.439 ( 0.000 -7.650 11.410) 13.737 85.165 ( 0.000 20.217 -17.130) 26.498 107.394 ( 0.000 1.304 -0.039) 1.305 107.461 ( 0.000 2.887 -1.854) 3.431 109.677 ( 0.000 -1.549 1.878) 2.435 109.782 ( 0.000 0.146 -1.396) 1.404 ======================= Grid point 248 (79/140) ======================= q-point: ( 0.08 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 7.716 -0.327 16.475) 18.195 1.059 ( 3.899 9.893 14.656) 18.107 1.738 ( 22.652 5.263 6.888) 24.254 2.041 ( 11.045 1.846 -7.982) 13.751 2.432 ( 0.942 1.277 3.581) 3.917 3.127 ( -2.387 5.226 -5.981) 8.294 3.716 ( -7.156 -1.975 -0.305) 7.430 3.977 ( -1.247 -0.491 -6.202) 6.345 4.120 ( 11.999 -2.654 -1.131) 12.341 4.240 ( 9.499 -2.437 -6.148) 11.575 5.115 ( -2.695 -6.519 5.208) 8.768 5.243 ( -3.608 -3.468 1.693) 5.283 5.668 ( -4.856 3.655 -1.866) 6.358 5.812 ( -12.265 9.763 -2.597) 15.890 6.461 ( 9.215 -0.861 -0.428) 9.265 6.490 ( 9.809 0.425 -1.009) 9.870 6.873 ( -0.509 1.366 7.464) 7.605 7.459 ( -4.354 0.740 -7.290) 8.523 8.073 ( -17.781 -1.375 16.505) 24.299 8.728 ( -6.619 -0.590 -4.810) 8.204 9.205 ( 19.989 -4.816 1.001) 20.586 9.514 ( 32.095 -5.762 -11.810) 34.681 11.421 ( -6.718 1.020 3.701) 7.737 11.624 ( -8.936 0.422 -1.688) 9.104 14.656 ( 12.844 -0.512 10.666) 16.703 15.535 ( 11.543 -2.009 -13.318) 17.738 16.497 ( -5.661 -7.304 5.809) 10.915 16.871 ( -11.597 6.341 -4.943) 14.112 18.862 ( 8.121 0.413 2.625) 8.544 19.167 ( 17.188 -2.478 -8.839) 19.486 22.725 ( -4.393 8.280 12.103) 15.308 23.572 ( -11.997 2.705 -10.468) 16.150 25.922 ( 23.166 -0.264 0.445) 23.172 25.956 ( 15.761 -0.222 -0.145) 15.764 31.262 ( 5.984 -0.031 16.437) 17.492 32.325 ( -11.451 1.107 -9.854) 15.148 32.855 ( 2.963 -2.246 -1.579) 4.040 33.003 ( 4.341 3.552 -6.764) 8.787 50.255 ( -11.095 0.784 1.127) 11.180 50.321 ( -12.810 0.983 -0.349) 12.852 77.592 ( 22.495 -0.131 1.816) 22.568 78.017 ( 56.333 -8.822 -17.802) 59.734 84.367 ( -6.987 -6.290 10.736) 14.270 85.003 ( -15.309 18.423 -13.063) 27.284 107.391 ( -0.286 1.188 0.060) 1.223 107.451 ( -0.966 2.554 -1.359) 3.050 109.664 ( -1.143 -1.109 2.198) 2.715 109.777 ( -0.440 0.122 -1.403) 1.475 ======================= Grid point 249 (80/140) ======================= q-point: ( 0.15 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 11.483 3.904 10.744) 16.203 1.199 ( 10.974 4.911 9.881) 15.563 2.215 ( 20.320 -1.638 -4.299) 20.834 2.310 ( 14.656 2.190 -7.091) 16.428 2.502 ( 9.087 2.990 9.964) 13.813 3.071 ( -2.833 3.526 -2.926) 5.387 3.551 ( -9.015 -2.848 1.367) 9.552 3.953 ( -0.237 2.264 -9.660) 9.924 4.371 ( 12.572 -0.778 -0.418) 12.603 4.465 ( 10.770 -1.944 -3.369) 11.450 5.071 ( -0.650 -5.729 3.824) 6.918 5.197 ( -0.166 -3.801 2.317) 4.455 5.559 ( -6.160 4.460 -2.486) 8.001 5.600 ( -8.872 5.671 -3.209) 11.007 6.593 ( 5.949 0.220 2.865) 6.607 6.619 ( 0.857 0.278 2.092) 2.278 6.938 ( 6.527 -0.068 6.746) 9.387 7.344 ( -7.006 0.379 -5.823) 9.118 7.889 ( -1.792 1.066 10.468) 10.674 8.528 ( -13.329 -2.216 -6.402) 14.952 9.642 ( 23.375 -2.138 2.253) 23.580 10.021 ( 17.177 -9.157 -10.357) 22.050 11.265 ( -7.826 0.970 2.205) 8.189 11.404 ( -12.166 0.641 -0.829) 12.211 14.991 ( 20.142 -0.554 8.611) 21.912 15.793 ( 13.133 -3.250 -12.913) 18.702 16.347 ( -8.743 -8.061 6.102) 13.366 16.640 ( -10.842 6.792 -2.039) 12.955 19.082 ( 13.622 0.263 3.228) 14.002 19.529 ( 18.045 -3.653 -13.114) 22.604 22.616 ( -6.152 7.589 10.099) 14.051 23.300 ( -14.542 2.509 -8.220) 16.892 26.367 ( 25.940 -0.166 1.691) 25.996 26.511 ( 34.040 -0.134 -2.501) 34.132 31.420 ( 9.635 -0.186 13.622) 16.686 32.095 ( -11.383 1.413 -4.008) 12.151 32.832 ( -2.760 -1.281 0.777) 3.141 33.175 ( 10.399 2.388 -10.450) 14.935 49.942 ( -20.222 0.386 0.893) 20.245 49.976 ( -21.521 1.152 0.287) 21.553 78.204 ( 38.232 -0.240 5.702) 38.655 79.215 ( 59.459 -15.755 -32.646) 69.637 84.182 ( -11.368 -3.468 8.437) 14.575 84.619 ( -22.528 13.521 -6.658) 27.104 107.385 ( -0.376 0.909 0.224) 1.008 107.429 ( -1.095 1.810 -0.739) 2.240 109.640 ( -1.107 -0.514 2.369) 2.665 109.766 ( -0.685 0.077 -1.474) 1.628 ======================= Grid point 250 (81/140) ======================= q-point: ( 0.23 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 12.886 6.209 5.777) 15.427 1.475 ( 15.921 0.579 5.613) 16.891 2.420 ( 4.893 -0.680 -1.690) 5.222 2.534 ( 6.506 3.151 -6.283) 9.578 2.819 ( 14.996 -3.766 4.197) 16.021 3.063 ( 4.537 5.125 2.271) 7.211 3.403 ( -4.469 -4.103 1.661) 6.290 3.990 ( 4.352 2.844 -11.236) 12.380 4.567 ( 5.015 -2.046 0.059) 5.417 4.622 ( 7.250 0.114 -0.822) 7.298 5.094 ( 1.810 -2.637 1.722) 3.633 5.245 ( 3.631 -3.149 3.034) 5.684 5.424 ( -5.784 3.749 -0.860) 6.947 5.487 ( -2.967 0.894 -5.858) 6.627 6.575 ( -3.292 1.320 5.382) 6.446 6.710 ( 4.812 1.346 4.494) 6.720 7.045 ( 3.516 -0.892 6.844) 7.746 7.194 ( -7.888 0.265 -2.516) 8.283 7.959 ( 7.257 0.525 -0.170) 7.278 8.222 ( -16.989 -2.422 -5.083) 17.898 10.049 ( 15.230 -2.788 0.539) 15.492 10.185 ( 1.001 -5.469 -3.317) 6.475 11.156 ( -2.879 -0.281 0.314) 2.910 11.204 ( -6.249 0.890 -0.069) 6.312 15.406 ( 20.970 -0.620 5.630) 21.721 15.972 ( 1.436 -6.481 -6.524) 9.307 16.229 ( 0.398 -4.430 2.450) 5.078 16.458 ( -7.475 5.143 -1.451) 9.189 19.375 ( 15.538 -0.307 3.678) 15.970 19.855 ( 15.004 -2.615 -12.091) 19.447 22.496 ( -5.832 6.832 7.783) 11.886 23.026 ( -12.919 2.252 -6.468) 14.622 26.934 ( 30.666 0.160 3.445) 30.859 27.214 ( 36.404 -0.082 -4.222) 36.648 31.630 ( 11.498 -0.045 9.972) 15.220 31.890 ( -9.275 1.284 0.682) 9.388 32.778 ( -2.596 -0.336 2.198) 3.418 33.372 ( 9.290 1.263 -12.425) 15.565 49.481 ( -25.923 0.010 0.772) 25.934 49.505 ( -25.517 1.068 0.074) 25.540 79.037 ( 45.004 -0.259 9.001) 45.896 80.261 ( 46.449 -14.106 -30.491) 57.325 83.935 ( -13.695 -1.169 4.470) 14.453 84.148 ( -24.618 7.926 -2.175) 25.953 107.378 ( -0.317 0.625 0.287) 0.758 107.409 ( -0.939 1.038 -0.417) 1.460 109.622 ( -0.747 -0.209 2.160) 2.295 109.751 ( -0.747 0.040 -1.575) 1.744 ======================= Grid point 251 (82/140) ======================= q-point: ( 0.31 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 13.447 5.068 3.228) 14.728 1.789 ( 15.229 -0.141 2.237) 15.393 2.493 ( 0.828 0.567 3.415) 3.560 2.549 ( -1.142 3.537 2.906) 4.718 2.970 ( 2.808 -2.559 -2.005) 4.295 3.226 ( 8.093 -0.090 -3.556) 8.840 3.431 ( 6.728 -2.236 4.235) 8.258 4.125 ( 8.837 0.937 -12.363) 15.226 4.589 ( -0.791 -2.215 2.024) 3.103 4.769 ( 6.845 -0.669 -2.801) 7.426 5.101 ( -1.190 0.828 1.795) 2.307 5.255 ( -2.043 -1.857 2.863) 3.978 5.350 ( -2.522 0.630 1.040) 2.800 5.513 ( 4.437 -1.806 -6.532) 8.100 6.508 ( -3.244 1.867 6.562) 7.555 6.762 ( -0.478 2.554 2.380) 3.523 7.034 ( -4.454 -0.735 4.997) 6.734 7.113 ( 1.212 0.349 2.650) 2.935 7.847 ( -18.191 -2.989 -1.376) 18.486 8.156 ( 9.412 0.318 -7.626) 12.118 10.042 ( -9.421 -4.324 2.762) 10.727 10.274 ( 3.670 -1.027 -3.587) 5.233 11.155 ( 3.493 -0.485 0.817) 3.620 11.188 ( 2.742 0.077 0.244) 2.754 15.766 ( 12.374 -2.223 1.942) 12.721 15.891 ( -3.371 -7.170 1.915) 8.151 16.295 ( -0.232 1.407 -0.878) 1.675 16.398 ( 4.448 0.797 -3.027) 5.439 19.670 ( 13.931 -1.275 3.870) 14.514 20.118 ( 11.622 -0.895 -9.623) 15.116 22.393 ( -4.618 6.039 5.700) 9.502 22.800 ( -9.818 2.171 -5.250) 11.344 27.533 ( 29.054 0.414 4.774) 29.446 27.904 ( 32.674 -0.156 -5.272) 33.097 31.732 ( -6.543 1.136 4.582) 8.068 31.864 ( 11.834 0.274 5.456) 13.034 32.725 ( -2.931 0.049 4.163) 5.092 33.534 ( 7.013 0.748 -13.663) 15.376 48.961 ( -25.772 0.113 0.767) 25.783 49.002 ( -24.672 0.549 -0.410) 24.682 79.928 ( 44.595 -0.206 10.271) 45.763 81.055 ( 34.525 -10.046 -22.562) 42.449 83.579 ( -24.578 2.475 1.886) 24.774 83.731 ( -15.237 1.043 -1.325) 15.330 107.372 ( -0.250 0.423 0.268) 0.560 107.393 ( -0.695 0.402 -0.226) 0.834 109.611 ( -0.461 -0.080 1.877) 1.935 109.737 ( -0.650 0.010 -1.651) 1.774 ======================= Grid point 252 (83/140) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 10.588 3.860 2.673) 11.583 2.052 ( 11.082 0.057 0.509) 11.094 2.412 ( -5.269 3.677 14.658) 16.004 2.601 ( 3.450 1.234 3.385) 4.988 2.993 ( 0.432 -1.161 -8.141) 8.234 3.360 ( 5.446 -2.539 -6.452) 8.817 3.571 ( 6.118 -0.487 5.647) 8.340 4.299 ( 7.777 -1.761 -12.913) 15.176 4.568 ( -1.018 -1.632 3.243) 3.771 4.887 ( 5.108 -2.390 -5.386) 7.798 5.075 ( -0.793 1.462 2.651) 3.129 5.203 ( -2.678 -2.622 2.271) 4.383 5.313 ( -1.748 -0.597 2.978) 3.504 5.584 ( 2.053 -1.727 -6.088) 6.652 6.454 ( -2.084 1.786 5.834) 6.447 6.677 ( -6.659 2.187 0.123) 7.010 7.007 ( 1.402 1.035 9.441) 9.601 7.143 ( 1.385 -0.137 -1.585) 2.110 7.503 ( -15.850 -1.310 3.393) 16.262 8.332 ( 7.766 -1.173 -11.771) 14.151 9.843 ( -9.429 -2.166 6.289) 11.540 10.289 ( -0.661 -1.554 -5.735) 5.978 11.221 ( 2.419 -1.003 1.884) 3.226 11.292 ( 6.377 0.468 -0.090) 6.395 15.739 ( -4.728 -9.357 4.222) 11.302 16.006 ( 4.453 0.979 -3.457) 5.721 16.309 ( 3.766 0.978 2.333) 4.537 16.515 ( 5.266 -0.200 -3.478) 6.314 19.905 ( 9.515 -2.353 3.953) 10.568 20.309 ( 7.603 0.706 -7.517) 10.715 22.317 ( -3.015 5.247 4.160) 7.344 22.643 ( -6.066 2.330 -4.549) 7.932 28.035 ( 20.987 0.600 5.608) 21.732 28.461 ( 22.910 -0.370 -5.893) 23.659 31.629 ( -3.849 1.170 7.428) 8.448 32.088 ( 10.476 0.529 -0.014) 10.490 32.659 ( -3.789 0.226 7.605) 8.500 33.645 ( 4.284 0.504 -14.358) 14.991 48.509 ( -19.110 0.142 0.834) 19.129 48.571 ( -18.165 0.231 -0.867) 18.187 80.762 ( 39.309 -0.146 9.460) 40.432 81.628 ( 23.622 -6.479 -14.243) 28.334 83.053 ( -27.482 1.441 4.814) 27.938 83.477 ( -11.279 -0.549 -6.771) 13.167 107.368 ( -0.219 0.229 0.254) 0.406 107.382 ( -0.369 0.030 -0.121) 0.390 109.604 ( -0.252 -0.025 1.661) 1.680 109.727 ( -0.436 -0.015 -1.692) 1.748 ======================= Grid point 253 (84/140) ======================= q-point: ( 0.46 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 4.124 3.288 2.794) 5.968 2.215 ( 5.356 -0.157 1.166) 5.484 2.325 ( -3.416 5.103 18.296) 19.299 2.651 ( 1.402 0.564 3.672) 3.971 3.000 ( 0.306 -0.869 -9.386) 9.431 3.431 ( 1.720 -1.583 -10.125) 10.391 3.655 ( 2.246 -0.720 7.461) 7.824 4.406 ( 2.817 -3.614 -12.829) 13.623 4.555 ( -0.308 -1.288 4.540) 4.729 4.962 ( 2.128 -2.523 -6.238) 7.057 5.075 ( 0.481 -0.133 3.006) 3.047 5.169 ( -0.519 -2.972 2.139) 3.698 5.274 ( -1.782 -1.239 3.022) 3.720 5.598 ( -0.052 -0.683 -5.886) 5.925 6.426 ( -0.780 1.145 4.484) 4.693 6.569 ( -3.202 1.742 1.405) 3.906 7.061 ( 3.560 0.784 3.241) 4.878 7.165 ( 0.977 0.097 -0.603) 1.152 7.249 ( -9.318 0.957 9.194) 13.126 8.442 ( 3.083 -2.269 -14.591) 15.085 9.706 ( -3.836 -0.835 9.078) 9.890 10.277 ( -0.330 -1.877 -6.754) 7.017 11.254 ( 0.841 -0.838 2.889) 3.124 11.385 ( 2.591 0.413 -0.935) 2.785 15.674 ( -1.714 -9.481 5.023) 10.866 16.034 ( 0.018 1.843 -4.692) 5.041 16.393 ( 2.903 -0.110 2.136) 3.605 16.586 ( 1.839 -0.012 -3.099) 3.603 20.034 ( 3.361 -3.069 4.017) 6.071 20.411 ( 2.683 1.667 -6.382) 7.121 22.276 ( -1.068 4.694 3.352) 5.866 22.563 ( -2.041 2.552 -4.263) 5.371 28.324 ( 7.684 0.701 5.992) 9.769 28.774 ( 8.270 -0.557 -6.182) 10.340 31.579 ( -1.246 1.207 8.996) 9.161 32.254 ( 5.458 0.808 -7.430) 9.254 32.586 ( -2.968 0.215 13.875) 14.190 33.701 ( 1.428 0.400 -14.657) 14.732 48.244 ( -7.090 0.145 0.905) 7.149 48.320 ( -6.714 0.083 -1.146) 6.812 81.420 ( 23.885 -0.098 6.837) 24.844 81.965 ( 9.659 -4.067 -7.796) 13.062 82.551 ( -20.114 0.266 8.530) 21.849 83.304 ( -5.267 -1.291 -11.990) 13.159 107.364 ( -0.101 0.025 0.270) 0.289 107.378 ( -0.099 -0.050 -0.094) 0.145 109.600 ( -0.081 -0.004 1.549) 1.551 109.721 ( -0.153 -0.029 -1.709) 1.716 ======================= Grid point 260 (85/140) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 10.585 10.541) 14.938 1.288 ( 0.000 14.712 12.284) 19.166 1.626 ( 0.000 3.446 -3.351) 4.807 1.963 ( 0.000 1.836 -6.526) 6.779 2.460 ( 0.000 1.704 7.184) 7.383 3.263 ( 0.000 4.027 -7.516) 8.526 3.826 ( 0.000 3.396 1.739) 3.816 3.843 ( 0.000 -6.720 -0.420) 6.734 3.883 ( 0.000 -5.837 -1.485) 6.023 4.168 ( 0.000 1.651 -6.994) 7.186 5.062 ( 0.000 -1.769 4.226) 4.581 5.258 ( 0.000 -0.019 3.167) 3.167 5.781 ( 0.000 2.648 -1.983) 3.308 6.172 ( 0.000 2.876 -8.492) 8.965 6.234 ( 0.000 -0.307 2.488) 2.507 6.405 ( 0.000 -0.405 -2.095) 2.134 6.925 ( 0.000 1.735 6.960) 7.173 7.524 ( 0.000 0.888 -7.056) 7.112 8.207 ( 0.000 -13.910 17.599) 22.432 8.797 ( 0.000 1.651 0.314) 1.681 8.827 ( 0.000 1.987 -0.502) 2.049 9.126 ( 0.000 -1.902 -12.717) 12.859 11.516 ( 0.000 1.515 3.756) 4.050 11.712 ( 0.000 -0.902 -1.171) 1.478 14.510 ( 0.000 -0.713 11.426) 11.448 15.386 ( 0.000 -1.204 -12.028) 12.088 16.377 ( 0.000 -9.893 10.006) 14.071 17.094 ( 0.000 2.619 -12.253) 12.530 18.788 ( 0.000 0.496 1.966) 2.028 18.959 ( 0.000 -0.465 -2.812) 2.850 22.983 ( 0.000 11.352 11.122) 15.892 23.784 ( 0.000 4.606 -10.438) 11.409 25.676 ( 0.000 0.470 2.349) 2.395 25.784 ( 0.000 -0.912 -0.642) 1.115 31.205 ( 0.000 0.292 17.620) 17.622 32.470 ( 0.000 -0.392 -16.437) 16.442 32.798 ( 0.000 1.476 -0.241) 1.495 32.996 ( 0.000 -0.094 -6.036) 6.037 50.384 ( 0.000 0.793 1.257) 1.487 50.467 ( 0.000 0.575 -1.177) 1.310 77.362 ( 0.000 -0.078 -0.005) 0.078 77.370 ( 0.000 -0.173 -0.223) 0.282 84.379 ( 0.000 0.407 13.984) 13.990 85.474 ( 0.000 10.426 -22.546) 24.840 107.422 ( 0.000 1.328 0.110) 1.332 107.520 ( 0.000 2.500 -2.734) 3.704 109.648 ( 0.000 -1.215 2.419) 2.707 109.784 ( 0.000 0.068 -1.797) 1.798 ======================= Grid point 261 (86/140) ======================= q-point: ( 0.08 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.340 9.121 9.147) 14.858 1.295 ( 1.240 12.374 9.128) 15.427 1.813 ( 16.999 1.743 -2.601) 17.285 2.085 ( 11.460 2.235 -6.167) 13.204 2.470 ( 1.384 1.526 7.982) 8.243 3.221 ( -3.542 3.604 -6.825) 8.492 3.685 ( -8.495 -0.815 2.421) 8.871 3.954 ( 4.744 -2.240 -4.948) 7.212 4.050 ( 14.053 -3.071 0.008) 14.384 4.216 ( 6.622 0.270 -4.793) 8.179 5.030 ( -3.068 -2.151 4.287) 5.694 5.196 ( -4.690 -0.829 2.667) 5.459 5.730 ( -4.566 2.810 -2.630) 5.972 5.952 ( -12.652 3.588 -5.009) 14.073 6.443 ( 10.012 -0.787 -0.182) 10.045 6.491 ( 8.275 -0.333 -0.845) 8.324 6.904 ( -1.161 1.453 7.558) 7.783 7.475 ( -4.719 0.664 -6.772) 8.280 8.019 ( -10.502 -4.090 15.494) 19.160 8.708 ( -9.441 -1.242 -4.922) 10.719 9.113 ( 23.018 -3.347 1.034) 23.283 9.402 ( 22.492 -5.049 -9.236) 24.834 11.448 ( -6.510 1.598 3.330) 7.485 11.623 ( -8.551 -0.597 -0.869) 8.616 14.642 ( 12.799 -0.750 10.630) 16.655 15.492 ( 9.939 -2.046 -12.123) 15.809 16.316 ( -5.860 -9.677 9.826) 14.984 16.979 ( -10.241 3.648 -9.818) 14.649 18.873 ( 8.140 0.549 2.077) 8.419 19.114 ( 14.201 -2.508 -5.788) 15.539 22.931 ( -4.935 11.145 10.240) 15.920 23.645 ( -12.446 4.133 -8.934) 15.869 25.918 ( 21.073 -0.027 0.706) 21.085 25.950 ( 17.920 -0.283 -0.052) 17.922 31.263 ( 5.667 0.115 16.625) 17.564 32.344 ( -10.363 0.652 -11.398) 15.419 32.827 ( 0.558 -0.729 -0.533) 1.062 33.056 ( 6.489 1.722 -8.635) 10.938 50.271 ( -11.336 0.693 1.207) 11.421 50.342 ( -12.408 0.887 -0.753) 12.462 77.589 ( 22.450 -0.026 1.368) 22.492 77.843 ( 43.785 -7.433 -8.030) 45.132 84.322 ( -5.718 0.628 12.767) 14.003 85.296 ( -17.143 10.361 -19.011) 27.616 107.417 ( -0.481 1.238 0.182) 1.341 107.505 ( -1.410 2.425 -2.227) 3.582 109.642 ( -0.549 -0.966 2.417) 2.660 109.779 ( -0.452 0.077 -1.778) 1.836 ======================= Grid point 262 (87/140) ======================= q-point: ( 0.15 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 12.873 6.073 6.584) 15.682 1.360 ( 5.775 9.419 6.576) 12.857 2.181 ( 17.169 -1.368 -4.518) 17.806 2.360 ( 14.832 2.544 -5.849) 16.146 2.540 ( 6.928 -0.047 9.091) 11.430 3.152 ( -2.665 3.615 -5.020) 6.736 3.493 ( -10.579 -2.071 5.019) 11.891 4.007 ( 1.736 2.514 -9.081) 9.581 4.348 ( 14.191 -1.311 -0.439) 14.258 4.428 ( 12.173 -1.277 -2.190) 12.434 4.970 ( -1.345 -3.660 4.032) 5.609 5.139 ( -0.348 -2.212 1.220) 2.550 5.623 ( -6.030 2.593 -3.126) 7.270 5.706 ( -12.023 3.581 -4.637) 13.375 6.600 ( 6.854 0.480 3.180) 7.571 6.628 ( 3.111 0.701 1.859) 3.691 6.931 ( 4.303 -0.630 7.725) 8.865 7.351 ( -7.455 0.155 -5.444) 9.233 7.910 ( -0.400 0.655 8.414) 8.449 8.471 ( -14.464 -2.984 -5.783) 15.861 9.590 ( 24.141 -2.749 0.936) 24.316 9.822 ( 17.393 -9.404 -6.148) 20.706 11.291 ( -8.457 1.410 2.107) 8.829 11.411 ( -11.751 -0.008 -0.293) 11.755 14.977 ( 20.094 -0.799 8.556) 21.855 15.719 ( 11.151 -3.823 -10.562) 15.828 16.177 ( -6.857 -8.277 8.751) 13.860 16.751 ( -11.873 3.892 -6.777) 14.214 19.088 ( 13.131 0.290 2.621) 13.393 19.445 ( 18.090 -4.139 -9.150) 20.691 22.809 ( -6.932 10.616 8.207) 15.103 23.362 ( -15.105 3.278 -6.708) 16.849 26.362 ( 26.417 -0.342 1.919) 26.489 26.513 ( 33.970 0.357 -2.245) 34.046 31.417 ( 9.638 -0.048 14.044) 17.033 32.124 ( -11.239 1.301 -5.295) 12.492 32.809 ( -1.679 -0.785 0.662) 1.968 33.221 ( 9.289 1.912 -11.469) 14.883 49.951 ( -20.634 0.444 1.089) 20.668 50.002 ( -21.424 1.208 -0.269) 21.460 78.201 ( 38.247 0.113 4.434) 38.503 78.874 ( 56.079 -16.142 -18.031) 61.078 84.164 ( -9.968 1.042 9.453) 13.777 84.852 ( -26.543 9.033 -11.956) 30.481 107.405 ( -0.678 1.003 0.305) 1.249 107.471 ( -1.872 2.025 -1.362) 3.076 109.629 ( -0.659 -0.539 2.305) 2.457 109.767 ( -0.716 0.074 -1.758) 1.899 ======================= Grid point 263 (88/140) ======================= q-point: ( 0.23 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 14.215 4.946 4.582) 15.733 1.527 ( 11.148 5.507 4.808) 13.331 2.404 ( 6.599 -0.658 -0.914) 6.695 2.606 ( 7.911 2.920 -5.338) 9.980 2.744 ( 11.564 -2.804 4.595) 12.755 3.157 ( 2.986 2.035 -3.829) 5.265 3.314 ( -4.968 -2.636 6.904) 8.905 4.051 ( 3.130 2.643 -11.058) 11.792 4.538 ( 3.510 -0.435 0.229) 3.544 4.616 ( 7.969 -0.513 -0.684) 8.014 5.024 ( 5.565 -3.514 1.601) 6.773 5.191 ( 5.197 -2.774 1.000) 5.975 5.485 ( -9.496 2.338 -2.650) 10.132 5.509 ( -5.606 1.134 -4.582) 7.329 6.614 ( -2.347 2.450 5.017) 6.057 6.741 ( 6.199 1.529 4.828) 8.005 7.019 ( 3.308 -1.599 7.264) 8.140 7.198 ( -7.460 0.126 -2.470) 7.859 7.975 ( 4.895 1.009 -0.855) 5.070 8.157 ( -15.850 -3.744 -4.309) 16.847 9.966 ( 8.540 -5.192 0.549) 10.009 10.070 ( 11.403 -5.059 -2.507) 12.725 11.159 ( -4.052 0.486 0.788) 4.156 11.215 ( -6.548 0.199 0.220) 6.554 15.390 ( 20.860 -0.825 5.499) 21.588 15.809 ( -3.778 -8.861 0.532) 9.648 16.159 ( 6.720 -2.610 -0.508) 7.227 16.537 ( -9.448 2.604 -5.002) 11.003 19.365 ( 14.477 -0.621 3.356) 14.874 19.794 ( 16.863 -3.125 -9.723) 19.715 22.672 ( -6.742 9.870 5.959) 13.356 23.079 ( -13.258 2.605 -5.062) 14.428 26.937 ( 31.057 0.123 3.532) 31.258 27.215 ( 36.318 0.223 -4.001) 36.539 31.630 ( 11.751 0.083 10.389) 15.686 31.919 ( -9.314 1.474 -0.120) 9.431 32.772 ( -2.034 -0.218 1.986) 2.851 33.400 ( 8.597 1.362 -13.066) 15.700 49.484 ( -25.996 0.241 0.963) 26.015 49.528 ( -25.941 1.079 -0.260) 25.965 79.036 ( 45.073 0.258 7.209) 45.646 79.931 ( 49.773 -16.878 -19.900) 56.198 83.940 ( -12.620 1.303 4.827) 13.575 84.294 ( -29.349 6.060 -5.598) 30.486 107.392 ( -0.596 0.708 0.328) 0.981 107.435 ( -1.751 1.335 -0.718) 2.316 109.617 ( -0.528 -0.251 2.073) 2.154 109.752 ( -0.783 0.047 -1.748) 1.916 ======================= Grid point 264 (89/140) ======================= q-point: ( 0.31 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 12.143 6.310 3.347) 14.088 1.785 ( 14.010 0.298 3.287) 14.394 2.501 ( 3.503 -0.046 3.528) 4.971 2.644 ( -1.442 5.355 1.157) 5.665 2.931 ( 5.292 -0.408 -1.669) 5.564 3.173 ( 2.513 -5.415 -2.448) 6.452 3.404 ( 9.285 -0.185 3.220) 9.830 4.134 ( 5.129 -0.430 -12.451) 13.473 4.552 ( -0.527 -0.976 2.109) 2.383 4.742 ( 4.767 -2.042 -2.563) 5.785 5.108 ( 2.033 0.035 1.394) 2.466 5.242 ( -2.694 -0.155 2.179) 3.468 5.340 ( -4.369 -0.892 -0.685) 4.512 5.471 ( 2.565 -2.236 -6.604) 7.429 6.557 ( -3.069 2.805 6.453) 7.676 6.820 ( 0.145 2.618 1.972) 3.281 7.024 ( -1.956 -0.005 5.834) 6.153 7.118 ( 0.319 0.119 2.669) 2.691 7.775 ( -17.261 -3.766 -0.293) 17.670 8.158 ( 7.889 -0.144 -7.924) 11.183 9.942 ( -6.617 -4.978 3.925) 9.163 10.241 ( 3.463 -2.104 -4.440) 6.011 11.147 ( 2.474 -0.268 0.830) 2.624 11.186 ( 3.087 -0.246 0.426) 3.126 15.653 ( -4.852 -8.593 5.705) 11.398 15.790 ( 13.755 -2.360 1.673) 14.056 16.313 ( 4.384 0.558 -3.215) 5.465 16.410 ( -0.658 0.101 -3.664) 3.724 19.637 ( 12.643 -1.890 4.153) 13.441 20.097 ( 13.715 -1.052 -8.953) 16.413 22.549 ( -5.696 8.840 4.076) 11.279 22.851 ( -9.734 2.416 -4.100) 10.835 27.543 ( 29.370 0.533 4.708) 29.750 27.902 ( 32.392 -0.067 -4.989) 32.774 31.760 ( -6.434 1.540 4.161) 7.815 31.871 ( 12.079 0.390 5.820) 13.414 32.727 ( -2.632 0.149 3.973) 4.768 33.552 ( 6.636 0.937 -14.022) 15.541 48.964 ( -25.740 0.200 0.885) 25.756 49.015 ( -25.131 0.671 -0.529) 25.146 79.928 ( 44.637 0.308 8.471) 45.435 80.808 ( 39.091 -13.225 -16.396) 44.405 83.637 ( -22.582 2.962 0.636) 22.784 83.754 ( -20.677 0.997 -1.739) 20.774 107.382 ( -0.435 0.461 0.241) 0.678 107.404 ( -1.369 0.606 -0.283) 1.524 109.609 ( -0.362 -0.104 1.830) 1.868 109.738 ( -0.684 0.012 -1.730) 1.861 ======================= Grid point 265 (90/140) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 9.397 5.331 2.775) 11.154 2.036 ( 10.704 -1.445 2.302) 11.044 2.521 ( -1.334 5.607 11.174) 12.573 2.640 ( 1.444 3.483 2.561) 4.559 2.965 ( 0.394 -1.386 -8.345) 8.469 3.292 ( 7.080 -3.810 -2.267) 8.353 3.557 ( 5.638 -1.043 2.273) 6.168 4.235 ( 4.450 -4.806 -13.229) 14.762 4.539 ( -0.588 -0.776 3.070) 3.220 4.818 ( 3.294 -4.360 -4.539) 7.104 5.108 ( -1.169 1.442 1.341) 2.290 5.151 ( -4.831 -2.034 1.948) 5.592 5.292 ( -1.462 -1.077 1.826) 2.575 5.538 ( 2.855 -2.687 -6.307) 7.426 6.501 ( -2.521 2.565 6.564) 7.485 6.725 ( -7.400 2.272 0.534) 7.759 7.039 ( 2.452 2.116 7.532) 8.199 7.143 ( 1.544 0.313 0.563) 1.673 7.468 ( -13.218 -2.070 3.387) 13.801 8.301 ( 6.057 -1.771 -11.237) 12.888 9.792 ( -7.308 -2.574 6.525) 10.129 10.247 ( -1.237 -2.504 -5.864) 6.495 11.201 ( 2.432 -0.932 1.998) 3.283 11.298 ( 6.454 0.153 -0.611) 6.485 15.536 ( -5.065 -10.028 7.618) 13.574 16.006 ( 5.787 -0.769 -4.904) 7.624 16.326 ( 2.121 0.581 1.103) 2.460 16.508 ( 5.643 -0.417 -3.623) 6.719 19.848 ( 8.517 -2.971 4.897) 10.264 20.324 ( 9.088 0.709 -8.087) 12.185 22.452 ( -4.061 7.532 2.874) 9.027 22.699 ( -5.660 2.830 -3.782) 7.372 28.051 ( 21.203 0.856 5.401) 21.896 28.452 ( 22.565 -0.487 -5.458) 23.221 31.659 ( -3.789 1.613 7.175) 8.273 32.101 ( 10.844 0.773 0.437) 10.881 32.665 ( -3.678 0.358 7.356) 8.232 33.658 ( 4.090 0.675 -14.534) 15.113 48.513 ( -19.102 0.205 0.886) 19.123 48.577 ( -18.445 0.305 -0.861) 18.468 80.762 ( 39.349 0.283 7.969) 40.149 81.464 ( 27.305 -9.042 -10.965) 30.782 83.086 ( -29.237 1.619 3.824) 29.530 83.463 ( -12.299 -0.787 -6.427) 13.900 107.373 ( -0.483 0.302 0.181) 0.598 107.383 ( -0.641 0.036 -0.051) 0.644 109.603 ( -0.209 -0.034 1.646) 1.660 109.726 ( -0.462 -0.021 -1.706) 1.768 ======================= Grid point 266 (91/140) ======================= q-point: ( 0.46 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 3.683 4.355 2.571) 6.257 2.185 ( 4.049 -2.223 1.847) 4.975 2.492 ( -1.001 10.458 16.069) 19.199 2.668 ( 0.851 1.092 1.322) 1.914 2.975 ( 0.464 -1.579 -9.590) 9.730 3.396 ( 2.877 -1.730 -5.616) 6.542 3.628 ( 1.761 -1.927 3.718) 4.542 4.294 ( 1.484 -7.438 -13.038) 15.084 4.532 ( -0.165 -0.735 3.510) 3.590 4.874 ( 1.973 -6.108 -6.117) 8.866 5.061 ( -2.525 -1.892 2.237) 3.868 5.108 ( 0.003 -2.061 1.572) 2.592 5.263 ( -1.249 0.519 3.216) 3.489 5.573 ( 0.814 -1.840 -6.047) 6.373 6.462 ( -1.259 2.194 5.938) 6.454 6.607 ( -3.471 1.797 2.721) 4.762 7.080 ( 1.277 1.084 -1.056) 1.980 7.179 ( 2.546 1.437 5.209) 5.973 7.269 ( -7.005 0.865 6.177) 9.379 8.384 ( 2.236 -3.228 -13.099) 13.675 9.687 ( -2.876 -0.905 8.299) 8.829 10.226 ( -0.573 -3.007 -6.510) 7.194 11.235 ( 0.912 -0.919 2.903) 3.178 11.393 ( 2.611 0.259 -1.560) 3.052 15.468 ( -1.770 -10.140 8.282) 13.212 16.048 ( 0.236 -0.379 -7.365) 7.379 16.390 ( 2.507 -0.192 2.246) 3.371 16.585 ( 2.002 -0.052 -3.233) 3.803 19.963 ( 2.999 -3.542 5.369) 7.097 20.447 ( 3.202 1.628 -7.597) 8.404 22.395 ( -1.519 6.549 2.359) 7.125 22.626 ( -1.812 3.337 -3.811) 5.380 28.342 ( 7.761 1.038 5.695) 9.682 28.759 ( 8.112 -0.812 -5.624) 9.904 31.610 ( -1.213 1.673 8.840) 9.078 32.275 ( 5.789 1.182 -7.090) 9.230 32.591 ( -3.109 0.327 13.720) 14.071 33.712 ( 1.366 0.546 -14.744) 14.817 48.248 ( -7.088 0.210 0.917) 7.150 48.322 ( -6.808 0.107 -1.084) 6.895 81.421 ( 23.927 0.362 5.643) 24.586 81.858 ( 11.677 -6.094 -6.022) 14.483 82.556 ( -21.165 0.233 7.940) 22.607 83.272 ( -5.943 -1.777 -11.438) 13.012 107.365 ( -0.272 0.004 0.266) 0.381 107.377 ( -0.109 -0.049 -0.063) 0.135 109.600 ( -0.068 -0.005 1.550) 1.551 109.720 ( -0.162 -0.041 -1.689) 1.697 ======================= Grid point 273 (92/140) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 14.192 2.174) 14.358 1.570 ( 0.000 12.250 7.868) 14.559 1.624 ( 0.000 -3.194 -11.570) 12.003 1.980 ( 0.000 -0.514 -3.307) 3.347 2.461 ( 0.000 -1.535 7.976) 8.122 3.326 ( 0.000 2.528 -7.849) 8.246 3.717 ( 0.000 -5.095 -0.424) 5.113 3.772 ( 0.000 -4.613 -1.819) 4.959 3.935 ( 0.000 6.398 4.059) 7.577 4.185 ( 0.000 -0.468 -3.802) 3.831 5.054 ( 0.000 0.584 5.375) 5.407 5.274 ( 0.000 0.884 5.739) 5.807 5.856 ( 0.000 5.317 -5.043) 7.328 6.152 ( 0.000 -4.164 -8.540) 9.501 6.229 ( 0.000 -0.178 2.377) 2.384 6.397 ( 0.000 -0.297 -2.175) 2.196 6.951 ( 0.000 0.774 7.579) 7.619 7.534 ( 0.000 0.093 -6.421) 6.421 7.980 ( 0.000 -8.003 18.517) 20.172 8.828 ( 0.000 1.256 0.480) 1.344 8.861 ( 0.000 1.266 -0.445) 1.342 9.082 ( 0.000 -1.987 -15.693) 15.819 11.547 ( 0.000 1.420 2.999) 3.318 11.687 ( 0.000 -1.388 -0.049) 1.388 14.497 ( 0.000 -0.507 11.388) 11.399 15.364 ( 0.000 -0.849 -11.796) 11.827 16.202 ( 0.000 -6.668 13.439) 15.003 17.117 ( 0.000 0.172 -12.862) 12.864 18.797 ( 0.000 0.367 1.582) 1.624 18.950 ( 0.000 -0.347 -2.803) 2.824 23.185 ( 0.000 7.784 9.518) 12.296 23.868 ( 0.000 3.296 -8.825) 9.421 25.686 ( 0.000 0.502 1.932) 1.996 25.766 ( 0.000 -0.813 -0.311) 0.871 31.211 ( 0.000 0.208 17.505) 17.506 32.463 ( 0.000 -0.279 -16.225) 16.228 32.820 ( 0.000 0.745 -0.756) 1.061 32.991 ( 0.000 -0.323 -6.287) 6.296 50.397 ( 0.000 0.447 1.453) 1.520 50.475 ( 0.000 0.203 -0.929) 0.951 77.361 ( 0.000 -0.045 -0.039) 0.059 77.367 ( 0.000 -0.133 -0.205) 0.244 84.410 ( 0.000 1.842 14.191) 14.310 85.608 ( 0.000 3.671 -21.869) 22.175 107.444 ( 0.000 0.868 0.425) 0.966 107.556 ( 0.000 1.152 -2.578) 2.824 109.630 ( 0.000 -0.553 2.384) 2.448 109.785 ( 0.000 0.027 -2.118) 2.118 ======================= Grid point 274 (93/140) ======================= q-point: ( 0.08 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 4.177 12.953 1.410) 13.682 1.489 ( -2.516 4.842 -0.797) 5.515 1.834 ( 15.758 1.524 -0.674) 15.846 2.116 ( 12.260 0.547 -4.095) 12.937 2.464 ( 0.555 -1.857 8.039) 8.270 3.270 ( -4.501 1.278 -7.351) 8.714 3.677 ( -7.277 -0.087 3.234) 7.964 3.878 ( 11.247 -4.241 -3.518) 12.525 4.056 ( 11.198 3.163 1.236) 11.702 4.220 ( 4.856 -0.634 -3.091) 5.791 5.007 ( -4.295 -0.485 4.401) 6.169 5.208 ( -5.576 1.403 4.235) 7.141 5.792 ( -5.455 3.674 -4.406) 7.916 5.965 ( -11.341 -1.825 -5.702) 12.824 6.433 ( 11.848 -0.260 0.123) 11.851 6.478 ( 7.323 -0.766 -0.413) 7.375 6.927 ( -1.782 0.829 7.812) 8.055 7.480 ( -5.194 -0.161 -6.219) 8.105 7.929 ( -3.237 -4.019 15.220) 16.072 8.687 ( -11.204 -0.659 -5.311) 12.417 9.078 ( 20.325 -0.504 0.385) 20.335 9.318 ( 18.048 -3.074 -8.848) 20.334 11.480 ( -6.524 1.399 2.667) 7.185 11.603 ( -7.973 -1.103 0.104) 8.049 14.628 ( 12.741 -0.539 10.598) 16.581 15.458 ( 8.790 -1.289 -11.472) 14.510 16.147 ( -5.166 -6.374 12.955) 15.335 17.019 ( -9.202 0.718 -11.535) 14.773 18.882 ( 8.136 0.378 1.566) 8.294 19.074 ( 11.910 -1.365 -4.128) 12.679 23.130 ( -5.137 7.768 8.484) 12.598 23.718 ( -13.405 2.751 -7.196) 15.461 25.919 ( 17.814 0.045 0.701) 17.827 25.946 ( 21.526 -0.114 0.011) 21.527 31.266 ( 5.473 0.132 16.653) 17.530 32.352 ( -9.521 0.163 -11.956) 15.285 32.820 ( -0.512 -0.085 -0.533) 0.744 33.077 ( 7.634 0.470 -9.154) 11.928 50.282 ( -11.480 0.396 1.409) 11.573 50.354 ( -11.996 0.390 -0.763) 12.026 77.592 ( 22.790 0.260 0.824) 22.806 77.730 ( 34.826 -3.810 -3.544) 35.212 84.354 ( -5.651 1.794 12.917) 14.213 85.433 ( -17.068 3.895 -19.311) 26.065 107.438 ( -0.630 0.812 0.463) 1.127 107.541 ( -1.474 1.179 -2.271) 2.953 109.627 ( -0.268 -0.467 2.332) 2.394 109.780 ( -0.439 0.034 -2.086) 2.131 ======================= Grid point 275 (94/140) ======================= q-point: ( 0.15 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 8.190 8.745 0.786) 12.007 1.506 ( 4.349 3.596 1.204) 5.771 2.177 ( 17.011 1.123 0.128) 17.049 2.398 ( 14.363 1.161 -2.885) 14.696 2.503 ( 5.035 -3.004 6.985) 9.119 3.179 ( -4.394 -0.791 -7.498) 8.726 3.495 ( -9.968 1.902 7.299) 12.501 4.033 ( 3.977 0.028 -7.971) 8.908 4.341 ( 15.734 1.059 -0.187) 15.770 4.411 ( 12.620 -0.893 -1.220) 12.710 4.923 ( -2.687 -1.251 2.585) 3.933 5.110 ( -3.070 -0.638 1.217) 3.364 5.667 ( -7.010 1.869 -3.434) 8.027 5.740 ( -11.343 0.087 -4.481) 12.196 6.609 ( 7.736 0.336 3.311) 8.421 6.646 ( 5.871 0.919 1.501) 6.129 6.918 ( 1.803 -0.443 8.260) 8.466 7.347 ( -7.755 -0.507 -5.053) 9.270 7.910 ( 1.910 -0.544 7.182) 7.451 8.423 ( -15.657 -1.597 -5.614) 16.709 9.544 ( 24.575 -1.634 -0.120) 24.630 9.672 ( 16.030 -5.220 -4.019) 17.331 11.318 ( -8.924 1.203 1.787) 9.180 11.405 ( -11.192 -0.544 0.368) 11.211 14.962 ( 20.081 -0.566 8.503) 21.815 15.649 ( 7.799 -2.935 -7.771) 11.394 16.041 ( -3.258 -4.736 9.518) 11.119 16.798 ( -12.252 1.080 -9.218) 15.371 19.092 ( 12.530 0.140 2.045) 12.696 19.378 ( 17.884 -2.355 -6.447) 19.156 23.003 ( -7.250 7.777 6.188) 12.302 23.415 ( -16.122 1.734 -4.818) 16.916 26.355 ( 26.802 -0.260 2.203) 26.894 26.522 ( 33.898 0.486 -2.322) 33.981 31.417 ( 9.619 0.051 14.268) 17.208 32.143 ( -10.847 0.621 -5.969) 12.397 32.800 ( -1.336 -0.211 0.368) 1.402 33.248 ( 9.139 0.806 -12.017) 15.119 49.959 ( -20.819 0.289 1.285) 20.861 50.021 ( -21.292 0.632 -0.513) 21.307 78.211 ( 38.611 0.832 2.892) 38.728 78.612 ( 51.324 -9.411 -9.201) 52.985 84.197 ( -10.007 1.633 9.483) 13.883 84.979 ( -27.806 3.846 -13.420) 31.113 107.422 ( -0.925 0.662 0.507) 1.246 107.503 ( -2.250 1.102 -1.604) 2.975 109.621 ( -0.383 -0.295 2.185) 2.238 109.769 ( -0.724 0.040 -2.007) 2.134 ======================= Grid point 276 (95/140) ======================= q-point: ( 0.23 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 11.545 3.353 2.182) 12.219 1.646 ( 9.289 4.507 2.157) 10.548 2.407 ( 6.051 1.075 3.001) 6.839 2.603 ( 9.180 -1.903 3.495) 10.005 2.741 ( 14.654 0.925 -1.225) 14.734 3.100 ( -4.076 -4.489 -7.303) 9.492 3.348 ( -2.902 3.275 7.307) 8.517 4.082 ( 1.628 0.435 -10.010) 10.151 4.556 ( 3.462 1.817 -1.110) 4.064 4.606 ( 7.043 -0.485 -0.278) 7.065 4.971 ( 7.385 -1.660 0.610) 7.594 5.128 ( 5.079 -3.148 -0.462) 5.993 5.519 ( -9.057 1.079 -3.017) 9.607 5.528 ( -8.616 0.744 -2.823) 9.097 6.667 ( -1.814 2.561 4.082) 5.149 6.764 ( 7.041 0.628 5.072) 8.701 6.986 ( 3.735 -1.418 7.486) 8.486 7.197 ( -6.824 -0.213 -2.321) 7.211 7.995 ( 4.184 0.810 -1.648) 4.569 8.087 ( -16.094 -2.847 -3.346) 16.683 9.868 ( 5.277 -3.889 1.060) 6.641 9.994 ( 17.135 -2.559 -2.628) 17.523 11.172 ( -4.864 0.723 0.860) 4.992 11.213 ( -6.755 -0.319 0.617) 6.790 15.376 ( 20.913 -0.496 5.361) 21.595 15.650 ( -6.238 -6.117 5.061) 10.097 16.121 ( 9.952 -1.191 -2.045) 10.229 16.566 ( -10.673 0.600 -7.108) 12.837 19.352 ( 13.389 -0.578 3.143) 13.765 19.742 ( 18.410 -1.805 -7.945) 20.132 22.859 ( -7.232 7.878 3.756) 11.335 23.114 ( -13.979 0.661 -3.136) 14.341 26.939 ( 31.465 0.032 3.688) 31.680 27.222 ( 36.076 0.350 -3.956) 36.294 31.633 ( 11.973 0.124 10.699) 16.057 31.944 ( -9.174 0.872 -0.670) 9.239 32.770 ( -1.705 -0.024 1.725) 2.425 33.422 ( 8.283 0.741 -13.539) 15.889 49.489 ( -26.091 0.198 1.125) 26.116 49.545 ( -26.176 0.619 -0.461) 26.187 79.050 ( 45.198 1.143 5.035) 45.492 79.640 ( 51.055 -11.065 -11.859) 53.570 83.971 ( -12.711 1.373 4.752) 13.640 84.383 ( -31.837 2.838 -7.056) 32.733 107.404 ( -0.860 0.464 0.447) 1.075 107.457 ( -2.329 0.808 -0.922) 2.632 109.613 ( -0.362 -0.153 1.982) 2.021 109.753 ( -0.810 0.029 -1.908) 2.073 ======================= Grid point 277 (96/140) ======================= q-point: ( 0.31 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 12.533 0.329 3.589) 13.041 1.846 ( 10.357 4.412 2.141) 11.459 2.494 ( 3.874 -0.433 5.080) 6.404 2.728 ( 3.489 2.920 2.904) 5.397 2.968 ( 2.192 1.766 -2.542) 3.792 3.050 ( 5.798 -4.145 -3.653) 8.009 3.402 ( 6.432 -0.466 2.432) 6.892 4.106 ( 0.956 -1.913 -11.516) 11.713 4.560 ( -0.891 1.616 0.461) 1.902 4.691 ( 2.295 -2.821 -1.974) 4.138 5.115 ( 5.112 0.650 0.493) 5.177 5.219 ( 0.054 -1.861 1.425) 2.344 5.343 ( -7.026 0.938 -1.082) 7.171 5.426 ( -0.498 -2.000 -5.911) 6.260 6.610 ( -3.387 2.203 5.951) 7.193 6.852 ( 0.030 0.577 2.019) 2.100 7.034 ( 1.562 0.752 4.719) 5.027 7.121 ( 0.093 0.259 3.523) 3.533 7.710 ( -17.269 -2.428 0.630) 17.450 8.151 ( 7.003 -0.465 -7.655) 10.385 9.860 ( -4.501 -2.893 4.479) 6.978 10.199 ( 3.602 -1.770 -4.955) 6.377 11.144 ( 1.353 -0.058 0.872) 1.611 11.180 ( 3.491 -0.280 0.474) 3.534 15.494 ( -7.536 -6.129 8.826) 13.125 15.760 ( 16.248 -0.940 0.833) 16.296 16.323 ( 7.980 0.435 -3.951) 8.915 16.401 ( -4.363 -0.722 -4.537) 6.336 19.602 ( 11.614 -1.370 4.527) 12.540 20.080 ( 15.429 -0.603 -8.526) 17.638 22.721 ( -6.873 7.648 1.954) 10.466 22.880 ( -9.533 0.059 -2.388) 9.828 27.552 ( 29.737 0.341 4.693) 30.107 27.902 ( 31.984 0.054 -4.780) 32.339 31.788 ( -6.401 1.058 3.760) 7.498 31.878 ( 12.462 0.267 6.213) 13.928 32.731 ( -2.396 0.155 3.758) 4.459 33.568 ( 6.384 0.588 -14.329) 15.697 48.968 ( -25.758 0.154 0.995) 25.777 49.027 ( -25.475 0.420 -0.613) 25.486 79.943 ( 44.533 1.071 6.303) 44.990 80.570 ( 42.675 -9.354 -10.955) 45.041 83.691 ( -19.135 2.281 -0.215) 19.272 83.765 ( -26.953 0.023 -1.865) 27.018 107.389 ( -0.621 0.279 0.281) 0.736 107.415 ( -1.944 0.413 -0.358) 2.020 109.607 ( -0.276 -0.067 1.783) 1.806 109.738 ( -0.717 0.007 -1.806) 1.943 ======================= Grid point 278 (97/140) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 9.609 0.047 3.564) 10.248 2.033 ( 8.226 2.452 2.432) 8.921 2.574 ( 4.282 0.466 5.411) 6.916 2.763 ( 0.252 6.872 5.206) 8.626 2.940 ( -0.813 -1.238 -8.012) 8.148 3.235 ( 8.784 -1.058 -1.153) 8.922 3.525 ( 5.087 -2.065 0.823) 5.551 4.121 ( 0.483 -5.612 -12.329) 13.555 4.545 ( -0.615 1.279 1.333) 1.947 4.721 ( 1.107 -4.819 -3.055) 5.813 5.110 ( -5.249 -0.727 2.207) 5.741 5.143 ( -4.027 0.686 -0.025) 4.085 5.286 ( 0.314 0.542 0.739) 0.969 5.480 ( 3.390 -2.868 -6.205) 7.631 6.546 ( -2.894 1.726 7.037) 7.803 6.760 ( -7.321 1.111 1.237) 7.508 7.078 ( 2.081 1.319 1.523) 2.896 7.161 ( 2.801 1.346 5.516) 6.332 7.428 ( -10.788 -1.656 3.620) 11.499 8.267 ( 4.508 -1.413 -10.292) 11.325 9.751 ( -5.433 -1.417 6.335) 8.465 10.198 ( -1.835 -2.037 -5.817) 6.430 11.186 ( 2.299 -0.513 2.005) 3.093 11.299 ( 6.625 -0.058 -1.024) 6.704 15.366 ( -5.180 -6.300 10.081) 12.968 15.987 ( 6.003 -0.888 -6.077) 8.588 16.332 ( 1.264 0.090 0.520) 1.370 16.500 ( 6.266 -0.349 -3.701) 7.286 19.797 ( 7.876 -1.923 5.765) 9.948 20.335 ( 10.196 0.380 -8.633) 13.366 22.593 ( -5.651 5.951 1.311) 8.311 22.742 ( -4.710 1.135 -2.720) 5.556 28.066 ( 21.472 0.610 5.217) 22.105 28.443 ( 22.138 -0.322 -5.048) 22.708 31.688 ( -3.714 1.112 6.958) 7.965 32.116 ( 11.218 0.563 0.889) 11.267 32.672 ( -3.579 0.281 7.076) 7.934 33.670 ( 3.929 0.453 -14.694) 15.217 48.517 ( -19.097 0.147 0.936) 19.120 48.582 ( -18.701 0.200 -0.848) 18.721 80.775 ( 39.279 0.876 6.168) 39.770 81.297 ( 30.598 -6.741 -7.769) 32.280 83.113 ( -30.864 0.948 3.136) 31.037 83.449 ( -13.134 -0.568 -6.093) 14.490 107.379 ( -0.635 0.221 0.121) 0.684 107.384 ( -0.994 -0.002 0.018) 0.994 109.602 ( -0.169 -0.022 1.632) 1.640 109.726 ( -0.487 -0.016 -1.719) 1.787 ======================= Grid point 279 (98/140) ======================= q-point: ( 0.46 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 3.419 1.183 2.849) 4.605 2.151 ( 3.283 -0.149 2.826) 4.335 2.660 ( 4.225 2.651 3.768) 6.251 2.739 ( -2.518 8.392 8.099) 11.932 2.942 ( 0.397 -1.565 -9.646) 9.780 3.362 ( 3.582 -1.720 -2.073) 4.482 3.591 ( 1.595 -1.289 0.645) 2.150 4.127 ( 0.158 -8.172 -12.508) 14.942 4.535 ( -0.311 1.219 1.716) 2.128 4.738 ( 0.520 -6.626 -4.020) 7.768 5.016 ( -2.953 -1.809 2.820) 4.466 5.087 ( -1.532 -0.539 0.297) 1.651 5.293 ( 0.161 2.112 1.551) 2.625 5.527 ( 1.252 -2.493 -5.896) 6.523 6.503 ( -1.299 1.643 7.241) 7.538 6.635 ( -3.912 0.955 3.787) 5.528 7.102 ( 0.465 0.943 -3.702) 3.848 7.215 ( 2.703 1.689 5.662) 6.498 7.282 ( -4.693 0.436 6.441) 7.981 8.325 ( 1.464 -2.330 -11.415) 11.742 9.674 ( -2.035 -0.372 7.287) 7.575 10.168 ( -0.870 -2.458 -6.078) 6.614 11.220 ( 0.934 -0.539 2.832) 3.030 11.395 ( 2.666 0.031 -2.095) 3.391 15.296 ( -1.788 -6.308 10.639) 12.498 16.031 ( 0.255 -0.954 -9.156) 9.209 16.386 ( 2.317 -0.151 2.372) 3.319 16.584 ( 2.160 -0.059 -3.331) 3.971 19.903 ( 2.791 -2.185 6.490) 7.394 20.472 ( 3.568 0.879 -8.611) 9.362 22.514 ( -2.137 4.694 1.291) 5.316 22.683 ( -1.417 2.058 -3.286) 4.127 28.362 ( 7.862 0.776 5.401) 9.570 28.744 ( 7.924 -0.600 -5.070) 9.426 31.640 ( -1.180 1.159 8.719) 8.875 32.297 ( 6.149 0.863 -6.732) 9.159 32.597 ( -3.276 0.249 13.515) 13.909 33.721 ( 1.309 0.373 -14.824) 14.886 48.252 ( -7.084 0.152 0.926) 7.146 48.324 ( -6.900 0.067 -1.017) 6.975 81.436 ( 24.292 1.082 4.092) 24.658 81.740 ( 13.049 -5.061 -4.021) 14.562 82.560 ( -21.935 0.100 7.483) 23.176 83.240 ( -6.620 -1.223 -10.912) 12.822 107.364 ( -0.436 -0.020 0.281) 0.519 107.376 ( -0.120 -0.018 -0.048) 0.130 109.600 ( -0.057 -0.003 1.551) 1.552 109.719 ( -0.172 -0.029 -1.669) 1.678 ======================= Grid point 286 (99/140) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 0.000 2.156) 2.156 1.550 ( 0.000 -0.000 -16.399) 16.399 1.716 ( 0.000 -0.000 5.551) 5.551 1.959 ( 0.000 0.000 -1.148) 1.148 2.436 ( 0.000 0.000 7.696) 7.696 3.355 ( 0.000 0.000 -8.551) 8.551 3.662 ( 0.000 0.000 -0.478) 0.478 3.722 ( 0.000 -0.000 -2.007) 2.007 4.021 ( 0.000 0.000 5.482) 5.482 4.164 ( 0.000 0.000 -2.655) 2.655 5.064 ( 0.000 -0.000 6.631) 6.631 5.282 ( 0.000 0.000 6.622) 6.622 5.958 ( 0.000 0.000 -7.134) 7.134 6.062 ( 0.000 -0.000 -8.155) 8.155 6.227 ( 0.000 0.000 2.332) 2.332 6.394 ( 0.000 0.000 -2.202) 2.202 6.958 ( 0.000 0.000 8.222) 8.222 7.533 ( 0.000 0.000 -6.085) 6.085 7.899 ( 0.000 -0.000 18.353) 18.353 8.841 ( 0.000 0.000 0.530) 0.530 8.874 ( 0.000 -0.000 -0.404) 0.404 9.060 ( 0.000 0.000 -16.779) 16.779 11.564 ( 0.000 0.000 2.491) 2.491 11.669 ( 0.000 0.000 0.536) 0.536 14.492 ( 0.000 -0.000 11.371) 11.371 15.355 ( 0.000 0.000 -11.703) 11.703 16.132 ( 0.000 0.000 14.675) 14.675 17.117 ( 0.000 0.000 -12.898) 12.898 18.801 ( 0.000 0.000 1.428) 1.428 18.946 ( 0.000 0.000 -2.802) 2.802 23.267 ( 0.000 0.000 8.839) 8.839 23.903 ( 0.000 -0.000 -8.072) 8.072 25.692 ( 0.000 0.000 1.722) 1.722 25.756 ( 0.000 0.000 -0.137) 0.137 31.213 ( 0.000 0.000 17.457) 17.457 32.460 ( 0.000 0.000 -16.138) 16.138 32.828 ( 0.000 0.000 -0.942) 0.942 32.987 ( 0.000 -0.000 -6.337) 6.337 50.401 ( 0.000 0.000 1.539) 1.539 50.477 ( 0.000 -0.000 -0.809) 0.809 77.360 ( 0.000 0.000 -0.055) 0.055 77.366 ( 0.000 -0.000 -0.195) 0.195 84.432 ( 0.000 0.000 14.145) 14.145 85.642 ( 0.000 0.000 -21.188) 21.188 107.454 ( 0.000 0.000 0.556) 0.556 107.568 ( 0.000 -0.000 -2.418) 2.418 109.625 ( 0.000 0.000 2.319) 2.319 109.785 ( 0.000 0.000 -2.242) 2.242 ======================= Grid point 288 (100/140) ======================= q-point: ( 0.08 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 4.063 0.000 1.710) 4.408 1.480 ( -4.400 -0.000 -11.545) 12.355 1.867 ( 14.097 0.000 4.928) 14.933 2.116 ( 13.393 0.000 -3.222) 13.775 2.436 ( 0.166 0.000 7.685) 7.687 3.280 ( -5.635 0.000 -7.522) 9.399 3.678 ( -5.486 0.000 2.418) 5.995 3.828 ( 13.079 -0.000 -3.062) 13.433 4.112 ( 10.089 -0.000 2.550) 10.407 4.198 ( 4.168 0.000 -2.448) 4.834 5.003 ( -5.224 0.000 4.999) 7.230 5.226 ( -5.321 0.000 4.893) 7.229 5.860 ( -8.148 0.000 -6.347) 10.328 5.915 ( -9.139 -0.000 -5.106) 10.469 6.431 ( 13.592 0.000 0.306) 13.596 6.469 ( 6.358 -0.000 -0.192) 6.361 6.936 ( -1.778 -0.000 7.969) 8.165 7.476 ( -5.434 0.000 -5.855) 7.988 7.885 ( -0.732 0.000 15.052) 15.070 8.681 ( -11.716 0.000 -5.667) 13.014 9.076 ( 18.822 0.000 0.086) 18.822 9.286 ( 16.900 -0.000 -8.830) 19.068 11.496 ( -6.583 0.000 2.226) 6.949 11.589 ( -7.673 0.000 0.620) 7.698 14.623 ( 12.716 0.000 10.583) 16.544 15.444 ( 8.333 0.000 -11.217) 13.974 16.080 ( -4.789 0.000 14.050) 14.844 17.024 ( -8.814 0.000 -11.909) 14.816 18.886 ( 8.125 0.000 1.364) 8.239 19.060 ( 11.124 0.000 -3.663) 11.712 23.213 ( -5.108 0.000 7.717) 9.255 23.747 ( -13.943 -0.000 -6.364) 15.327 25.920 ( 16.011 -0.000 0.685) 16.025 25.945 ( 23.533 -0.000 0.017) 23.533 31.267 ( 5.415 -0.000 16.645) 17.504 32.353 ( -9.236 0.000 -12.057) 15.188 32.819 ( -0.808 0.000 -0.641) 1.031 33.081 ( 8.009 -0.000 -9.245) 12.231 50.286 ( -11.527 0.000 1.494) 11.624 50.358 ( -11.838 -0.000 -0.716) 11.860 77.596 ( 23.207 0.000 0.508) 23.213 77.691 ( 31.578 -0.000 -2.280) 31.660 84.374 ( -5.724 0.000 12.869) 14.085 85.470 ( -16.891 -0.000 -18.960) 25.392 107.446 ( -0.687 0.000 0.581) 0.900 107.553 ( -1.457 -0.000 -2.187) 2.628 109.623 ( -0.195 0.000 2.267) 2.275 109.781 ( -0.433 0.000 -2.203) 2.246 ======================= Grid point 290 (101/140) ======================= q-point: ( 0.15 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 1.634 0.000 -5.025) 5.284 1.501 ( 8.137 -0.000 0.915) 8.188 2.200 ( 17.560 0.000 4.214) 18.058 2.420 ( 16.625 0.000 -3.244) 16.939 2.451 ( 1.875 0.000 7.705) 7.930 3.163 ( -6.059 0.000 -7.521) 9.658 3.522 ( -8.916 0.000 6.552) 11.064 4.028 ( 5.473 -0.000 -7.198) 9.042 4.379 ( 13.501 -0.000 -1.621) 13.598 4.380 ( 14.940 0.000 0.554) 14.951 4.911 ( -2.686 0.000 1.848) 3.260 5.106 ( -5.387 0.000 1.413) 5.569 5.692 ( -8.433 0.000 -4.253) 9.445 5.732 ( -9.614 -0.000 -3.452) 10.215 6.613 ( 7.916 -0.000 3.381) 8.608 6.656 ( 7.483 0.000 1.368) 7.607 6.914 ( 0.527 -0.000 8.192) 8.209 7.339 ( -7.788 0.000 -4.778) 9.137 7.901 ( 2.975 0.000 6.908) 7.522 8.408 ( -16.115 0.000 -5.756) 17.112 9.527 ( 24.768 0.000 -0.463) 24.772 9.619 ( 15.131 -0.000 -3.503) 15.532 11.332 ( -9.113 0.000 1.517) 9.239 11.397 ( -10.904 0.000 0.735) 10.929 14.956 ( 20.086 -0.000 8.481) 21.803 15.616 ( 5.980 0.000 -6.162) 8.587 15.994 ( -1.324 0.000 9.192) 9.287 16.807 ( -12.283 0.000 -9.916) 15.786 19.094 ( 12.238 0.000 1.820) 12.373 19.354 ( 17.792 -0.000 -5.589) 18.649 23.088 ( -7.092 0.000 5.209) 8.799 23.431 ( -16.826 -0.000 -3.835) 17.257 26.352 ( 26.929 -0.000 2.324) 27.029 26.528 ( 33.891 0.000 -2.401) 33.976 31.418 ( 9.611 -0.000 14.330) 17.255 32.149 ( -10.652 0.000 -6.145) 12.298 32.798 ( -1.275 0.000 0.217) 1.293 33.256 ( 9.193 0.000 -12.167) 15.249 49.962 ( -20.873 0.000 1.363) 20.917 50.027 ( -21.219 -0.000 -0.558) 21.226 78.224 ( 38.963 0.000 2.020) 39.015 78.513 ( 49.103 -0.000 -6.296) 49.505 84.215 ( -10.154 0.000 9.428) 13.856 85.016 ( -28.015 -0.000 -13.573) 31.129 107.429 ( -1.022 0.000 0.594) 1.182 107.514 ( -2.337 -0.000 -1.628) 2.848 109.618 ( -0.300 0.000 2.128) 2.149 109.769 ( -0.725 -0.000 -2.103) 2.224 ======================= Grid point 292 (102/140) ======================= q-point: ( 0.23 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 8.392 0.000 0.406) 8.402 1.687 ( 10.412 0.000 0.673) 10.434 2.426 ( 4.142 0.000 6.450) 7.665 2.585 ( 11.820 0.000 6.180) 13.338 2.739 ( 14.982 0.000 -2.214) 15.145 3.053 ( -4.521 0.000 -8.487) 9.616 3.385 ( -3.834 0.000 5.968) 7.093 4.083 ( 1.042 -0.000 -9.264) 9.322 4.582 ( 4.337 0.000 -2.276) 4.898 4.599 ( 5.692 -0.000 0.011) 5.692 4.956 ( 7.641 0.000 -0.184) 7.643 5.090 ( 4.810 0.000 -0.409) 4.828 5.529 ( -8.096 0.000 -3.283) 8.737 5.537 ( -9.987 0.000 -1.780) 10.145 6.698 ( -1.925 -0.000 3.261) 3.787 6.767 ( 7.256 0.000 5.448) 9.074 6.971 ( 4.095 -0.000 7.499) 8.544 7.194 ( -6.340 0.000 -2.182) 6.705 8.004 ( 6.943 0.000 -2.025) 7.233 8.056 ( -19.160 -0.000 -2.881) 19.375 9.827 ( 5.230 0.000 1.261) 5.380 9.968 ( 17.962 0.000 -2.767) 18.173 11.182 ( -5.123 0.000 0.719) 5.173 11.208 ( -6.835 -0.000 0.891) 6.893 15.372 ( 21.116 -0.000 5.285) 21.767 15.586 ( -7.033 0.000 6.574) 9.627 16.110 ( 10.872 0.000 -2.441) 11.143 16.571 ( -11.049 0.000 -7.772) 13.509 19.346 ( 12.945 0.000 3.092) 13.309 19.724 ( 18.964 -0.000 -7.364) 20.344 22.949 ( -6.675 0.000 2.433) 7.104 23.113 ( -15.023 -0.000 -1.893) 15.141 26.939 ( 31.630 -0.000 3.769) 31.854 27.226 ( 35.949 0.000 -3.972) 36.168 31.634 ( 12.057 -0.000 10.807) 16.192 31.952 ( -9.078 0.000 -0.847) 9.117 32.770 ( -1.611 0.000 1.606) 2.275 33.429 ( 8.227 0.000 -13.699) 15.980 49.491 ( -26.127 -0.000 1.188) 26.154 49.551 ( -26.240 -0.000 -0.518) 26.245 79.067 ( 45.233 0.000 3.860) 45.397 79.522 ( 51.224 -0.000 -8.821) 51.978 83.986 ( -12.863 0.000 4.685) 13.690 84.411 ( -32.556 -0.000 -7.371) 33.380 107.409 ( -0.969 0.000 0.501) 1.091 107.465 ( -2.515 -0.000 -0.974) 2.697 109.612 ( -0.304 0.000 1.944) 1.968 109.753 ( -0.819 -0.000 -1.971) 2.135 ======================= Grid point 294 (103/140) ======================= q-point: ( 0.31 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 11.385 0.000 3.422) 11.888 1.894 ( 10.140 0.000 1.163) 10.207 2.490 ( 3.439 0.000 6.362) 7.231 2.769 ( 6.205 0.000 7.301) 9.582 2.924 ( 0.806 0.000 -6.265) 6.317 3.065 ( 8.579 0.000 -5.022) 9.941 3.392 ( 3.955 -0.000 2.637) 4.753 4.082 ( -0.907 -0.000 -10.879) 10.917 4.591 ( -1.224 0.000 -1.266) 1.761 4.649 ( 0.933 -0.000 -0.970) 1.346 5.125 ( 6.993 -0.000 -0.311) 7.000 5.195 ( 1.098 -0.000 1.502) 1.860 5.356 ( -7.574 0.000 -0.799) 7.616 5.402 ( -2.361 0.000 -5.688) 6.158 6.634 ( -3.804 -0.000 5.623) 6.789 6.855 ( 0.047 0.000 2.434) 2.434 7.043 ( 3.064 -0.000 3.411) 4.585 7.125 ( 0.331 0.000 4.163) 4.177 7.685 ( -17.438 0.000 1.022) 17.468 8.145 ( 6.696 0.000 -7.389) 9.972 9.831 ( -3.706 0.000 4.548) 5.866 10.180 ( 3.656 0.000 -5.095) 6.271 11.144 ( 0.785 0.000 0.903) 1.197 11.177 ( 3.752 0.000 0.457) 3.779 15.430 ( -7.760 0.000 9.868) 12.553 15.750 ( 16.398 0.000 0.579) 16.408 16.328 ( 10.295 0.000 -4.102) 11.082 16.392 ( -6.656 0.000 -4.864) 8.244 19.588 ( 11.258 0.000 4.702) 12.201 20.074 ( 16.033 -0.000 -8.410) 18.105 22.831 ( -5.201 0.000 -0.071) 5.202 22.850 ( -11.600 -0.000 -0.517) 11.612 27.555 ( 29.901 -0.000 4.701) 30.268 27.903 ( 31.783 0.000 -4.711) 32.131 31.799 ( -6.452 0.000 3.584) 7.381 31.881 ( 12.702 0.000 6.398) 14.222 32.732 ( -2.312 0.000 3.662) 4.331 33.574 ( 6.309 0.000 -14.443) 15.761 48.970 ( -25.770 -0.000 1.039) 25.791 49.031 ( -25.595 -0.000 -0.640) 25.603 79.958 ( 44.373 0.000 5.176) 44.674 80.469 ( 44.019 -0.000 -8.702) 44.871 83.718 ( -14.095 0.000 -0.578) 14.107 83.761 ( -33.035 -0.000 -1.781) 33.083 107.392 ( -0.706 0.000 0.305) 0.769 107.419 ( -2.150 -0.000 -0.384) 2.184 109.606 ( -0.243 0.000 1.764) 1.781 109.738 ( -0.729 -0.000 -1.836) 1.976 ======================= Grid point 296 (104/140) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 9.627 0.000 4.101) 10.464 2.068 ( 7.130 0.000 1.963) 7.395 2.575 ( 5.224 0.000 4.029) 6.597 2.847 ( 2.035 0.000 7.915) 8.172 2.917 ( -0.069 0.000 -9.404) 9.404 3.239 ( 7.340 0.000 -2.360) 7.710 3.494 ( 5.471 -0.000 1.004) 5.562 4.055 ( -1.611 -0.000 -11.846) 11.955 4.571 ( -0.610 0.000 -0.011) 0.610 4.657 ( -0.057 -0.000 -1.774) 1.774 5.102 ( -6.869 -0.000 2.400) 7.276 5.151 ( -3.837 0.000 -0.441) 3.862 5.298 ( 1.319 0.000 0.130) 1.326 5.444 ( 3.539 0.000 -6.104) 7.055 6.564 ( -3.086 -0.000 7.206) 7.839 6.771 ( -7.026 0.000 1.578) 7.201 7.090 ( 1.746 0.000 -1.308) 2.182 7.179 ( 3.454 0.000 7.458) 8.219 7.410 ( -9.873 -0.000 3.897) 10.614 8.251 ( 3.930 0.000 -9.764) 10.525 9.737 ( -4.715 0.000 6.116) 7.722 10.176 ( -2.110 0.000 -5.735) 6.111 11.181 ( 2.238 -0.000 1.989) 2.994 11.298 ( 6.687 0.000 -1.176) 6.790 15.300 ( -5.187 0.000 10.972) 12.136 15.977 ( 5.925 0.000 -6.560) 8.840 16.333 ( 1.026 0.000 0.400) 1.101 16.496 ( 6.572 0.000 -3.712) 7.548 19.777 ( 7.674 0.000 6.103) 9.805 20.339 ( 10.583 -0.000 -8.854) 13.798 22.662 ( -7.340 0.000 0.367) 7.349 22.747 ( -3.283 -0.000 -1.980) 3.834 28.073 ( 21.601 -0.000 5.148) 22.206 28.440 ( 21.935 0.000 -4.885) 22.472 31.699 ( -3.679 0.000 6.878) 7.800 32.122 ( 11.375 0.000 1.077) 11.425 32.675 ( -3.540 0.000 6.950) 7.800 33.674 ( 3.871 0.000 -14.756) 15.255 48.518 ( -19.095 0.000 0.956) 19.119 48.584 ( -18.801 0.000 -0.840) 18.820 80.787 ( 39.200 0.000 5.246) 39.549 81.224 ( 31.889 -0.000 -6.349) 32.515 83.122 ( -31.525 0.000 2.907) 31.659 83.443 ( -13.419 0.000 -5.957) 14.682 107.381 ( -0.402 0.000 0.091) 0.413 107.383 ( -1.427 0.000 0.056) 1.428 109.602 ( -0.153 0.000 1.626) 1.633 109.726 ( -0.497 -0.000 -1.724) 1.794 ======================= Grid point 298 (105/140) ======================= q-point: ( 0.46 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 3.787 0.000 3.609) 5.231 2.164 ( 2.427 0.000 2.465) 3.459 2.678 ( 4.181 0.000 -0.362) 4.197 2.852 ( -1.089 0.000 10.542) 10.598 2.923 ( 0.410 0.000 -9.796) 9.805 3.337 ( 2.496 0.000 -1.640) 2.987 3.581 ( 2.746 0.000 0.247) 2.757 4.029 ( -0.819 0.000 -12.437) 12.464 4.565 ( -0.079 0.000 0.435) 0.442 4.650 ( -0.446 -0.000 -2.410) 2.451 4.998 ( -3.017 -0.000 2.856) 4.155 5.082 ( -2.129 0.000 0.053) 2.129 5.322 ( 0.653 0.000 0.569) 0.866 5.495 ( 1.377 0.000 -5.703) 5.867 6.520 ( -1.203 -0.000 7.838) 7.930 6.645 ( -4.163 0.000 4.073) 5.824 7.113 ( 0.557 -0.000 -4.227) 4.263 7.233 ( 2.135 0.000 3.539) 4.133 7.286 ( -3.506 -0.000 8.189) 8.908 8.301 ( 1.176 0.000 -10.656) 10.720 9.671 ( -1.720 0.000 6.780) 6.995 10.141 ( -1.015 0.000 -5.824) 5.911 11.214 ( 0.937 0.000 2.784) 2.938 11.395 ( 2.692 0.000 -2.297) 3.539 15.231 ( -1.785 0.000 11.487) 11.625 16.020 ( 0.221 0.000 -9.775) 9.778 16.385 ( 2.285 0.000 2.430) 3.335 16.583 ( 2.222 0.000 -3.362) 4.030 19.881 ( 2.728 0.000 6.906) 7.425 20.481 ( 3.695 -0.000 -8.991) 9.721 22.564 ( -2.522 0.000 0.801) 2.646 22.704 ( -1.124 -0.000 -3.020) 3.223 28.370 ( 7.913 -0.000 5.280) 9.513 28.738 ( 7.835 0.000 -4.841) 9.210 31.652 ( -1.166 0.000 8.680) 8.758 32.306 ( 6.307 0.000 -6.576) 9.112 32.600 ( -3.354 0.000 13.414) 13.827 33.725 ( 1.286 0.000 -14.855) 14.911 48.254 ( -7.081 0.000 0.929) 7.142 48.325 ( -6.938 0.000 -0.988) 7.008 81.452 ( 24.887 0.000 3.209) 25.093 81.683 ( 13.100 -0.000 -2.974) 13.433 82.561 ( -22.192 0.000 7.316) 23.367 83.227 ( -6.900 0.000 -10.702) 12.734 107.364 ( -0.499 -0.000 0.292) 0.578 107.376 ( -0.128 0.000 -0.045) 0.136 109.600 ( -0.052 0.000 1.551) 1.552 109.719 ( -0.176 -0.000 -1.661) 1.670 ======================= Grid point 351 (106/140) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 0.000 16.624) 16.624 1.311 ( 0.000 0.000 18.108) 18.108 1.491 ( 0.000 0.000 -6.651) 6.651 1.653 ( 0.000 0.000 -14.394) 14.394 2.580 ( 0.000 0.000 14.970) 14.970 2.894 ( 0.000 0.000 -12.383) 12.383 3.793 ( 0.000 0.000 1.597) 1.597 3.917 ( 0.000 0.000 -9.900) 9.900 3.999 ( 0.000 0.000 -0.137) 0.137 4.004 ( 0.000 0.000 -0.614) 0.614 5.333 ( 0.000 0.000 2.694) 2.694 5.365 ( 0.000 0.000 -0.309) 0.309 5.687 ( 0.000 0.000 3.552) 3.552 5.779 ( 0.000 0.000 -4.548) 4.548 6.304 ( 0.000 0.000 3.049) 3.049 6.365 ( 0.000 0.000 -2.744) 2.744 7.069 ( 0.000 0.000 10.774) 10.774 7.299 ( 0.000 0.000 -10.595) 10.595 8.760 ( 0.000 0.000 -0.096) 0.096 8.761 ( 0.000 0.000 -0.133) 0.133 8.855 ( 0.000 0.000 8.063) 8.063 9.006 ( 0.000 0.000 -6.196) 6.196 11.571 ( 0.000 0.000 4.090) 4.090 11.651 ( 0.000 0.000 -3.382) 3.382 14.807 ( 0.000 0.000 14.696) 14.696 15.124 ( 0.000 0.000 -15.099) 15.099 16.715 ( 0.000 0.000 5.436) 5.436 16.835 ( 0.000 0.000 -5.846) 5.846 18.836 ( 0.000 0.000 3.170) 3.170 18.905 ( 0.000 0.000 -3.292) 3.292 23.008 ( 0.000 0.000 17.037) 17.037 23.366 ( 0.000 0.000 -16.610) 16.610 25.726 ( 0.000 0.000 2.725) 2.725 25.775 ( 0.000 0.000 -1.920) 1.920 31.619 ( 0.000 0.000 21.724) 21.724 32.076 ( 0.000 0.000 -21.259) 21.259 32.796 ( 0.000 0.000 3.633) 3.633 32.886 ( 0.000 0.000 -4.812) 4.812 50.388 ( 0.000 0.000 1.614) 1.614 50.419 ( 0.000 0.000 -1.364) 1.364 77.366 ( 0.000 0.000 0.127) 0.127 77.370 ( 0.000 0.000 -0.218) 0.218 84.713 ( 0.000 0.000 0.431) 0.431 84.726 ( 0.000 0.000 -0.776) 0.776 107.390 ( 0.000 0.000 0.768) 0.768 107.408 ( 0.000 0.000 -0.975) 0.975 109.723 ( 0.000 0.000 1.387) 1.387 109.753 ( 0.000 0.000 -1.394) 1.394 ======================= Grid point 352 (107/140) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.562 0.000 11.312) 11.599 1.248 ( -1.818 0.000 11.498) 11.641 1.742 ( 19.229 0.000 -2.756) 19.425 1.811 ( 14.084 0.000 -9.745) 17.126 2.605 ( 2.905 0.000 14.679) 14.964 2.896 ( 0.488 0.000 -11.291) 11.302 3.730 ( -4.931 0.000 1.673) 5.207 3.826 ( -5.125 0.000 -6.978) 8.658 4.135 ( 11.243 0.000 0.246) 11.246 4.166 ( 12.240 0.000 -2.931) 12.586 5.285 ( -4.224 0.000 3.332) 5.380 5.333 ( -2.890 0.000 -0.851) 3.013 5.602 ( -6.896 0.000 1.851) 7.140 5.652 ( -9.159 0.000 -2.518) 9.499 6.464 ( 11.970 0.000 -0.223) 11.972 6.467 ( 8.547 0.000 -0.362) 8.554 7.049 ( -1.341 0.000 10.241) 10.329 7.265 ( -3.023 0.000 -9.957) 10.406 8.391 ( -16.297 0.000 12.171) 20.340 8.601 ( -10.669 0.000 -8.049) 13.364 9.292 ( 21.898 0.000 2.441) 22.034 9.377 ( 29.578 0.000 -6.240) 30.229 11.492 ( -7.503 0.000 3.868) 8.441 11.565 ( -8.157 0.000 -3.012) 8.695 14.925 ( 11.472 0.000 14.263) 18.304 15.242 ( 11.178 0.000 -15.570) 19.167 16.659 ( -5.292 0.000 4.300) 6.819 16.745 ( -8.289 0.000 -3.559) 9.021 18.930 ( 9.145 0.000 4.058) 10.005 19.031 ( 11.842 0.000 -5.833) 13.201 22.942 ( -6.220 0.000 15.685) 16.873 23.268 ( -9.062 0.000 -14.894) 17.434 25.936 ( 20.175 0.000 0.727) 20.188 25.950 ( 17.129 0.000 -0.546) 17.137 31.647 ( 2.690 0.000 19.537) 19.722 32.039 ( -3.396 0.000 -16.904) 17.241 32.845 ( 4.579 0.000 -0.255) 4.586 32.877 ( -0.717 0.000 -2.757) 2.849 50.274 ( -11.356 0.000 1.360) 11.437 50.299 ( -11.960 0.000 -0.950) 11.998 77.655 ( 28.116 0.000 4.229) 28.432 77.790 ( 39.381 0.000 -9.494) 40.509 84.614 ( -9.609 0.000 1.229) 9.687 84.635 ( -8.983 0.000 -0.898) 9.027 107.388 ( -0.154 0.000 0.719) 0.735 107.405 ( -0.297 0.000 -0.870) 0.919 109.713 ( -0.897 0.000 1.653) 1.880 109.747 ( -0.568 0.000 -1.514) 1.617 ======================= Grid point 353 (108/140) ======================= q-point: ( 0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 4.152 0.000 10.315) 11.120 1.342 ( 7.783 0.000 4.318) 8.900 2.120 ( 16.810 0.000 -5.259) 17.614 2.120 ( 15.403 0.000 -5.750) 16.441 2.722 ( 9.698 0.000 12.230) 15.608 2.930 ( 3.426 0.000 -7.372) 8.129 3.623 ( -5.553 0.000 3.810) 6.734 3.743 ( -2.869 0.000 -7.554) 8.080 4.383 ( 12.613 0.000 0.842) 12.641 4.419 ( 12.067 0.000 -2.573) 12.338 5.205 ( -2.912 0.000 4.014) 4.959 5.281 ( -1.432 0.000 -2.338) 2.742 5.467 ( -6.169 0.000 0.788) 6.219 5.493 ( -6.656 0.000 -1.921) 6.928 6.638 ( 7.748 0.000 1.687) 7.930 6.651 ( 5.270 0.000 0.648) 5.310 7.059 ( 3.175 0.000 6.090) 6.868 7.199 ( -3.161 0.000 -7.086) 7.759 8.137 ( -9.920 0.000 12.430) 15.903 8.375 ( -12.369 0.000 -10.047) 15.936 9.749 ( 22.477 0.000 5.267) 23.086 9.894 ( 21.216 0.000 -8.885) 23.001 11.312 ( -9.607 0.000 2.844) 10.019 11.364 ( -11.101 0.000 -2.032) 11.286 15.221 ( 17.478 0.000 12.649) 21.575 15.516 ( 15.317 0.000 -15.102) 21.509 16.527 ( -7.564 0.000 2.079) 7.844 16.552 ( -10.308 0.000 -0.001) 10.308 19.172 ( 14.687 0.000 5.529) 15.694 19.320 ( 16.348 0.000 -9.012) 18.668 22.790 ( -8.606 0.000 12.873) 15.485 23.054 ( -11.763 0.000 -11.912) 16.741 26.408 ( 28.213 0.000 2.146) 28.294 26.457 ( 31.247 0.000 -2.526) 31.349 31.717 ( 4.291 0.000 13.862) 14.511 31.960 ( -4.268 0.000 -8.648) 9.644 32.868 ( -0.071 0.000 1.941) 1.942 32.959 ( 6.590 0.000 -7.076) 9.670 49.955 ( -20.468 0.000 0.772) 20.482 49.967 ( -21.162 0.000 -0.258) 21.164 78.391 ( 44.229 0.000 11.933) 45.810 78.740 ( 52.843 0.000 -22.523) 57.443 84.361 ( -15.364 0.000 1.971) 15.490 84.387 ( -15.782 0.000 -0.733) 15.799 107.384 ( -0.240 0.000 0.605) 0.651 107.398 ( -0.417 0.000 -0.665) 0.785 109.692 ( -1.150 0.000 2.044) 2.345 109.732 ( -0.870 0.000 -1.757) 1.960 ======================= Grid point 354 (109/140) ======================= q-point: ( 0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 9.442 0.000 9.146) 13.145 1.532 ( 11.145 0.000 -1.278) 11.218 2.367 ( 9.121 0.000 -2.991) 9.599 2.370 ( 9.753 0.000 -4.160) 10.603 2.963 ( 12.605 0.000 4.398) 13.351 3.024 ( 4.720 0.000 -1.038) 4.832 3.541 ( -1.439 0.000 7.649) 7.783 3.733 ( 2.447 0.000 -10.188) 10.477 4.592 ( 8.143 0.000 -0.163) 8.144 4.596 ( 5.583 0.000 -0.628) 5.618 5.179 ( -0.474 0.000 4.366) 4.391 5.290 ( 1.188 0.000 -5.294) 5.425 5.380 ( -2.092 0.000 1.335) 2.482 5.399 ( -2.004 0.000 -0.888) 2.192 6.675 ( -1.610 0.000 4.901) 5.159 6.739 ( 1.998 0.000 -0.614) 2.091 7.143 ( 3.573 0.000 1.796) 3.999 7.156 ( -1.036 0.000 -0.537) 1.167 7.999 ( -3.770 0.000 4.353) 5.758 8.120 ( -13.204 0.000 -6.467) 14.702 10.106 ( 12.324 0.000 2.085) 12.499 10.165 ( 5.682 0.000 -3.519) 6.684 11.171 ( -3.366 0.000 0.688) 3.436 11.185 ( -5.532 0.000 -0.491) 5.554 15.570 ( 16.936 0.000 9.365) 19.353 15.796 ( 11.934 0.000 -11.860) 16.825 16.375 ( -6.621 0.000 1.628) 6.819 16.385 ( -6.288 0.000 0.592) 6.315 19.481 ( 16.108 0.000 6.164) 17.247 19.643 ( 15.949 0.000 -9.531) 18.580 22.622 ( -8.121 0.000 10.040) 12.914 22.828 ( -10.780 0.000 -9.343) 14.265 27.016 ( 32.496 0.000 4.524) 32.810 27.117 ( 34.646 0.000 -4.917) 34.993 31.809 ( 4.866 0.000 6.339) 7.992 31.882 ( -3.462 0.000 -1.009) 3.606 32.877 ( 0.970 0.000 7.357) 7.420 33.091 ( 6.587 0.000 -12.443) 14.079 49.494 ( -26.112 0.000 0.262) 26.113 49.495 ( -25.505 0.000 0.108) 25.506 79.313 ( 47.777 0.000 16.743) 50.626 79.759 ( 49.174 0.000 -26.265) 55.749 84.031 ( -19.927 0.000 0.547) 19.935 84.032 ( -17.615 0.000 0.699) 17.629 107.379 ( -0.247 0.000 0.483) 0.543 107.390 ( -0.395 0.000 -0.485) 0.625 109.671 ( -0.981 0.000 2.185) 2.395 109.714 ( -0.883 0.000 -1.947) 2.138 ======================= Grid point 355 (110/140) ======================= q-point: ( 0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 12.380 0.000 7.430) 14.438 1.765 ( 12.205 0.000 -4.324) 12.949 2.519 ( 6.861 0.000 -0.292) 6.868 2.522 ( 6.294 0.000 -0.904) 6.359 3.046 ( -2.750 0.000 4.728) 5.470 3.139 ( 4.666 0.000 -3.910) 6.087 3.609 ( 7.694 0.000 9.949) 12.577 3.851 ( 9.025 0.000 -12.548) 15.456 4.655 ( 1.236 0.000 2.275) 2.589 4.712 ( 4.539 0.000 -2.998) 5.440 5.160 ( -1.266 0.000 4.684) 4.852 5.269 ( -2.311 0.000 -4.698) 5.236 5.384 ( 1.423 0.000 2.780) 3.123 5.436 ( 3.689 0.000 -2.778) 4.618 6.621 ( -3.413 0.000 5.827) 6.753 6.719 ( -3.496 0.000 -3.194) 4.735 7.145 ( -0.894 0.000 3.608) 3.717 7.162 ( -1.500 0.000 1.609) 2.200 7.877 ( -10.802 0.000 2.440) 11.074 7.988 ( 2.056 0.000 -7.492) 7.769 10.145 ( -5.786 0.000 3.084) 6.557 10.214 ( -0.231 0.000 -3.406) 3.414 11.178 ( 4.051 0.000 0.559) 4.089 11.185 ( 3.644 0.000 -0.158) 3.647 15.844 ( 9.653 0.000 3.785) 10.368 15.930 ( 1.109 0.000 -3.881) 4.036 16.308 ( -0.618 0.000 1.489) 1.613 16.338 ( 3.230 0.000 -1.657) 3.630 19.784 ( 14.182 0.000 5.887) 15.356 19.933 ( 13.138 0.000 -8.327) 15.554 22.478 ( -6.383 0.000 7.672) 9.980 22.638 ( -8.392 0.000 -7.377) 11.174 27.645 ( 30.274 0.000 6.195) 30.901 27.780 ( 31.647 0.000 -6.459) 32.299 31.827 ( -2.133 0.000 5.054) 5.485 31.904 ( 4.630 0.000 -1.424) 4.844 32.902 ( 1.399 0.000 12.507) 12.585 33.210 ( 5.371 0.000 -15.861) 16.746 48.975 ( -25.588 0.000 0.667) 25.596 48.987 ( -25.063 0.000 -0.516) 25.068 80.224 ( 43.974 0.000 17.105) 47.184 80.646 ( 40.612 0.000 -22.965) 46.656 83.615 ( -22.158 0.000 3.200) 22.388 83.678 ( -18.137 0.000 -2.703) 18.338 107.375 ( -0.201 0.000 0.385) 0.434 107.383 ( -0.308 0.000 -0.351) 0.468 109.654 ( -0.702 0.000 2.138) 2.251 109.699 ( -0.716 0.000 -2.036) 2.158 ======================= Grid point 356 (111/140) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 11.022 0.000 6.501) 12.796 1.997 ( 10.838 0.000 -4.890) 11.890 2.629 ( 4.450 0.000 5.108) 6.774 2.643 ( 5.632 0.000 1.465) 5.819 2.955 ( -5.524 0.000 5.734) 7.962 3.167 ( -0.940 0.000 -11.431) 11.470 3.778 ( 8.047 0.000 11.328) 13.895 4.040 ( 8.840 0.000 -13.312) 15.979 4.673 ( 0.976 0.000 4.996) 5.091 4.788 ( 3.508 0.000 -5.879) 6.845 5.146 ( 0.020 0.000 4.619) 4.619 5.230 ( -1.490 0.000 -2.612) 3.007 5.396 ( -0.656 0.000 3.895) 3.949 5.485 ( 0.852 0.000 -4.922) 4.995 6.550 ( -3.499 0.000 5.011) 6.111 6.629 ( -4.966 0.000 -2.356) 5.497 7.103 ( -3.186 0.000 1.151) 3.387 7.113 ( -2.719 0.000 -0.777) 2.827 7.714 ( -5.546 0.000 14.550) 15.571 8.047 ( 3.209 0.000 -15.894) 16.215 10.013 ( -6.325 0.000 7.529) 9.833 10.169 ( -2.865 0.000 -7.184) 7.734 11.266 ( 3.819 0.000 1.224) 4.010 11.283 ( 5.344 0.000 -0.404) 5.359 15.898 ( -2.630 0.000 1.823) 3.200 15.936 ( 0.873 0.000 -1.831) 2.029 16.365 ( 5.061 0.000 3.396) 6.095 16.440 ( 5.374 0.000 -3.732) 6.543 20.023 ( 9.688 0.000 5.269) 11.028 20.150 ( 8.698 0.000 -6.812) 11.048 22.374 ( -4.077 0.000 5.964) 7.224 22.502 ( -5.334 0.000 -6.043) 8.060 28.166 ( 21.653 0.000 7.212) 22.823 28.321 ( 22.403 0.000 -7.385) 23.589 31.797 ( -0.960 0.000 9.330) 9.379 31.985 ( 3.472 0.000 -7.877) 8.608 32.927 ( 1.096 0.000 16.649) 16.685 33.298 ( 3.439 0.000 -17.791) 18.120 48.527 ( -18.904 0.000 1.005) 18.931 48.549 ( -18.513 0.000 -1.032) 18.541 81.020 ( 36.240 0.000 14.276) 38.950 81.349 ( 30.513 0.000 -16.771) 34.818 83.169 ( -22.657 0.000 7.102) 23.744 83.327 ( -17.176 0.000 -7.733) 18.836 107.372 ( -0.128 0.000 0.319) 0.343 107.378 ( -0.193 0.000 -0.260) 0.324 109.643 ( -0.416 0.000 2.043) 2.085 109.687 ( -0.458 0.000 -2.058) 2.108 ======================= Grid point 357 (112/140) ======================= q-point: ( 0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 4.554 0.000 6.680) 8.084 2.163 ( 5.053 0.000 -5.295) 7.319 2.692 ( 1.841 0.000 17.253) 17.351 2.730 ( 2.693 0.000 3.408) 4.344 2.859 ( -3.294 0.000 -2.366) 4.056 3.134 ( -1.597 0.000 -17.252) 17.326 3.892 ( 3.129 0.000 12.359) 12.749 4.165 ( 3.427 0.000 -13.444) 13.874 4.696 ( 0.988 0.000 6.853) 6.924 4.846 ( 1.907 0.000 -7.248) 7.495 5.157 ( 0.759 0.000 3.608) 3.687 5.212 ( -0.372 0.000 -1.247) 1.301 5.365 ( -1.669 0.000 4.664) 4.953 5.478 ( -0.844 0.000 -5.963) 6.022 6.498 ( -1.466 0.000 3.674) 3.956 6.551 ( -2.365 0.000 -1.056) 2.590 7.046 ( -1.865 0.000 -0.708) 1.995 7.073 ( -1.104 0.000 -3.294) 3.474 7.649 ( -1.443 0.000 21.929) 21.976 8.094 ( 1.303 0.000 -20.000) 20.042 9.924 ( -2.367 0.000 10.192) 10.464 10.129 ( -1.071 0.000 -9.101) 9.163 11.319 ( 1.413 0.000 2.368) 2.758 11.359 ( 2.054 0.000 -1.424) 2.500 15.858 ( -1.115 0.000 3.513) 3.686 15.933 ( -0.381 0.000 -3.463) 3.484 16.448 ( 2.438 0.000 2.980) 3.851 16.516 ( 2.044 0.000 -3.458) 4.017 20.154 ( 3.445 0.000 4.829) 5.932 20.267 ( 3.058 0.000 -5.859) 6.609 22.320 ( -1.409 0.000 5.065) 5.257 22.431 ( -1.838 0.000 -5.371) 5.676 28.463 ( 7.890 0.000 7.680) 11.011 28.628 ( 8.124 0.000 -7.818) 11.275 31.786 ( -0.236 0.000 11.576) 11.578 32.034 ( 1.318 0.000 -11.597) 11.672 32.942 ( 0.396 0.000 19.022) 19.026 33.344 ( 1.173 0.000 -18.648) 18.684 48.265 ( -7.002 0.000 1.216) 7.107 48.292 ( -6.852 0.000 -1.337) 6.981 81.600 ( 19.534 0.000 9.540) 21.739 81.809 ( 14.057 0.000 -10.103) 17.311 82.769 ( -14.946 0.000 12.106) 19.234 83.042 ( -9.635 0.000 -13.588) 16.657 107.370 ( -0.044 0.000 0.286) 0.289 107.375 ( -0.066 0.000 -0.213) 0.223 109.638 ( -0.138 0.000 1.980) 1.985 109.681 ( -0.157 0.000 -2.056) 2.062 ======================= Grid point 364 (113/140) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 -3.170 17.451) 17.737 1.380 ( 0.000 6.577 16.386) 17.656 1.481 ( 0.000 -1.276 -9.992) 10.074 1.692 ( 0.000 3.747 -13.194) 13.715 2.631 ( 0.000 4.373 15.567) 16.170 2.952 ( 0.000 4.660 -13.130) 13.932 3.811 ( 0.000 2.113 2.821) 3.525 3.940 ( 0.000 2.571 -8.896) 9.260 3.955 ( 0.000 -4.284 -0.002) 4.284 3.962 ( 0.000 -3.998 -0.755) 4.069 5.247 ( 0.000 -5.908 4.030) 7.152 5.300 ( 0.000 -3.572 -0.921) 3.689 5.758 ( 0.000 4.346 4.197) 6.042 5.882 ( 0.000 7.217 -6.852) 9.951 6.300 ( 0.000 -0.337 3.027) 3.046 6.362 ( 0.000 -0.344 -2.766) 2.787 7.082 ( 0.000 1.211 10.672) 10.741 7.310 ( 0.000 1.059 -10.551) 10.604 8.757 ( 0.000 -8.730 10.928) 13.987 8.772 ( 0.000 1.245 0.225) 1.266 8.779 ( 0.000 1.529 -0.410) 1.583 8.964 ( 0.000 -4.208 -8.931) 9.872 11.580 ( 0.000 0.813 4.161) 4.240 11.660 ( 0.000 0.722 -3.352) 3.428 14.801 ( 0.000 -0.554 14.654) 14.665 15.117 ( 0.000 -0.671 -15.021) 15.036 16.687 ( 0.000 -2.953 6.896) 7.501 16.840 ( 0.000 0.486 -7.640) 7.655 18.836 ( 0.000 0.013 3.019) 3.019 18.903 ( 0.000 -0.227 -3.208) 3.216 23.079 ( 0.000 6.629 15.904) 17.230 23.413 ( 0.000 4.518 -15.513) 16.157 25.725 ( 0.000 -0.041 2.577) 2.577 25.772 ( 0.000 -0.329 -1.788) 1.819 31.620 ( 0.000 0.082 21.647) 21.647 32.075 ( 0.000 -0.091 -21.164) 21.164 32.803 ( 0.000 0.569 3.044) 3.097 32.886 ( 0.000 -0.056 -4.729) 4.729 50.396 ( 0.000 0.737 1.528) 1.696 50.427 ( 0.000 0.662 -1.369) 1.521 77.365 ( 0.000 -0.084 0.116) 0.143 77.368 ( 0.000 -0.104 -0.210) 0.234 84.657 ( 0.000 -0.280 9.989) 9.993 84.877 ( 0.000 8.913 -11.476) 14.531 107.404 ( 0.000 1.303 0.873) 1.568 107.428 ( 0.000 1.807 -1.383) 2.275 109.714 ( 0.000 -0.789 1.723) 1.895 109.750 ( 0.000 -0.289 -1.643) 1.668 ======================= Grid point 365 (114/140) ======================= q-point: ( 0.08 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 2.756 -1.952 13.809) 14.216 1.311 ( -1.084 4.121 6.041) 7.393 1.737 ( 18.568 0.232 -1.900) 18.667 1.845 ( 13.700 3.082 -9.814) 17.132 2.650 ( 2.338 3.835 14.725) 15.395 2.944 ( -0.483 3.853 -11.895) 12.513 3.735 ( -5.312 0.690 2.970) 6.125 3.840 ( -4.600 1.281 -6.485) 8.053 4.109 ( 12.269 -2.338 0.334) 12.494 4.142 ( 12.425 -1.908 -2.998) 12.923 5.214 ( -3.054 -5.383 3.896) 7.313 5.261 ( -3.154 -4.010 -0.494) 5.126 5.667 ( -7.318 3.940 1.896) 8.525 5.737 ( -10.632 6.232 -4.144) 13.002 6.458 ( 10.926 -0.391 0.274) 10.936 6.471 ( 9.735 0.144 -0.796) 9.768 7.062 ( -1.381 1.180 10.089) 10.251 7.275 ( -3.120 0.962 -9.878) 10.404 8.376 ( -15.591 -1.536 12.372) 19.963 8.592 ( -11.324 -0.944 -8.309) 14.077 9.242 ( 23.491 -4.360 2.775) 24.053 9.332 ( 27.404 -4.030 -6.098) 28.362 11.502 ( -7.430 0.902 3.871) 8.427 11.575 ( -8.130 0.772 -2.966) 8.689 14.919 ( 11.403 -0.624 14.150) 18.184 15.231 ( 10.865 -1.003 -15.236) 18.739 16.625 ( -5.980 -3.347 6.309) 9.315 16.756 ( -7.759 0.829 -5.993) 9.839 18.930 ( 9.060 -0.066 3.802) 9.826 19.024 ( 11.457 -0.689 -5.370) 12.672 23.010 ( -6.477 6.370 14.606) 17.200 23.313 ( -9.202 4.349 -13.885) 17.216 25.935 ( 20.012 -0.085 0.740) 20.026 25.949 ( 17.415 -0.141 -0.506) 17.423 31.647 ( 2.690 0.074 19.534) 19.719 32.041 ( -3.218 0.102 -17.044) 17.345 32.838 ( 2.623 -0.410 0.690) 2.743 32.889 ( 1.186 0.880 -4.026) 4.289 50.282 ( -11.414 0.689 1.312) 11.510 50.307 ( -11.942 0.694 -1.001) 12.004 77.648 ( 27.516 -0.708 3.759) 27.780 77.763 ( 37.289 -2.393 -7.867) 38.185 84.571 ( -8.487 -0.045 9.179) 12.501 84.767 ( -10.698 8.176 -9.938) 16.735 107.401 ( -0.266 1.202 0.822) 1.480 107.423 ( -0.467 1.654 -1.220) 2.108 109.706 ( -0.760 -0.657 1.895) 2.145 109.744 ( -0.537 -0.256 -1.723) 1.823 ======================= Grid point 366 (115/140) ======================= q-point: ( 0.15 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 6.777 1.504 9.387) 11.675 1.363 ( 6.498 2.637 3.719) 7.938 2.105 ( 16.787 -0.301 -3.232) 17.098 2.150 ( 15.378 2.410 -6.744) 16.963 2.745 ( 7.781 1.632 11.537) 14.011 2.955 ( 2.185 1.960 -8.097) 8.613 3.623 ( -5.785 0.208 5.428) 7.936 3.767 ( -2.567 2.194 -8.039) 8.719 4.372 ( 13.114 -0.956 0.678) 13.166 4.403 ( 12.630 -1.256 -2.306) 12.900 5.154 ( -1.959 -4.459 4.016) 6.312 5.215 ( -0.658 -4.438 -1.144) 4.630 5.524 ( -6.693 3.140 -0.702) 7.426 5.538 ( -9.016 4.441 -2.104) 10.268 6.643 ( 8.128 0.418 1.627) 8.300 6.653 ( 5.821 0.202 0.761) 5.874 7.066 ( 2.645 0.621 6.213) 6.781 7.206 ( -3.391 0.624 -6.994) 7.798 8.131 ( -9.691 -0.569 11.786) 15.269 8.359 ( -12.560 -1.551 -9.653) 15.917 9.710 ( 22.707 -3.502 4.423) 23.398 9.833 ( 21.302 -5.523 -7.422) 23.224 11.322 ( -9.733 0.905 2.845) 10.181 11.374 ( -11.094 0.847 -2.029) 11.310 15.213 ( 17.393 -0.768 12.423) 21.388 15.499 ( 15.055 -1.533 -14.464) 20.933 16.474 ( -8.699 -3.973 5.674) 11.120 16.577 ( -9.485 1.097 -4.028) 10.363 19.169 ( 14.543 -0.292 5.201) 15.447 19.307 ( 16.227 -1.206 -8.290) 18.262 22.851 ( -8.932 5.820 11.903) 15.979 23.096 ( -11.970 3.971 -11.031) 16.755 26.408 ( 28.339 -0.014 2.207) 28.425 26.458 ( 31.274 0.070 -2.498) 31.373 31.719 ( 4.353 0.130 13.964) 14.627 31.965 ( -4.127 0.407 -8.946) 9.861 32.860 ( 0.429 -0.574 2.726) 2.818 32.971 ( 6.062 0.999 -8.032) 10.112 49.961 ( -20.619 0.524 0.844) 20.643 49.975 ( -21.143 0.723 -0.405) 21.159 78.372 ( 43.750 -1.782 10.750) 45.086 78.678 ( 51.745 -5.576 -19.327) 55.518 84.340 ( -14.449 0.408 6.940) 16.034 84.480 ( -17.780 6.242 -6.590) 19.963 107.395 ( -0.406 0.949 0.691) 1.242 107.412 ( -0.672 1.270 -0.892) 1.692 109.688 ( -1.014 -0.407 2.147) 2.409 109.730 ( -0.826 -0.181 -1.890) 2.070 ======================= Grid point 367 (116/140) ======================= q-point: ( 0.23 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 9.845 4.400 7.727) 13.266 1.549 ( 11.497 1.586 0.053) 11.605 2.361 ( 9.558 0.101 -2.037) 9.773 2.395 ( 9.212 2.223 -5.316) 10.865 2.936 ( 9.584 -2.233 5.954) 11.501 3.041 ( 5.925 0.861 -3.683) 7.029 3.535 ( -1.875 -0.403 9.562) 9.752 3.756 ( 1.935 2.033 -11.059) 11.410 4.575 ( 6.376 -1.125 0.734) 6.516 4.597 ( 7.268 -0.203 -1.300) 7.386 5.155 ( 1.438 -2.631 4.232) 5.186 5.251 ( 3.648 -3.436 -3.528) 6.129 5.391 ( -5.425 1.443 -0.104) 5.614 5.417 ( -3.786 1.512 -1.632) 4.391 6.688 ( -1.103 1.238 4.935) 5.206 6.755 ( 2.573 1.369 -0.738) 3.006 7.141 ( 2.957 -0.215 2.188) 3.685 7.160 ( -0.745 0.307 -0.576) 0.990 7.995 ( -3.980 -0.425 3.732) 5.472 8.102 ( -13.042 -1.636 -5.964) 14.434 10.071 ( 12.140 -3.319 1.642) 12.692 10.118 ( 7.218 -4.256 -2.857) 8.853 11.173 ( -4.121 0.322 1.111) 4.281 11.195 ( -5.499 0.757 -0.807) 5.609 15.560 ( 16.770 -0.973 9.017) 19.066 15.772 ( 11.297 -2.267 -10.789) 15.785 16.320 ( -5.614 -3.539 4.897) 8.247 16.409 ( -6.989 0.614 -3.323) 7.763 19.475 ( 15.929 -0.598 5.993) 17.029 19.631 ( 16.137 -1.124 -9.073) 18.547 22.677 ( -8.441 5.223 9.179) 13.520 22.866 ( -10.975 3.561 -8.569) 14.372 27.018 ( 32.579 0.178 4.510) 32.890 27.118 ( 34.666 0.117 -4.842) 35.003 31.812 ( 4.972 0.297 6.485) 8.178 31.889 ( -3.355 0.631 -1.263) 3.640 32.875 ( 1.144 -0.136 7.651) 7.737 33.097 ( 6.422 0.565 -12.851) 14.378 49.495 ( -25.939 0.291 0.563) 25.947 49.504 ( -25.856 0.677 -0.222) 25.866 79.289 ( 47.731 -2.265 15.328) 50.183 79.691 ( 49.460 -6.288 -23.337) 55.049 84.020 ( -17.761 0.687 3.753) 18.166 84.092 ( -21.046 3.835 -3.100) 21.616 107.386 ( -0.408 0.648 0.524) 0.928 107.398 ( -0.653 0.805 -0.586) 1.190 109.669 ( -0.895 -0.209 2.218) 2.401 109.713 ( -0.848 -0.106 -2.017) 2.190 ======================= Grid point 368 (117/140) ======================= q-point: ( 0.31 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 11.963 4.419 6.671) 14.392 1.789 ( 12.408 2.050 -2.932) 12.913 2.510 ( 5.995 0.051 0.101) 5.996 2.539 ( 6.436 1.142 -2.577) 7.026 3.029 ( -0.940 -1.419 5.757) 6.003 3.142 ( 3.681 -0.249 -4.648) 5.934 3.593 ( 7.221 -1.409 10.821) 13.085 3.853 ( 7.605 0.030 -13.274) 15.298 4.639 ( 1.326 -1.413 2.788) 3.395 4.704 ( 3.893 -0.801 -3.262) 5.141 5.165 ( -0.802 0.314 4.302) 4.387 5.261 ( -2.757 -0.570 -3.485) 4.480 5.365 ( 1.160 -1.759 1.422) 2.542 5.409 ( 3.109 -2.316 -2.877) 4.828 6.643 ( -3.053 1.983 5.948) 6.974 6.744 ( -3.166 2.183 -3.363) 5.109 7.144 ( -0.949 -0.112 3.793) 3.911 7.165 ( -1.272 0.258 1.500) 1.984 7.858 ( -10.352 -1.686 3.225) 10.973 7.984 ( 1.688 -0.368 -8.027) 8.211 10.111 ( -4.797 -3.105 3.742) 6.830 10.193 ( -0.046 -2.005 -3.996) 4.471 11.173 ( 3.659 -0.306 0.827) 3.764 11.187 ( 3.463 0.045 -0.383) 3.485 15.824 ( 8.297 -1.939 3.417) 9.180 15.890 ( 1.175 -3.641 -2.138) 4.382 16.294 ( 1.906 -1.053 1.217) 2.495 16.339 ( 1.692 -0.216 -2.653) 3.153 19.774 ( 13.969 -0.957 6.088) 15.269 19.926 ( 13.451 -0.640 -8.381) 15.862 22.527 ( -6.675 4.650 6.942) 10.695 22.673 ( -8.518 3.247 -6.738) 11.336 27.648 ( 30.321 0.299 6.111) 30.932 27.781 ( 31.620 0.102 -6.335) 32.248 31.836 ( -2.034 0.794 4.902) 5.366 31.909 ( 4.757 0.548 -1.307) 4.963 32.902 ( 1.485 0.080 12.623) 12.711 33.215 ( 5.314 0.398 -16.052) 16.914 48.977 ( -25.608 0.247 0.753) 25.621 48.992 ( -25.202 0.410 -0.603) 25.213 80.202 ( 44.194 -2.079 15.880) 47.006 80.590 ( 41.416 -5.236 -20.927) 46.697 83.630 ( -22.273 1.390 2.785) 22.489 83.688 ( -19.187 0.914 -2.624) 19.387 107.379 ( -0.335 0.380 0.369) 0.627 107.387 ( -0.509 0.381 -0.354) 0.727 109.653 ( -0.655 -0.092 2.147) 2.246 109.698 ( -0.695 -0.054 -2.065) 2.179 ======================= Grid point 369 (118/140) ======================= q-point: ( 0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 10.441 3.478 6.042) 12.555 2.019 ( 10.458 1.916 -3.966) 11.348 2.612 ( 4.717 -0.538 3.906) 6.148 2.660 ( 5.556 0.829 0.121) 5.619 2.954 ( -5.303 0.086 7.176) 8.924 3.172 ( -0.414 0.308 -10.728) 10.740 3.754 ( 7.733 -2.328 11.090) 13.719 4.016 ( 7.840 -2.345 -13.538) 15.819 4.656 ( 0.762 -1.567 4.932) 5.230 4.768 ( 2.952 -1.897 -5.695) 6.689 5.146 ( -0.715 -0.054 3.764) 3.832 5.210 ( -2.127 -1.779 -1.721) 3.264 5.377 ( -0.289 -1.744 3.383) 3.817 5.463 ( 1.502 -1.958 -5.030) 5.603 6.577 ( -3.403 2.462 5.301) 6.764 6.657 ( -4.872 2.565 -2.237) 5.943 7.100 ( -3.214 -0.278 0.980) 3.372 7.120 ( -2.676 0.623 -0.968) 2.913 7.706 ( -5.010 -0.789 14.772) 15.619 8.039 ( 3.017 -0.799 -15.735) 16.041 9.992 ( -5.863 -1.907 7.647) 9.823 10.151 ( -2.803 -1.728 -7.286) 7.996 11.258 ( 3.900 -0.676 1.538) 4.247 11.283 ( 5.190 -0.107 -0.788) 5.251 15.834 ( -2.678 -5.375 4.621) 7.577 15.927 ( 0.589 -1.543 -4.170) 4.485 16.365 ( 5.079 -0.032 3.053) 5.926 16.437 ( 5.533 -0.291 -3.742) 6.686 20.009 ( 9.491 -1.315 5.915) 11.260 20.149 ( 8.975 -0.102 -7.397) 11.631 22.418 ( -4.302 4.152 5.398) 8.055 22.535 ( -5.377 3.093 -5.573) 8.339 28.170 ( 21.671 0.360 7.059) 22.794 28.322 ( 22.350 0.013 -7.192) 23.479 31.807 ( -0.880 0.963 9.234) 9.326 31.993 ( 3.594 0.791 -7.784) 8.610 32.929 ( 1.136 0.192 16.700) 16.740 33.302 ( 3.420 0.339 -17.879) 18.206 48.529 ( -18.934 0.187 1.028) 18.963 48.551 ( -18.590 0.221 -1.044) 18.620 81.003 ( 36.514 -1.611 13.376) 38.920 81.309 ( 31.288 -3.764 -15.507) 35.122 83.175 ( -23.191 0.521 6.676) 24.139 83.325 ( -17.592 -0.150 -7.463) 19.110 107.373 ( -0.236 0.162 0.283) 0.403 107.379 ( -0.297 0.094 -0.226) 0.385 109.643 ( -0.394 -0.032 2.044) 2.081 109.687 ( -0.447 -0.026 -2.063) 2.111 ======================= Grid point 370 (119/140) ======================= q-point: ( 0.46 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.269 2.627 6.120) 7.911 2.175 ( 4.563 1.018 -4.336) 6.376 2.700 ( 4.115 0.027 8.706) 9.630 2.740 ( 1.718 1.627 8.113) 8.451 2.852 ( -4.086 -0.437 -0.171) 4.113 3.147 ( -1.342 1.294 -16.166) 16.273 3.865 ( 3.062 -2.754 11.735) 12.437 4.129 ( 3.100 -3.615 -13.226) 14.057 4.673 ( 0.718 -2.106 6.458) 6.831 4.818 ( 1.625 -2.764 -7.170) 7.854 5.141 ( 0.030 -1.523 2.885) 3.263 5.183 ( -0.594 -2.628 -0.850) 2.825 5.357 ( -1.165 -0.735 4.779) 4.974 5.471 ( -0.219 -0.732 -5.983) 6.032 6.524 ( -1.627 2.417 4.263) 5.163 6.580 ( -2.298 2.714 -0.857) 3.658 7.042 ( -1.883 -0.278 -0.492) 1.966 7.080 ( -1.101 0.585 -3.890) 4.085 7.649 ( -1.203 0.003 21.509) 21.543 8.083 ( 1.231 -1.058 -19.404) 19.471 9.910 ( -2.208 -1.343 9.988) 10.317 10.111 ( -1.064 -1.684 -8.983) 9.201 11.312 ( 1.439 -0.637 2.571) 3.014 11.358 ( 2.042 -0.167 -1.734) 2.684 15.793 ( -1.149 -5.640 6.123) 8.404 15.921 ( -0.419 -1.613 -5.956) 6.185 16.447 ( 2.407 -0.075 2.975) 3.827 16.515 ( 2.101 -0.080 -3.467) 4.055 20.137 ( 3.361 -1.544 5.787) 6.868 20.270 ( 3.169 0.231 -6.792) 7.498 22.361 ( -1.499 3.842 4.631) 6.201 22.464 ( -1.840 3.062 -5.036) 6.175 28.467 ( 7.892 0.377 7.481) 10.881 28.627 ( 8.097 -0.073 -7.573) 11.087 31.798 ( -0.202 1.077 11.515) 11.567 32.044 ( 1.372 0.965 -11.537) 11.658 32.945 ( 0.406 0.235 19.059) 19.065 33.347 ( 1.168 0.318 -18.692) 18.732 48.267 ( -7.013 0.148 1.212) 7.119 48.294 ( -6.878 0.127 -1.320) 7.004 81.587 ( 19.683 -1.182 8.917) 21.641 81.781 ( 14.532 -2.573 -9.364) 17.478 82.766 ( -15.262 -0.285 11.832) 19.314 83.034 ( -9.887 -0.802 -13.330) 16.616 107.370 ( -0.090 0.010 0.273) 0.288 107.375 ( -0.091 -0.018 -0.196) 0.217 109.638 ( -0.131 -0.006 1.978) 1.982 109.681 ( -0.154 -0.014 -2.050) 2.056 ======================= Grid point 377 (120/140) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 1.075 14.370) 14.410 1.442 ( 0.000 -2.344 -12.675) 12.890 1.551 ( 0.000 9.744 12.386) 15.759 1.789 ( 0.000 5.384 -10.034) 11.387 2.709 ( 0.000 2.308 15.113) 15.288 3.031 ( 0.000 2.536 -14.305) 14.528 3.841 ( 0.000 -6.554 0.270) 6.560 3.855 ( 0.000 -6.205 -1.091) 6.300 3.893 ( 0.000 6.122 5.080) 7.955 4.023 ( 0.000 5.303 -6.804) 8.626 5.176 ( 0.000 -0.707 5.796) 5.839 5.270 ( 0.000 1.019 -2.406) 2.613 5.815 ( 0.000 1.097 5.419) 5.529 5.980 ( 0.000 1.831 -9.321) 9.499 6.292 ( 0.000 -0.424 2.957) 2.988 6.353 ( 0.000 -0.469 -2.792) 2.831 7.113 ( 0.000 1.731 10.463) 10.606 7.337 ( 0.000 1.444 -10.322) 10.422 8.551 ( 0.000 -10.709 15.266) 18.647 8.805 ( 0.000 1.864 0.466) 1.921 8.816 ( 0.000 1.977 -0.549) 2.052 8.851 ( 0.000 -6.408 -13.586) 15.021 11.599 ( 0.000 0.909 3.877) 3.982 11.670 ( 0.000 0.177 -2.805) 2.811 14.786 ( 0.000 -0.789 14.554) 14.576 15.099 ( 0.000 -0.954 -14.836) 14.866 16.602 ( 0.000 -5.090 11.244) 12.342 16.843 ( 0.000 -0.458 -11.754) 11.763 18.837 ( 0.000 0.031 2.643) 2.644 18.897 ( 0.000 -0.332 -2.995) 3.014 23.246 ( 0.000 9.155 13.590) 16.386 23.532 ( 0.000 6.712 -13.272) 14.873 25.725 ( 0.000 -0.013 2.176) 2.176 25.763 ( 0.000 -0.508 -1.428) 1.516 31.622 ( 0.000 0.116 21.461) 21.461 32.073 ( 0.000 -0.130 -20.934) 20.935 32.814 ( 0.000 0.478 1.982) 2.039 32.883 ( 0.000 -0.245 -4.500) 4.507 50.413 ( 0.000 0.848 1.439) 1.670 50.442 ( 0.000 0.736 -1.300) 1.494 77.363 ( 0.000 -0.116 0.086) 0.144 77.366 ( 0.000 -0.150 -0.187) 0.240 84.689 ( 0.000 2.854 15.698) 15.955 85.045 ( 0.000 7.201 -18.508) 19.860 107.436 ( 0.000 1.656 1.211) 2.051 107.470 ( 0.000 2.089 -2.037) 2.918 109.696 ( 0.000 -0.870 2.255) 2.417 109.742 ( 0.000 -0.388 -2.123) 2.158 ======================= Grid point 378 (121/140) ======================= q-point: ( 0.08 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 4.163 1.310 12.109) 12.871 1.383 ( -0.799 2.202 -3.776) 4.443 1.780 ( 16.966 4.471 3.291) 17.851 1.928 ( 12.769 4.858 -8.422) 16.049 2.714 ( 0.752 1.519 14.000) 14.103 3.009 ( -1.825 1.990 -13.089) 13.365 3.755 ( -5.363 0.683 4.373) 6.953 3.854 ( -0.985 -0.807 -4.731) 4.899 4.066 ( 13.115 -0.811 1.694) 13.249 4.125 ( 10.615 0.969 -3.799) 11.316 5.137 ( -3.642 -1.742 5.180) 6.567 5.214 ( -4.728 -0.368 -1.517) 4.979 5.727 ( -7.005 1.844 2.707) 7.733 5.829 ( -10.970 2.376 -6.171) 12.808 6.450 ( 11.261 -0.451 0.733) 11.294 6.470 ( 9.867 -0.233 -1.089) 9.929 7.090 ( -1.779 1.450 9.856) 10.120 7.298 ( -3.505 1.162 -9.623) 10.308 8.324 ( -12.719 -3.576 13.238) 18.704 8.561 ( -12.199 -2.053 -9.211) 15.423 9.152 ( 23.739 -3.904 2.834) 24.224 9.241 ( 24.077 -4.472 -5.914) 25.193 11.523 ( -7.285 1.012 3.549) 8.166 11.587 ( -7.937 0.339 -2.474) 8.321 14.903 ( 11.246 -0.884 13.913) 17.912 15.207 ( 10.248 -1.296 -14.635) 17.913 16.536 ( -6.269 -5.077 10.894) 13.555 16.763 ( -7.444 -0.276 -10.685) 13.026 18.928 ( 8.837 -0.099 3.201) 9.399 19.007 ( 10.594 -0.896 -4.406) 11.508 23.171 ( -7.043 8.833 12.291) 16.694 23.426 ( -9.728 6.309 -11.683) 16.460 25.934 ( 19.492 -0.045 0.695) 19.504 25.945 ( 18.327 -0.166 -0.395) 18.332 31.649 ( 2.707 0.122 19.492) 19.679 32.043 ( -2.848 0.081 -17.227) 17.461 32.832 ( 1.167 -0.239 1.551) 1.956 32.904 ( 2.648 0.517 -5.468) 6.098 50.298 ( -11.520 0.803 1.302) 11.621 50.323 ( -11.861 0.806 -1.063) 11.936 77.631 ( 26.229 -0.843 2.708) 26.382 77.709 ( 32.927 -2.716 -4.903) 33.401 84.604 ( -8.409 2.779 14.262) 16.788 84.924 ( -11.862 6.806 -16.426) 21.374 107.431 ( -0.491 1.541 1.138) 1.977 107.462 ( -0.774 1.955 -1.818) 2.780 109.691 ( -0.513 -0.748 2.297) 2.469 109.738 ( -0.456 -0.342 -2.142) 2.217 ======================= Grid point 379 (122/140) ======================= q-point: ( 0.15 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 9.510 1.598 8.206) 12.662 1.434 ( 5.730 3.296 -0.996) 6.685 2.128 ( 16.641 3.048 1.005) 16.948 2.223 ( 15.383 4.634 -6.698) 17.406 2.755 ( 3.994 -1.037 11.008) 11.756 2.983 ( -0.015 0.362 -10.229) 10.235 3.638 ( -6.311 1.248 8.231) 10.446 3.819 ( -1.861 2.530 -8.869) 9.409 4.353 ( 14.260 -0.680 0.924) 14.306 4.384 ( 13.552 -0.383 -1.914) 13.692 5.063 ( -2.572 -3.952 4.595) 6.584 5.137 ( -1.900 -3.138 -1.908) 4.135 5.584 ( -7.278 2.623 -0.211) 7.739 5.618 ( -9.969 3.040 -3.298) 10.932 6.652 ( 9.030 0.488 1.522) 9.170 6.659 ( 7.161 0.446 0.806) 7.220 7.077 ( 1.333 0.351 6.692) 6.832 7.219 ( -3.982 0.507 -6.811) 7.906 8.113 ( -8.752 -1.192 10.322) 13.585 8.318 ( -12.873 -2.337 -8.803) 15.769 9.626 ( 23.015 -4.346 2.682) 23.575 9.705 ( 21.033 -6.464 -4.798) 22.521 11.343 ( -9.917 1.065 2.627) 10.314 11.390 ( -10.990 0.609 -1.729) 11.142 15.193 ( 17.198 -1.072 11.928) 20.957 15.462 ( 14.369 -1.978 -13.218) 19.624 16.381 ( -8.540 -4.858 10.151) 14.127 16.584 ( -9.836 -0.331 -8.995) 13.333 19.161 ( 14.169 -0.449 4.451) 14.858 19.277 ( 15.931 -1.576 -6.758) 17.377 23.000 ( -9.663 8.151 9.627) 15.890 23.197 ( -12.612 5.528 -8.905) 16.399 26.408 ( 28.636 -0.013 2.442) 28.740 26.461 ( 31.342 0.270 -2.587) 31.450 31.722 ( 4.505 0.214 14.150) 14.851 31.974 ( -3.779 0.474 -9.480) 10.217 32.850 ( 0.881 -0.416 3.869) 3.990 32.991 ( 5.658 0.805 -9.533) 11.115 49.974 ( -20.845 0.661 1.029) 20.881 49.992 ( -21.139 0.876 -0.681) 21.168 78.329 ( 42.676 -2.140 8.014) 43.475 78.547 ( 49.028 -6.749 -12.968) 51.162 84.374 ( -14.544 2.486 10.503) 18.112 84.604 ( -19.843 5.571 -11.509) 23.606 107.418 ( -0.763 1.238 0.942) 1.732 107.442 ( -1.177 1.578 -1.333) 2.377 109.678 ( -0.742 -0.493 2.336) 2.500 109.726 ( -0.723 -0.241 -2.174) 2.304 ======================= Grid point 380 (123/140) ======================= q-point: ( 0.23 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 12.165 2.857 5.132) 13.509 1.596 ( 10.458 3.192 0.704) 10.957 2.386 ( 9.424 2.870 0.894) 9.892 2.470 ( 8.756 5.229 -6.458) 12.071 2.879 ( 7.925 -3.491 7.292) 11.321 3.029 ( 4.314 -2.529 -6.953) 8.565 3.536 ( -2.935 0.620 12.343) 12.702 3.801 ( 0.391 2.070 -12.614) 12.789 4.558 ( 5.585 -0.359 1.496) 5.793 4.592 ( 7.141 -0.208 -1.565) 7.313 5.081 ( 4.213 -4.156 3.875) 7.073 5.168 ( 4.895 -4.550 -3.460) 7.526 5.434 ( -7.915 2.408 -0.532) 8.290 5.454 ( -6.523 1.972 -1.847) 7.060 6.719 ( -0.120 1.751 4.691) 5.009 6.786 ( 3.670 1.532 -0.915) 4.081 7.133 ( 2.538 -0.670 3.217) 4.152 7.165 ( -0.772 0.135 -0.765) 1.095 7.985 ( -4.300 -0.472 2.093) 4.806 8.060 ( -12.602 -2.410 -4.596) 13.629 9.985 ( 10.587 -4.865 1.256) 11.719 10.020 ( 11.374 -4.854 -2.107) 12.545 11.183 ( -5.011 0.611 1.369) 5.230 11.208 ( -5.977 0.509 -0.860) 6.060 15.535 ( 16.373 -1.346 8.155) 18.341 15.714 ( 9.418 -3.335 -8.045) 12.827 16.246 ( -3.675 -3.617 7.301) 8.938 16.406 ( -7.544 -0.771 -7.322) 10.541 19.459 ( 15.489 -0.914 5.657) 16.515 19.603 ( 16.565 -1.481 -8.125) 18.510 22.811 ( -9.189 7.388 7.019) 13.721 22.955 ( -11.518 4.787 -6.581) 14.103 27.023 ( 32.782 0.253 4.548) 33.097 27.122 ( 34.670 0.302 -4.764) 34.997 31.820 ( 5.242 0.451 6.783) 8.585 31.905 ( -3.087 0.815 -1.764) 3.647 32.873 ( 1.462 -0.104 8.194) 8.324 33.110 ( 6.185 0.623 -13.661) 15.009 49.504 ( -26.085 0.484 0.871) 26.104 49.519 ( -26.075 0.776 -0.571) 26.093 79.234 ( 47.584 -2.783 11.918) 49.133 79.537 ( 49.766 -8.146 -16.978) 53.209 84.050 ( -17.993 1.947 5.574) 18.937 84.171 ( -23.513 3.673 -5.945) 24.530 107.402 ( -0.778 0.849 0.666) 1.330 107.418 ( -1.201 1.058 -0.822) 1.800 109.664 ( -0.710 -0.269 2.283) 2.406 109.711 ( -0.767 -0.143 -2.174) 2.310 ======================= Grid point 381 (124/140) ======================= q-point: ( 0.31 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 11.591 4.782 4.360) 13.275 1.829 ( 12.466 1.707 0.071) 12.582 2.526 ( 5.459 1.618 0.831) 5.754 2.586 ( 4.440 3.890 -4.749) 7.576 3.000 ( 2.043 -1.305 6.006) 6.476 3.110 ( 3.949 -3.195 -4.106) 6.532 3.561 ( 5.276 -1.537 11.529) 12.772 3.845 ( 4.127 -0.933 -14.521) 15.125 4.609 ( 0.901 -1.341 3.213) 3.596 4.679 ( 2.532 -1.598 -3.327) 4.476 5.162 ( 1.991 -0.673 3.748) 4.297 5.249 ( -1.320 -1.017 -3.211) 3.618 5.324 ( -0.797 -1.580 0.841) 1.959 5.367 ( -0.520 -1.574 -2.999) 3.426 6.690 ( -2.320 2.445 5.894) 6.789 6.792 ( -2.470 2.289 -3.576) 4.912 7.139 ( -1.119 -0.357 3.950) 4.121 7.171 ( -0.528 0.389 1.155) 1.328 7.818 ( -9.618 -2.063 5.040) 11.053 7.975 ( 1.305 -0.487 -8.986) 9.093 10.036 ( -2.988 -3.970 4.873) 6.960 10.140 ( 0.684 -2.972 -5.022) 5.875 11.168 ( 2.859 -0.220 1.023) 3.044 11.185 ( 2.985 -0.188 -0.511) 3.034 15.761 ( 1.037 -4.486 4.196) 6.230 15.811 ( 5.771 -3.356 -0.383) 6.688 16.274 ( 4.731 -0.814 0.253) 4.807 16.325 ( 0.959 -1.050 -3.935) 4.184 19.749 ( 13.542 -1.367 6.596) 15.125 19.910 ( 14.125 -0.879 -8.564) 16.542 22.646 ( -7.405 6.589 5.050) 11.125 22.753 ( -8.832 4.281 -5.046) 11.036 27.656 ( 30.443 0.432 5.946) 31.021 27.784 ( 31.515 0.215 -6.077) 32.097 31.856 ( -1.787 1.104 4.562) 5.022 31.924 ( 5.075 0.781 -1.029) 5.237 32.905 ( 1.673 0.137 12.858) 12.968 33.224 ( 5.220 0.511 -16.467) 17.282 48.984 ( -25.697 0.357 0.922) 25.716 49.002 ( -25.472 0.530 -0.768) 25.489 80.151 ( 44.650 -2.612 12.829) 46.530 80.458 ( 43.101 -7.128 -16.204) 46.595 83.664 ( -22.399 1.829 1.877) 22.552 83.710 ( -21.661 1.053 -2.339) 21.812 107.388 ( -0.634 0.487 0.376) 0.883 107.396 ( -0.977 0.533 -0.392) 1.180 109.651 ( -0.551 -0.123 2.163) 2.236 109.697 ( -0.646 -0.074 -2.131) 2.228 ======================= Grid point 382 (125/140) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 9.255 4.296 4.511) 11.156 2.055 ( 9.817 1.259 -1.140) 9.962 2.616 ( 4.043 0.669 1.810) 4.479 2.679 ( 4.978 1.429 -3.297) 6.139 2.966 ( -3.815 1.347 9.612) 10.428 3.175 ( 1.888 -0.058 -8.458) 8.667 3.689 ( 6.398 -3.929 9.901) 12.426 3.944 ( 5.166 -4.745 -13.791) 15.472 4.618 ( 0.257 -1.919 4.347) 4.758 4.717 ( 1.575 -3.100 -4.939) 6.040 5.145 ( -2.280 -0.021 1.917) 2.979 5.171 ( -3.924 -1.713 -0.240) 4.288 5.336 ( 0.852 -1.991 2.740) 3.493 5.417 ( 2.685 -2.483 -5.008) 6.201 6.637 ( -2.944 3.143 5.725) 7.164 6.717 ( -4.463 2.996 -1.800) 5.669 7.092 ( -3.191 -0.451 1.115) 3.410 7.134 ( -2.748 0.719 -2.377) 3.704 7.688 ( -3.650 -0.778 15.421) 15.866 8.020 ( 2.547 -0.908 -15.218) 15.457 9.945 ( -4.836 -2.572 7.768) 9.504 10.106 ( -2.678 -2.554 -7.412) 8.284 11.243 ( 3.788 -0.764 1.923) 4.316 11.278 ( 5.098 -0.371 -1.343) 5.285 15.709 ( -3.266 -6.490 8.509) 11.188 15.877 ( 0.354 -3.030 -7.301) 7.912 16.363 ( 5.146 -0.133 2.501) 5.723 16.429 ( 5.999 -0.427 -3.674) 7.048 19.976 ( 9.183 -1.697 7.269) 11.835 20.145 ( 9.491 -0.281 -8.615) 12.821 22.524 ( -4.899 5.803 3.948) 8.559 22.612 ( -5.453 4.107 -4.348) 8.094 28.179 ( 21.722 0.530 6.693) 22.736 28.322 ( 22.197 0.040 -6.728) 23.194 31.832 ( -0.678 1.356 9.022) 9.148 32.014 ( 3.895 1.135 -7.572) 8.590 32.934 ( 1.228 0.280 16.808) 16.855 33.310 ( 3.382 0.463 -18.077) 18.397 48.534 ( -19.005 0.263 1.077) 19.038 48.556 ( -18.766 0.301 -1.067) 18.799 80.963 ( 37.122 -2.056 11.070) 38.792 81.213 ( 33.033 -5.304 -12.439) 35.694 83.187 ( -24.427 0.623 5.758) 25.105 83.321 ( -18.530 -0.242 -6.833) 19.751 107.377 ( -0.481 0.218 0.203) 0.566 107.381 ( -0.550 0.124 -0.145) 0.582 109.642 ( -0.342 -0.043 2.043) 2.072 109.686 ( -0.423 -0.036 -2.074) 2.117 ======================= Grid point 383 (126/140) ======================= q-point: ( 0.46 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 3.632 3.333 4.602) 6.744 2.194 ( 3.787 0.585 -1.646) 4.170 2.687 ( 2.633 -0.936 2.585) 3.806 2.771 ( 4.060 0.003 -3.085) 5.099 2.880 ( -4.383 4.486 12.734) 14.195 3.186 ( -0.167 2.664 -13.243) 13.509 3.783 ( 2.648 -5.272 9.937) 11.556 4.022 ( 2.198 -6.942 -12.577) 14.532 4.623 ( 0.165 -2.571 5.123) 5.734 4.742 ( 0.825 -4.459 -6.178) 7.663 5.103 ( -1.486 -2.080 1.646) 3.041 5.124 ( -0.909 -2.689 -0.182) 2.844 5.342 ( -0.078 -0.533 4.431) 4.464 5.449 ( 0.691 -1.449 -5.656) 5.879 6.587 ( -1.667 3.558 5.233) 6.544 6.645 ( -2.137 3.388 0.051) 4.006 7.037 ( -1.796 -0.223 -0.459) 1.867 7.091 ( -1.211 0.431 -5.146) 5.305 7.652 ( -0.637 0.341 20.418) 20.430 8.057 ( 1.028 -1.322 -17.859) 17.937 9.876 ( -1.845 -1.846 9.373) 9.730 10.067 ( -1.065 -2.537 -8.583) 9.014 11.297 ( 1.461 -0.813 2.891) 3.340 11.352 ( 2.042 -0.383 -2.315) 3.110 15.662 ( -1.264 -6.747 9.938) 12.078 15.869 ( -0.487 -3.261 -9.510) 10.065 16.445 ( 2.375 -0.115 2.982) 3.814 16.513 ( 2.230 -0.117 -3.478) 4.133 20.101 ( 3.251 -1.861 7.637) 8.506 20.273 ( 3.352 0.047 -8.591) 9.222 22.458 ( -1.736 5.286 3.557) 6.603 22.540 ( -1.834 4.118 -4.201) 6.162 28.477 ( 7.902 0.565 6.981) 10.559 28.625 ( 8.022 -0.110 -6.963) 10.623 31.825 ( -0.117 1.523 11.385) 11.487 32.069 ( 1.503 1.389 -11.405) 11.587 32.951 ( 0.428 0.335 19.140) 19.148 33.355 ( 1.156 0.440 -18.794) 18.834 48.271 ( -7.040 0.210 1.200) 7.144 48.297 ( -6.939 0.174 -1.275) 7.057 81.558 ( 20.050 -1.486 7.242) 21.369 81.714 ( 15.580 -3.785 -7.437) 17.674 82.759 ( -15.961 -0.423 11.209) 19.508 83.013 ( -10.483 -1.115 -12.725) 16.524 107.370 ( -0.204 0.002 0.254) 0.326 107.375 ( -0.149 -0.020 -0.164) 0.223 109.638 ( -0.116 -0.008 1.972) 1.975 109.680 ( -0.147 -0.020 -2.035) 2.041 ======================= Grid point 390 (127/140) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 5.056 5.668) 7.595 1.391 ( 0.000 -2.795 -10.345) 10.716 1.739 ( 0.000 7.975 7.846) 11.187 1.884 ( 0.000 3.459 -5.866) 6.811 2.714 ( 0.000 -1.202 15.401) 15.448 3.058 ( 0.000 0.503 -16.172) 16.180 3.716 ( 0.000 -5.109 0.442) 5.128 3.736 ( 0.000 -4.939 -1.435) 5.143 4.031 ( 0.000 6.494 4.800) 8.075 4.119 ( 0.000 3.370 -3.404) 4.790 5.207 ( 0.000 2.990 7.983) 8.525 5.327 ( 0.000 3.621 -1.958) 4.116 5.817 ( 0.000 0.000 2.757) 2.757 5.958 ( 0.000 -3.369 -9.190) 9.788 6.285 ( 0.000 -0.268 2.867) 2.880 6.345 ( 0.000 -0.320 -2.786) 2.804 7.144 ( 0.000 1.202 10.373) 10.443 7.361 ( 0.000 0.832 -9.773) 9.808 8.365 ( 0.000 -7.042 18.025) 19.352 8.733 ( 0.000 -4.645 -17.257) 17.871 8.839 ( 0.000 1.334 0.561) 1.447 8.851 ( 0.000 1.329 -0.543) 1.435 11.614 ( 0.000 0.569 3.100) 3.151 11.667 ( 0.000 -0.351 -1.832) 1.865 14.772 ( 0.000 -0.563 14.454) 14.465 15.082 ( 0.000 -0.678 -14.653) 14.669 16.507 ( 0.000 -3.787 15.226) 15.690 16.824 ( 0.000 -1.070 -14.851) 14.890 18.838 ( 0.000 0.034 2.248) 2.249 18.890 ( 0.000 -0.246 -2.761) 2.772 23.410 ( 0.000 6.358 11.643) 13.266 23.655 ( 0.000 4.811 -11.310) 12.291 25.725 ( 0.000 0.056 1.671) 1.672 25.753 ( 0.000 -0.424 -0.963) 1.053 31.624 ( 0.000 0.083 21.273) 21.273 32.071 ( 0.000 -0.093 -20.703) 20.703 32.821 ( 0.000 0.208 1.165) 1.184 32.877 ( 0.000 -0.291 -4.206) 4.216 50.427 ( 0.000 0.515 1.397) 1.489 50.454 ( 0.000 0.404 -1.133) 1.203 77.361 ( 0.000 -0.078 0.050) 0.092 77.363 ( 0.000 -0.110 -0.158) 0.192 84.747 ( 0.000 2.418 17.860) 18.023 85.154 ( 0.000 3.603 -20.879) 21.187 107.464 ( 0.000 1.083 1.477) 1.832 107.504 ( 0.000 1.223 -2.284) 2.591 109.682 ( 0.000 -0.497 2.557) 2.605 109.736 ( 0.000 -0.250 -2.506) 2.518 ======================= Grid point 391 (128/140) ======================= q-point: ( 0.08 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 3.439 4.352 5.089) 7.528 1.390 ( 1.259 -1.237 -7.362) 7.571 1.898 ( 14.248 6.055 5.536) 16.441 2.018 ( 12.466 3.493 -5.348) 14.008 2.707 ( -0.483 -1.565 14.429) 14.521 3.025 ( -2.837 -0.036 -14.786) 15.056 3.740 ( -0.964 -1.685 2.902) 3.491 3.804 ( 5.486 -3.267 -3.271) 7.174 4.105 ( 8.687 3.787 3.022) 9.947 4.166 ( 6.382 2.051 -2.656) 7.210 5.136 ( -6.464 1.060 6.868) 9.491 5.241 ( -7.577 2.323 -1.930) 8.157 5.748 ( -5.622 0.634 1.102) 5.764 5.834 ( -9.073 -1.425 -6.157) 11.057 6.443 ( 12.009 -0.182 0.820) 12.038 6.463 ( 9.969 -0.387 -0.970) 10.023 7.115 ( -2.460 0.923 9.725) 10.074 7.316 ( -4.097 0.539 -9.107) 10.000 8.246 ( -8.555 -3.548 14.570) 17.265 8.518 ( -11.970 -1.915 -10.892) 16.297 9.099 ( 21.078 -1.372 1.851) 21.204 9.168 ( 21.560 -2.537 -5.103) 22.301 11.540 ( -7.144 0.637 2.829) 7.710 11.588 ( -7.624 -0.191 -1.613) 7.795 14.887 ( 11.099 -0.625 13.707) 17.649 15.184 ( 9.750 -0.873 -14.183) 17.233 16.443 ( -6.086 -3.679 14.782) 16.404 16.748 ( -7.251 -0.948 -14.049) 15.838 18.926 ( 8.597 -0.065 2.617) 8.987 18.992 ( 9.832 -0.585 -3.608) 10.490 23.330 ( -7.529 6.163 10.185) 14.086 23.540 ( -10.473 4.427 -9.582) 14.869 25.933 ( 18.531 -0.007 0.606) 18.541 25.943 ( 19.803 -0.072 -0.298) 19.805 31.652 ( 2.741 0.094 19.416) 19.608 32.044 ( -2.541 0.027 -17.266) 17.452 32.828 ( 0.585 -0.115 1.808) 1.904 32.910 ( 3.362 0.107 -6.138) 6.999 50.311 ( -11.591 0.493 1.330) 11.677 50.336 ( -11.751 0.461 -1.026) 11.804 77.617 ( 25.210 -0.442 1.672) 25.269 77.663 ( 29.235 -1.662 -2.734) 29.410 84.660 ( -8.637 2.313 16.233) 18.533 85.028 ( -12.394 3.476 -18.795) 22.780 107.457 ( -0.681 1.013 1.395) 1.853 107.495 ( -0.971 1.165 -2.085) 2.578 109.679 ( -0.341 -0.437 2.536) 2.596 109.732 ( -0.384 -0.222 -2.484) 2.523 ======================= Grid point 392 (129/140) ======================= q-point: ( 0.15 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 8.573 2.553 4.511) 10.018 1.470 ( 6.912 0.302 -4.363) 8.180 2.222 ( 16.755 5.378 3.954) 18.035 2.317 ( 16.349 4.059 -4.543) 17.447 2.709 ( 1.232 -3.016 11.735) 12.179 2.965 ( -2.776 -1.731 -12.054) 12.490 3.664 ( -5.826 1.081 8.656) 10.490 3.852 ( -0.305 0.625 -9.065) 9.092 4.356 ( 14.452 0.966 1.349) 14.547 4.386 ( 13.573 0.264 -1.337) 13.642 5.006 ( -4.985 -1.745 4.848) 7.169 5.095 ( -5.511 -1.098 -2.869) 6.309 5.624 ( -6.881 1.340 -0.257) 7.015 5.657 ( -8.784 0.938 -3.118) 9.368 6.662 ( 9.908 0.397 1.505) 10.029 6.670 ( 8.678 0.561 0.586) 8.715 7.080 ( -0.151 -0.036 7.223) 7.225 7.224 ( -4.617 -0.047 -6.536) 8.003 8.086 ( -7.249 -1.304 9.233) 11.811 8.275 ( -12.961 -1.661 -8.366) 15.516 9.553 ( 22.912 -2.614 1.196) 23.092 9.597 ( 20.283 -3.919 -2.949) 20.868 11.361 ( -9.992 0.698 2.119) 10.238 11.397 ( -10.764 0.098 -1.132) 10.824 15.174 ( 17.017 -0.749 11.477) 20.539 15.426 ( 13.581 -1.353 -12.120) 18.253 16.295 ( -7.924 -3.320 13.381) 15.902 16.569 ( -10.035 -0.894 -12.350) 15.938 19.153 ( 13.753 -0.336 3.774) 14.265 19.250 ( 15.654 -1.010 -5.506) 16.624 23.147 ( -10.260 5.798 7.244) 13.833 23.294 ( -13.462 3.691 -6.582) 15.433 26.408 ( 28.904 0.012 2.765) 29.036 26.467 ( 31.441 0.289 -2.834) 31.570 31.726 ( 4.659 0.167 14.275) 15.017 31.982 ( -3.429 0.282 -9.819) 10.405 32.844 ( 1.064 -0.179 4.460) 4.589 33.002 ( 5.646 0.331 -10.437) 11.871 49.985 ( -20.977 0.428 1.187) 21.015 50.007 ( -21.126 0.528 -0.844) 21.149 78.295 ( 41.770 -1.121 5.207) 42.108 78.431 ( 46.249 -4.341 -7.752) 47.095 84.422 ( -15.042 1.988 11.950) 19.313 84.691 ( -21.032 2.978 -13.598) 25.222 107.440 ( -1.081 0.824 1.159) 1.787 107.469 ( -1.553 0.979 -1.594) 2.431 109.670 ( -0.533 -0.303 2.462) 2.537 109.721 ( -0.629 -0.159 -2.420) 2.505 ======================= Grid point 393 (130/140) ======================= q-point: ( 0.23 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 12.322 1.038 4.083) 13.022 1.649 ( 10.717 1.487 -2.126) 11.026 2.483 ( 8.334 6.308 4.753) 11.482 2.591 ( 9.521 6.312 -4.514) 12.283 2.797 ( 8.861 -4.562 5.971) 11.618 2.940 ( 0.990 -5.764 -7.448) 9.470 3.555 ( -4.120 1.053 12.133) 12.857 3.830 ( -1.246 0.795 -13.338) 13.419 4.563 ( 4.833 0.699 1.289) 5.050 4.591 ( 5.887 0.084 -1.135) 5.996 5.009 ( 5.734 -2.695 3.053) 7.033 5.084 ( 4.881 -3.382 -3.490) 6.887 5.475 ( -8.238 1.528 -0.520) 8.395 5.488 ( -8.233 1.323 -1.459) 8.466 6.753 ( 0.458 1.470 3.939) 4.229 6.811 ( 4.272 0.877 -0.801) 4.434 7.116 ( 2.521 -0.824 4.298) 5.050 7.165 ( -0.628 -0.151 -1.051) 1.234 7.977 ( -3.986 -0.294 0.351) 4.012 8.015 ( -12.387 -1.771 -3.058) 12.881 9.897 ( 9.876 -3.393 1.728) 10.584 9.940 ( 13.965 -2.906 -2.393) 14.463 11.195 ( -5.618 0.492 1.172) 5.760 11.214 ( -6.370 0.104 -0.524) 6.392 15.511 ( 16.020 -0.918 7.217) 17.594 15.651 ( 7.145 -2.540 -4.892) 9.024 16.186 ( -1.343 -2.144 7.972) 8.364 16.386 ( -7.789 -1.018 -9.815) 12.571 19.442 ( 15.051 -0.686 5.441) 16.019 19.578 ( 16.945 -0.952 -7.409) 18.519 22.947 ( -9.802 5.471 4.428) 12.067 23.037 ( -12.231 2.931 -4.109) 13.232 27.028 ( 32.982 0.185 4.681) 33.313 27.129 ( 34.622 0.302 -4.812) 34.956 31.828 ( 5.521 0.334 7.023) 8.939 31.919 ( -2.799 0.534 -2.141) 3.564 32.871 ( 1.695 -0.032 8.554) 8.721 33.120 ( 6.109 0.343 -14.276) 15.532 49.512 ( -26.216 0.339 1.077) 26.240 49.532 ( -26.233 0.484 -0.785) 26.249 79.189 ( 47.401 -1.509 8.251) 48.137 79.394 ( 49.650 -5.536 -11.119) 51.180 84.087 ( -18.627 1.483 6.285) 19.714 84.230 ( -25.182 2.050 -7.281) 26.293 107.417 ( -1.129 0.571 0.808) 1.502 107.437 ( -1.660 0.685 -1.002) 2.056 109.659 ( -0.553 -0.173 2.332) 2.403 109.708 ( -0.692 -0.096 -2.317) 2.420 ======================= Grid point 394 (131/140) ======================= q-point: ( 0.31 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 12.672 0.496 3.478) 13.150 1.871 ( 11.341 2.090 -0.285) 11.535 2.576 ( 2.820 3.008 4.018) 5.758 2.686 ( 1.844 5.451 -5.851) 8.207 2.978 ( 4.241 -1.489 2.835) 5.314 3.020 ( 8.701 -4.581 -1.009) 9.885 3.535 ( 2.139 -1.062 10.770) 11.032 3.819 ( 0.304 -1.443 -14.904) 14.977 4.593 ( 0.018 -0.185 2.320) 2.327 4.645 ( 0.917 -1.640 -2.437) 3.077 5.147 ( 5.564 -0.568 2.684) 6.203 5.213 ( 4.693 -1.943 -2.639) 5.724 5.319 ( -6.306 0.550 -0.027) 6.330 5.344 ( -5.061 -0.756 -2.114) 5.536 6.733 ( -1.845 1.609 5.422) 5.949 6.827 ( -1.834 1.102 -3.345) 3.971 7.130 ( -1.164 -0.448 4.020) 4.209 7.179 ( 0.244 0.274 0.255) 0.447 7.784 ( -8.914 -1.183 6.818) 11.285 7.967 ( 1.272 -0.316 -9.527) 9.617 9.967 ( -1.547 -2.576 5.552) 6.313 10.086 ( 1.409 -2.152 -5.691) 6.245 11.165 ( 2.036 -0.095 0.975) 2.259 11.180 ( 2.639 -0.217 -0.435) 2.684 15.670 ( -2.914 -3.722 7.058) 8.495 15.760 ( 7.481 -1.803 -1.528) 7.845 16.263 ( 6.858 -0.263 -0.897) 6.922 16.302 ( 0.711 -1.089 -4.172) 4.370 19.725 ( 13.217 -0.963 7.128) 15.048 19.894 ( 14.683 -0.595 -8.816) 17.137 22.769 ( -8.180 5.082 2.567) 9.966 22.825 ( -9.127 2.386 -2.738) 9.823 27.664 ( 30.572 0.311 5.833) 31.125 27.788 ( 31.357 0.202 -5.878) 31.904 31.875 ( -1.535 0.769 4.254) 4.587 31.938 ( 5.413 0.556 -0.759) 5.494 32.907 ( 1.839 0.110 13.035) 13.164 33.233 ( 5.179 0.329 -16.822) 17.604 48.990 ( -25.799 0.252 1.059) 25.822 49.011 ( -25.690 0.348 -0.891) 25.708 80.108 ( 44.986 -1.472 9.428) 45.987 80.330 ( 44.507 -5.043 -11.459) 46.234 83.697 ( -21.986 1.376 0.860) 22.046 83.725 ( -24.423 0.441 -1.748) 24.489 107.397 ( -0.925 0.322 0.417) 1.065 107.406 ( -1.402 0.363 -0.446) 1.516 109.649 ( -0.455 -0.082 2.177) 2.225 109.695 ( -0.599 -0.051 -2.194) 2.275 ======================= Grid point 395 (132/140) ======================= q-point: ( 0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 9.177 1.005 3.051) 9.723 2.075 ( 8.851 1.419 0.798) 9.000 2.627 ( 2.552 0.396 2.062) 3.304 2.716 ( 1.752 1.772 -6.535) 6.994 3.012 ( 0.430 2.842 9.839) 10.250 3.174 ( 5.830 0.185 -5.191) 7.808 3.608 ( 4.160 -3.706 7.711) 9.513 3.839 ( 1.544 -4.990 -13.427) 14.407 4.589 ( -0.317 -0.761 2.726) 2.848 4.653 ( 0.143 -2.863 -3.292) 4.365 5.143 ( -4.453 -0.169 1.022) 4.572 5.151 ( -5.285 -0.229 0.302) 5.299 5.307 ( 2.309 -0.794 1.675) 2.961 5.368 ( 3.595 -2.180 -4.258) 5.984 6.691 ( -2.226 2.071 5.989) 6.717 6.767 ( -3.765 1.800 -1.136) 4.325 7.083 ( -2.982 -0.364 1.082) 3.194 7.145 ( -3.093 0.268 -4.183) 5.209 7.678 ( -2.260 -0.199 16.064) 16.224 8.006 ( 2.082 -0.504 -14.451) 14.609 9.899 ( -3.916 -1.718 7.623) 8.741 10.059 ( -2.603 -1.906 -7.343) 8.021 11.230 ( 3.604 -0.488 2.090) 4.194 11.270 ( 5.043 -0.335 -1.683) 5.327 15.595 ( -3.627 -4.296 11.352) 12.669 15.820 ( -0.081 -2.297 -9.683) 9.952 16.360 ( 5.240 -0.137 2.191) 5.681 16.422 ( 6.520 -0.297 -3.537) 7.423 19.947 ( 9.005 -1.121 8.427) 12.384 20.139 ( 9.889 -0.252 -9.655) 13.824 22.630 ( -5.695 4.251 2.168) 7.430 22.683 ( -5.353 2.526 -2.786) 6.542 28.189 ( 21.787 0.390 6.329) 22.691 28.323 ( 22.005 0.042 -6.265) 22.880 31.857 ( -0.467 0.955 8.833) 8.897 32.035 ( 4.204 0.815 -7.374) 8.527 32.939 ( 1.312 0.203 16.894) 16.946 33.318 ( 3.358 0.316 -18.256) 18.565 48.538 ( -19.075 0.185 1.119) 19.109 48.562 ( -18.930 0.205 -1.080) 18.962 80.929 ( 37.646 -1.182 8.416) 38.593 81.116 ( 34.634 -3.871 -9.150) 36.031 83.198 ( -25.617 0.377 4.958) 26.095 83.316 ( -19.365 -0.193 -6.229) 20.343 107.381 ( -0.685 0.157 0.120) 0.712 107.383 ( -0.825 0.073 -0.057) 0.830 109.641 ( -0.293 -0.029 2.043) 2.064 109.685 ( -0.400 -0.025 -2.084) 2.122 ======================= Grid point 396 (133/140) ======================= q-point: ( 0.46 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 3.217 1.490 3.033) 4.666 2.199 ( 3.331 0.308 0.944) 3.476 2.670 ( 1.416 -0.672 1.024) 1.872 2.753 ( 1.425 -1.097 -6.854) 7.086 3.010 ( -0.352 7.131 13.180) 14.990 3.247 ( 1.740 2.919 -8.825) 9.457 3.670 ( 1.745 -5.161 6.840) 8.744 3.866 ( 0.871 -7.715 -11.563) 13.928 4.583 ( -0.257 -1.129 2.848) 3.075 4.654 ( -0.060 -3.925 -3.855) 5.502 5.064 ( -2.291 -1.498 1.720) 3.233 5.087 ( -1.659 -1.090 -0.483) 2.042 5.339 ( 0.766 0.177 2.874) 2.979 5.416 ( 1.222 -1.579 -4.547) 4.966 6.653 ( -1.310 2.736 6.021) 6.742 6.703 ( -2.012 2.055 1.556) 3.270 7.035 ( -1.491 0.044 -1.215) 1.924 7.095 ( -1.411 -0.057 -6.327) 6.483 7.661 ( -0.154 0.492 19.178) 19.185 8.035 ( 0.779 -0.826 -16.149) 16.188 9.843 ( -1.508 -1.248 8.545) 8.767 10.019 ( -1.095 -1.934 -7.979) 8.283 11.283 ( 1.458 -0.544 3.060) 3.433 11.344 ( 2.052 -0.343 -2.745) 3.444 15.545 ( -1.341 -4.415 12.650) 13.465 15.807 ( -0.590 -2.504 -11.980) 12.253 16.443 ( 2.387 -0.083 3.005) 3.839 16.511 ( 2.345 -0.085 -3.477) 4.195 20.069 ( 3.196 -1.187 9.119) 9.735 20.273 ( 3.488 -0.064 -10.032) 10.622 22.552 ( -2.034 3.685 2.386) 4.838 22.613 ( -1.777 2.725 -3.268) 4.611 28.488 ( 7.919 0.427 6.448) 10.221 28.623 ( 7.932 -0.087 -6.318) 10.142 31.853 ( -0.030 1.077 11.278) 11.329 32.094 ( 1.639 0.999 -11.293) 11.455 32.957 ( 0.448 0.239 19.211) 19.218 33.363 ( 1.145 0.304 -18.885) 18.922 48.274 ( -7.064 0.149 1.184) 7.164 48.300 ( -6.998 0.119 -1.225) 7.105 81.534 ( 20.506 -0.748 5.115) 21.147 81.643 ( 16.418 -2.953 -5.089) 17.441 82.751 ( -16.577 -0.309 10.632) 19.696 82.993 ( -11.061 -0.775 -12.144) 16.445 107.370 ( -0.316 -0.008 0.252) 0.404 107.374 ( -0.204 -0.010 -0.148) 0.252 109.638 ( -0.100 -0.005 1.966) 1.969 109.680 ( -0.140 -0.014 -2.020) 2.025 ======================= Grid point 403 (134/140) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 0.001 -2.691) 2.691 1.321 ( 0.000 -0.001 -4.808) 4.808 1.830 ( 0.000 -0.000 5.027) 5.027 1.916 ( 0.000 0.000 -3.074) 3.074 2.695 ( 0.000 0.000 16.236) 16.236 3.061 ( 0.000 0.000 -17.392) 17.392 3.661 ( 0.000 0.000 0.445) 0.445 3.682 ( 0.000 -0.000 -1.566) 1.566 4.110 ( 0.000 0.000 2.984) 2.984 4.146 ( 0.000 -0.000 -0.611) 0.611 5.249 ( 0.000 -0.000 9.466) 9.466 5.369 ( 0.000 0.000 -0.087) 0.087 5.834 ( 0.000 0.000 -2.573) 2.573 5.895 ( 0.000 -0.000 -6.960) 6.960 6.282 ( 0.000 0.000 2.825) 2.825 6.341 ( 0.000 0.000 -2.776) 2.776 7.157 ( 0.000 0.000 10.371) 10.371 7.369 ( 0.000 0.000 -9.361) 9.361 8.291 ( 0.000 0.000 18.845) 18.845 8.684 ( 0.000 0.000 -18.643) 18.643 8.853 ( 0.000 0.000 0.573) 0.573 8.865 ( 0.000 -0.000 -0.514) 0.514 11.620 ( 0.000 0.000 2.586) 2.586 11.662 ( 0.000 0.000 -1.263) 1.263 14.766 ( 0.000 -0.000 14.412) 14.412 15.075 ( 0.000 0.000 -14.579) 14.579 16.466 ( 0.000 0.000 16.706) 16.706 16.812 ( 0.000 0.000 -15.902) 15.902 18.838 ( 0.000 0.000 2.077) 2.077 18.888 ( 0.000 0.000 -2.655) 2.655 23.477 ( 0.000 0.000 10.889) 10.889 23.706 ( 0.000 -0.000 -10.520) 10.520 25.726 ( 0.000 0.000 1.399) 1.399 25.748 ( 0.000 0.000 -0.708) 0.708 31.625 ( 0.000 0.000 21.194) 21.194 32.070 ( 0.000 0.000 -20.607) 20.607 32.823 ( 0.000 0.000 0.850) 0.850 32.874 ( 0.000 -0.000 -4.058) 4.058 50.432 ( 0.000 0.000 1.377) 1.377 50.458 ( 0.000 -0.000 -1.043) 1.043 77.360 ( 0.000 0.000 0.031) 0.031 77.362 ( 0.000 -0.000 -0.142) 0.142 84.773 ( 0.000 0.000 18.308) 18.308 85.190 ( 0.000 0.000 -21.241) 21.241 107.476 ( 0.000 0.000 1.560) 1.560 107.517 ( 0.000 -0.000 -2.305) 2.305 109.677 ( 0.000 0.000 2.641) 2.641 109.733 ( 0.000 0.000 -2.644) 2.644 ======================= Grid point 405 (135/140) ======================= q-point: ( 0.08 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 1.261 0.000 -2.523) 2.821 1.350 ( 3.456 -0.000 -3.240) 4.737 1.970 ( 13.150 -0.000 4.620) 13.938 2.053 ( 12.701 0.000 -3.261) 13.113 2.685 ( -0.875 0.000 15.239) 15.264 3.022 ( -3.449 0.000 -15.657) 16.032 3.719 ( 1.368 0.000 1.776) 2.242 3.764 ( 7.800 -0.000 -2.663) 8.242 4.160 ( 6.656 0.000 1.764) 6.886 4.181 ( 4.812 -0.000 -0.354) 4.825 5.153 ( -8.480 -0.000 8.047) 11.690 5.271 ( -8.943 0.000 -1.750) 9.113 5.761 ( -5.783 0.000 -1.647) 6.013 5.805 ( -6.694 -0.000 -4.746) 8.206 6.442 ( 12.619 0.000 0.714) 12.639 6.458 ( 9.850 -0.000 -0.756) 9.879 7.124 ( -2.782 -0.000 9.644) 10.038 7.321 ( -4.400 0.000 -8.720) 9.767 8.207 ( -6.698 0.000 15.164) 16.578 8.497 ( -11.534 0.000 -11.885) 16.562 9.087 ( 19.608 0.000 1.239) 19.647 9.142 ( 20.495 -0.000 -4.490) 20.981 11.547 ( -7.089 0.000 2.365) 7.473 11.585 ( -7.460 0.000 -1.106) 7.541 14.880 ( 11.041 0.000 13.629) 17.540 15.174 ( 9.562 0.000 -14.016) 16.967 16.404 ( -5.962 0.000 16.205) 17.267 16.737 ( -7.159 0.000 -15.179) 16.783 18.925 ( 8.494 0.000 2.378) 8.820 18.985 ( 9.548 0.000 -3.315) 10.107 23.395 ( -7.698 0.000 9.319) 12.087 23.587 ( -10.847 -0.000 -8.685) 13.896 25.933 ( 17.962 -0.000 0.579) 17.971 25.942 ( 20.620 -0.000 -0.277) 20.622 31.653 ( 2.759 -0.000 19.377) 19.572 32.044 ( -2.428 0.000 -17.253) 17.423 32.827 ( 0.438 0.000 1.826) 1.878 32.911 ( 3.589 -0.000 -6.299) 7.250 50.316 ( -11.614 0.000 1.339) 11.691 50.340 ( -11.700 -0.000 -0.987) 11.742 77.613 ( 24.915 0.000 1.178) 24.943 77.646 ( 27.796 -0.000 -1.913) 27.861 84.685 ( -8.756 0.000 16.652) 18.814 85.063 ( -12.526 0.000 -19.214) 22.936 107.468 ( -0.752 0.000 1.477) 1.657 107.506 ( -1.030 -0.000 -2.124) 2.361 109.674 ( -0.285 0.000 2.605) 2.620 109.729 ( -0.357 0.000 -2.610) 2.634 ======================= Grid point 407 (136/140) ======================= q-point: ( 0.15 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 6.870 0.000 1.060) 6.951 1.464 ( 8.160 -0.000 -3.678) 8.951 2.289 ( 17.707 -0.000 4.073) 18.169 2.361 ( 17.396 0.000 -2.841) 17.627 2.669 ( -0.482 0.000 12.507) 12.517 2.942 ( -4.494 0.000 -12.691) 13.463 3.675 ( -5.141 0.000 8.032) 9.536 3.855 ( 0.883 -0.000 -8.853) 8.896 4.375 ( 13.264 -0.000 0.589) 13.277 4.385 ( 14.050 0.000 -0.185) 14.052 4.989 ( -6.225 0.000 5.017) 7.995 5.086 ( -7.765 0.000 -3.334) 8.451 5.638 ( -6.763 0.000 -0.545) 6.784 5.664 ( -7.637 0.000 -2.675) 8.092 6.666 ( 10.234 -0.000 1.557) 10.351 6.677 ( 9.449 0.000 0.418) 9.458 7.079 ( -0.866 -0.000 7.359) 7.410 7.222 ( -4.892 0.000 -6.313) 7.986 8.071 ( -6.485 0.000 8.961) 11.061 8.258 ( -12.906 0.000 -8.397) 15.397 9.527 ( 22.814 0.000 0.571) 22.821 9.556 ( 19.799 -0.000 -2.258) 19.927 11.369 ( -10.004 0.000 1.780) 10.162 11.397 ( -10.633 0.000 -0.765) 10.661 15.166 ( 16.946 -0.000 11.297) 20.366 15.412 ( 13.216 0.000 -11.659) 17.624 16.260 ( -7.586 0.000 14.480) 16.346 16.559 ( -10.060 0.000 -13.472) 16.814 19.149 ( 13.566 0.000 3.519) 14.015 19.240 ( 15.551 -0.000 -5.063) 16.354 23.209 ( -10.411 0.000 6.127) 12.080 23.333 ( -13.922 -0.000 -5.466) 14.957 26.408 ( 29.005 -0.000 2.916) 29.152 26.471 ( 31.493 0.000 -2.968) 31.633 31.728 ( 4.723 -0.000 14.313) 15.072 31.985 ( -3.286 0.000 -9.916) 10.447 32.842 ( 1.117 0.000 4.606) 4.739 33.005 ( 5.691 0.000 -10.704) 12.123 49.990 ( -21.018 0.000 1.243) 21.054 50.012 ( -21.113 -0.000 -0.885) 21.131 78.285 ( 41.478 0.000 3.854) 41.657 78.385 ( 45.059 -0.000 -5.649) 45.412 84.444 ( -15.280 0.000 12.270) 19.597 84.721 ( -21.391 0.000 -14.053) 25.594 107.448 ( -1.204 0.000 1.234) 1.724 107.479 ( -1.679 -0.000 -1.657) 2.359 109.667 ( -0.460 0.000 2.501) 2.543 109.720 ( -0.594 0.000 -2.512) 2.582 ======================= Grid point 409 (137/140) ======================= q-point: ( 0.23 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 11.526 0.000 3.202) 11.963 1.661 ( 11.367 0.000 -3.037) 11.766 2.578 ( 6.943 0.000 7.734) 10.393 2.695 ( 15.180 0.000 -2.852) 15.446 2.709 ( 8.233 -0.000 5.401) 9.846 2.856 ( -3.386 0.000 -9.290) 9.888 3.567 ( -4.670 0.000 11.413) 12.331 3.837 ( -1.864 -0.000 -13.346) 13.476 4.573 ( 4.590 0.000 0.806) 4.660 4.592 ( 4.929 -0.000 -0.732) 4.984 4.981 ( 6.203 0.000 2.531) 6.699 5.047 ( 4.799 0.000 -3.230) 5.785 5.491 ( -8.171 -0.000 -0.439) 8.183 5.502 ( -8.720 0.000 -1.307) 8.817 6.770 ( 0.554 -0.000 3.390) 3.435 6.820 ( 4.335 0.000 -0.579) 4.374 7.107 ( 2.588 -0.000 4.760) 5.418 7.163 ( -0.431 0.000 -1.187) 1.263 7.974 ( -2.862 0.000 -0.413) 2.892 7.996 ( -13.148 0.000 -2.355) 13.357 9.861 ( 10.002 0.000 1.995) 10.199 9.910 ( 14.446 -0.000 -2.624) 14.682 11.200 ( -5.819 0.000 0.946) 5.895 11.215 ( -6.507 -0.000 -0.256) 6.512 15.502 ( 15.922 -0.000 6.784) 17.307 15.624 ( 6.097 0.000 -3.447) 7.003 16.164 ( -0.305 0.000 7.930) 7.936 16.374 ( -7.821 0.000 -10.602) 13.174 19.435 ( 14.874 0.000 5.389) 15.820 19.568 ( 17.084 -0.000 -7.181) 18.532 23.007 ( -9.791 0.000 2.910) 10.214 23.066 ( -12.793 -0.000 -2.626) 13.060 27.030 ( 33.061 -0.000 4.761) 33.402 27.132 ( 34.591 0.000 -4.863) 34.932 31.832 ( 5.637 0.000 7.110) 9.073 31.924 ( -2.675 0.000 -2.267) 3.506 32.871 ( 1.776 0.000 8.660) 8.841 33.124 ( 6.111 0.000 -14.487) 15.723 49.516 ( -26.263 0.000 1.148) 26.288 49.537 ( -26.285 -0.000 -0.851) 26.298 79.175 ( 47.307 0.000 6.472) 47.748 79.335 ( 49.516 -0.000 -8.601) 50.257 84.103 ( -18.921 0.000 6.426) 19.983 84.251 ( -25.749 -0.000 -7.599) 26.847 107.423 ( -1.269 0.000 0.862) 1.534 107.444 ( -1.828 -0.000 -1.057) 2.111 109.657 ( -0.494 0.000 2.348) 2.400 109.707 ( -0.663 -0.000 -2.372) 2.463 ======================= Grid point 411 (138/140) ======================= q-point: ( 0.31 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 12.485 0.000 3.827) 13.059 1.892 ( 11.586 0.000 -1.649) 11.703 2.614 ( 0.451 0.000 6.257) 6.274 2.765 ( -2.501 0.000 -8.006) 8.388 2.918 ( 9.164 0.000 5.433) 10.653 2.993 ( 11.675 0.000 -2.602) 11.961 3.523 ( 0.362 0.000 10.453) 10.460 3.801 ( -1.436 -0.000 -14.751) 14.821 4.595 ( -0.402 0.000 1.163) 1.231 4.624 ( 0.067 -0.000 -1.389) 1.391 5.142 ( 7.177 0.000 1.887) 7.421 5.191 ( 6.399 0.000 -2.003) 6.705 5.328 ( -7.202 -0.000 -1.031) 7.275 5.335 ( -7.413 0.000 -1.045) 7.486 6.750 ( -1.759 -0.000 5.078) 5.374 6.837 ( -1.547 0.000 -3.044) 3.415 7.125 ( -1.116 0.000 4.044) 4.195 7.181 ( 0.508 -0.000 -0.310) 0.595 7.772 ( -8.557 0.000 7.519) 11.391 7.963 ( 1.325 0.000 -9.617) 9.708 9.940 ( -1.015 0.000 5.718) 5.807 10.063 ( 1.675 -0.000 -5.884) 6.118 11.164 ( 1.656 0.000 0.910) 1.890 11.178 ( 2.559 0.000 -0.367) 2.585 15.630 ( -3.562 -0.000 8.279) 9.013 15.742 ( 7.284 0.000 -2.219) 7.615 16.262 ( 8.271 -0.000 -1.487) 8.404 16.289 ( 0.048 0.000 -3.965) 3.965 19.715 ( 13.108 0.000 7.352) 15.029 19.888 ( 14.884 -0.000 -8.937) 17.361 22.833 ( -7.733 0.000 0.196) 7.735 22.839 ( -10.020 -0.000 -0.433) 10.030 27.667 ( 30.628 -0.000 5.801) 31.172 27.791 ( 31.277 0.000 -5.812) 31.813 31.884 ( -1.431 0.000 4.134) 4.375 31.944 ( 5.560 0.000 -0.648) 5.598 32.909 ( 1.903 0.000 13.092) 13.230 33.237 ( 5.176 0.000 -16.954) 17.726 48.993 ( -25.842 0.000 1.109) 25.865 49.015 ( -25.770 -0.000 -0.932) 25.787 80.094 ( 45.068 0.000 7.776) 45.734 80.276 ( 45.046 -0.000 -9.328) 46.001 83.713 ( -20.345 0.000 0.200) 20.346 83.728 ( -26.975 -0.000 -1.222) 27.003 107.400 ( -1.045 0.000 0.438) 1.133 107.410 ( -1.565 0.000 -0.468) 1.634 109.648 ( -0.417 0.000 2.181) 2.221 109.695 ( -0.581 -0.000 -2.219) 2.293 ======================= Grid point 413 (139/140) ======================= q-point: ( 0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 9.409 0.000 3.659) 10.096 2.094 ( 8.441 0.000 -0.111) 8.442 2.632 ( 1.446 0.000 2.874) 3.218 2.735 ( -0.412 0.000 -7.194) 7.206 3.048 ( 4.403 0.000 9.092) 10.102 3.180 ( 7.247 0.000 -3.857) 8.210 3.564 ( 3.016 -0.000 6.650) 7.302 3.781 ( -0.725 0.000 -13.107) 13.127 4.586 ( -0.479 0.000 1.235) 1.325 4.618 ( -0.584 -0.000 -1.807) 1.899 5.142 ( -6.476 -0.000 1.202) 6.587 5.151 ( -4.857 -0.000 0.126) 4.858 5.302 ( 2.907 0.000 0.628) 2.974 5.342 ( 4.100 0.000 -3.462) 5.366 6.713 ( -1.843 -0.000 6.098) 6.371 6.785 ( -3.413 0.000 -0.763) 3.497 7.080 ( -2.811 0.000 0.930) 2.961 7.147 ( -3.317 -0.000 -4.948) 5.957 7.677 ( -1.708 0.000 16.245) 16.335 8.000 ( 1.897 0.000 -14.034) 14.162 9.882 ( -3.562 0.000 7.471) 8.276 10.038 ( -2.592 0.000 -7.247) 7.697 11.225 ( 3.521 0.000 2.123) 4.112 11.266 ( 5.016 0.000 -1.787) 5.325 15.550 ( -3.736 0.000 12.379) 12.931 15.795 ( -0.283 0.000 -10.570) 10.574 16.359 ( 5.288 -0.000 2.111) 5.694 16.419 ( 6.738 0.000 -3.472) 7.580 19.935 ( 8.953 0.000 8.864) 12.599 20.137 ( 10.033 -0.000 -10.050) 14.201 22.677 ( -6.391 0.000 1.067) 6.479 22.707 ( -4.949 -0.000 -1.773) 5.257 28.193 ( 21.819 -0.000 6.179) 22.677 28.323 ( 21.913 0.000 -6.073) 22.739 31.867 ( -0.378 0.000 8.762) 8.770 32.043 ( 4.334 0.000 -7.296) 8.487 32.942 ( 1.345 0.000 16.924) 16.977 33.322 ( 3.352 0.000 -18.325) 18.629 48.540 ( -19.103 0.000 1.135) 19.137 48.564 ( -18.995 0.000 -1.083) 19.026 80.918 ( 37.834 0.000 7.110) 38.497 81.075 ( 35.265 -0.000 -7.611) 36.077 83.202 ( -26.105 0.000 4.652) 26.516 83.314 ( -19.678 0.000 -5.983) 20.568 107.383 ( -0.667 0.000 0.069) 0.671 107.384 ( -1.035 0.000 -0.002) 1.035 109.641 ( -0.273 0.000 2.042) 2.060 109.685 ( -0.390 -0.000 -2.088) 2.124 ======================= Grid point 415 (140/140) ======================= q-point: ( 0.46 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.376 0.000 3.249) 4.685 2.208 ( 2.909 0.000 0.949) 3.059 2.663 ( 1.243 0.000 0.525) 1.350 2.740 ( 0.480 0.000 -6.846) 6.863 3.102 ( 1.243 0.000 11.533) 11.600 3.277 ( 2.547 -0.000 -4.898) 5.521 3.614 ( 1.569 -0.000 3.697) 4.016 3.770 ( -0.406 0.000 -11.063) 11.071 4.578 ( -0.270 0.000 0.861) 0.903 4.605 ( -0.560 -0.000 -1.771) 1.857 5.049 ( -2.520 -0.000 1.920) 3.168 5.076 ( -2.069 0.000 -0.712) 2.188 5.343 ( 1.050 0.000 1.634) 1.942 5.397 ( 1.410 0.000 -3.589) 3.855 6.684 ( -0.925 0.000 6.407) 6.473 6.723 ( -2.138 0.000 2.416) 3.226 7.036 ( -1.241 0.000 -1.854) 2.231 7.093 ( -1.536 0.000 -6.839) 7.010 7.667 ( -0.000 0.000 18.606) 18.606 8.026 ( 0.663 0.000 -15.385) 15.399 9.830 ( -1.375 0.000 8.123) 8.238 9.998 ( -1.117 0.000 -7.651) 7.732 11.277 ( 1.453 0.000 3.098) 3.421 11.340 ( 2.056 0.000 -2.892) 3.548 15.499 ( -1.364 0.000 13.612) 13.680 15.780 ( -0.636 0.000 -12.845) 12.861 16.442 ( 2.402 0.000 3.016) 3.856 16.510 ( 2.389 0.000 -3.473) 4.216 20.056 ( 3.181 0.000 9.663) 10.173 20.272 ( 3.538 0.000 -10.563) 11.140 22.591 ( -2.204 0.000 1.833) 2.866 22.641 ( -1.708 -0.000 -2.814) 3.292 28.492 ( 7.929 -0.000 6.215) 10.075 28.622 ( 7.890 0.000 -6.038) 9.935 31.864 ( 0.007 0.000 11.241) 11.241 32.105 ( 1.697 0.000 -11.253) 11.380 32.959 ( 0.456 0.000 19.237) 19.242 33.366 ( 1.141 0.000 -18.921) 18.955 48.276 ( -7.074 0.000 1.176) 7.171 48.301 ( -7.022 0.000 -1.202) 7.124 81.528 ( 20.845 0.000 3.925) 21.211 81.610 ( 16.583 -0.000 -3.816) 17.016 82.748 ( -16.812 0.000 10.405) 19.771 82.985 ( -11.296 0.000 -11.910) 16.415 107.370 ( -0.360 0.000 0.256) 0.442 107.374 ( -0.227 0.000 -0.146) 0.270 109.637 ( -0.094 0.000 1.964) 1.966 109.680 ( -0.137 -0.000 -2.013) 2.018 =================== 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 3/34944 10.0 81.166 104.381 71.480 0.000 0.000 0.000 3/34944 20.0 37.805 24.962 17.268 0.000 0.000 0.000 3/34944 30.0 21.624 10.448 7.743 0.000 0.000 0.000 3/34944 40.0 14.099 5.822 4.745 0.000 0.000 0.000 3/34944 50.0 10.022 3.802 3.371 0.000 0.000 0.000 3/34944 60.0 7.603 2.743 2.603 0.000 0.000 0.000 3/34944 70.0 6.061 2.116 2.120 0.000 0.000 0.000 3/34944 80.0 5.018 1.711 1.792 0.000 0.000 0.000 3/34944 90.0 4.277 1.432 1.555 0.000 0.000 0.000 3/34944 100.0 3.728 1.229 1.377 0.000 0.000 0.000 3/34944 110.0 3.309 1.077 1.238 0.000 0.000 0.000 3/34944 120.0 2.978 0.958 1.127 0.000 0.000 0.000 3/34944 130.0 2.712 0.864 1.035 0.000 0.000 0.000 3/34944 140.0 2.492 0.787 0.959 0.000 0.000 0.000 3/34944 150.0 2.309 0.723 0.894 0.000 0.000 0.000 3/34944 160.0 2.153 0.669 0.838 0.000 0.000 0.000 3/34944 170.0 2.020 0.623 0.789 0.000 0.000 0.000 3/34944 180.0 1.903 0.583 0.746 0.000 0.000 0.000 3/34944 190.0 1.802 0.548 0.708 0.000 0.000 0.000 3/34944 200.0 1.712 0.517 0.674 0.000 0.000 0.000 3/34944 210.0 1.632 0.490 0.644 0.000 0.000 0.000 3/34944 220.0 1.560 0.465 0.616 0.000 0.000 0.000 3/34944 230.0 1.496 0.443 0.591 0.000 0.000 0.000 3/34944 240.0 1.437 0.423 0.568 0.000 0.000 0.000 3/34944 250.0 1.384 0.405 0.547 0.000 0.000 0.000 3/34944 260.0 1.335 0.388 0.528 0.000 0.000 0.000 3/34944 270.0 1.290 0.373 0.510 0.000 0.000 0.000 3/34944 280.0 1.248 0.359 0.494 0.000 0.000 0.000 3/34944 290.0 1.209 0.346 0.479 0.000 0.000 0.000 3/34944 300.0 1.173 0.334 0.464 0.000 0.000 0.000 3/34944 310.0 1.140 0.323 0.451 0.000 0.000 0.000 3/34944 320.0 1.109 0.312 0.438 0.000 0.000 0.000 3/34944 330.0 1.079 0.302 0.427 0.000 0.000 0.000 3/34944 340.0 1.051 0.293 0.416 0.000 0.000 0.000 3/34944 350.0 1.025 0.284 0.405 0.000 0.000 0.000 3/34944 360.0 1.001 0.276 0.395 0.000 0.000 0.000 3/34944 370.0 0.977 0.268 0.386 0.000 0.000 0.000 3/34944 380.0 0.955 0.261 0.377 0.000 0.000 0.000 3/34944 390.0 0.934 0.254 0.368 0.000 0.000 0.000 3/34944 400.0 0.914 0.248 0.360 0.000 0.000 0.000 3/34944 410.0 0.895 0.241 0.352 0.000 0.000 0.000 3/34944 420.0 0.876 0.236 0.345 0.000 0.000 0.000 3/34944 430.0 0.859 0.230 0.338 0.000 0.000 0.000 3/34944 440.0 0.842 0.225 0.331 0.000 0.000 0.000 3/34944 450.0 0.826 0.220 0.325 0.000 0.000 0.000 3/34944 460.0 0.811 0.215 0.318 0.000 0.000 0.000 3/34944 470.0 0.796 0.210 0.312 0.000 0.000 0.000 3/34944 480.0 0.782 0.206 0.307 0.000 0.000 0.000 3/34944 490.0 0.768 0.201 0.301 0.000 0.000 0.000 3/34944 500.0 0.755 0.197 0.296 0.000 0.000 0.000 3/34944 510.0 0.742 0.193 0.291 0.000 0.000 0.000 3/34944 520.0 0.730 0.190 0.286 0.000 0.000 0.000 3/34944 530.0 0.719 0.186 0.281 0.000 0.000 0.000 3/34944 540.0 0.707 0.182 0.276 0.000 0.000 0.000 3/34944 550.0 0.696 0.179 0.272 0.000 0.000 0.000 3/34944 560.0 0.686 0.176 0.267 0.000 0.000 0.000 3/34944 570.0 0.675 0.173 0.263 0.000 0.000 0.000 3/34944 580.0 0.665 0.170 0.259 0.000 0.000 0.000 3/34944 590.0 0.656 0.167 0.255 0.000 0.000 0.000 3/34944 600.0 0.646 0.164 0.251 0.000 0.000 0.000 3/34944 610.0 0.637 0.161 0.248 0.000 0.000 0.000 3/34944 620.0 0.628 0.159 0.244 0.000 0.000 0.000 3/34944 630.0 0.620 0.156 0.240 0.000 0.000 0.000 3/34944 640.0 0.611 0.154 0.237 0.000 0.000 0.000 3/34944 650.0 0.603 0.151 0.234 0.000 0.000 0.000 3/34944 660.0 0.596 0.149 0.230 0.000 0.000 0.000 3/34944 670.0 0.588 0.147 0.227 0.000 0.000 0.000 3/34944 680.0 0.580 0.145 0.224 0.000 0.000 0.000 3/34944 690.0 0.573 0.142 0.221 0.000 0.000 0.000 3/34944 700.0 0.566 0.140 0.218 0.000 0.000 0.000 3/34944 710.0 0.559 0.138 0.216 0.000 0.000 0.000 3/34944 720.0 0.553 0.137 0.213 0.000 0.000 0.000 3/34944 730.0 0.546 0.135 0.210 0.000 0.000 0.000 3/34944 740.0 0.540 0.133 0.208 0.000 0.000 0.000 3/34944 750.0 0.533 0.131 0.205 0.000 0.000 0.000 3/34944 760.0 0.527 0.129 0.203 0.000 0.000 0.000 3/34944 770.0 0.521 0.128 0.200 0.000 0.000 0.000 3/34944 780.0 0.516 0.126 0.198 0.000 0.000 0.000 3/34944 790.0 0.510 0.124 0.195 0.000 0.000 0.000 3/34944 800.0 0.504 0.123 0.193 0.000 0.000 0.000 3/34944 810.0 0.499 0.121 0.191 0.000 0.000 0.000 3/34944 820.0 0.494 0.120 0.189 0.000 0.000 0.000 3/34944 830.0 0.488 0.118 0.187 0.000 0.000 0.000 3/34944 840.0 0.483 0.117 0.185 0.000 0.000 0.000 3/34944 850.0 0.478 0.116 0.183 0.000 0.000 0.000 3/34944 860.0 0.474 0.114 0.181 0.000 0.000 0.000 3/34944 870.0 0.469 0.113 0.179 0.000 0.000 0.000 3/34944 880.0 0.464 0.112 0.177 0.000 0.000 0.000 3/34944 890.0 0.460 0.110 0.175 0.000 0.000 0.000 3/34944 900.0 0.455 0.109 0.173 0.000 0.000 0.000 3/34944 910.0 0.451 0.108 0.171 0.000 0.000 0.000 3/34944 920.0 0.446 0.107 0.170 0.000 0.000 0.000 3/34944 930.0 0.442 0.106 0.168 0.000 0.000 0.000 3/34944 940.0 0.438 0.105 0.166 0.000 0.000 0.000 3/34944 950.0 0.434 0.104 0.164 0.000 0.000 0.000 3/34944 960.0 0.430 0.102 0.163 0.000 0.000 0.000 3/34944 970.0 0.426 0.101 0.161 0.000 0.000 0.000 3/34944 980.0 0.422 0.100 0.160 0.000 0.000 0.000 3/34944 990.0 0.418 0.099 0.158 0.000 0.000 0.000 3/34944 1000.0 0.415 0.098 0.157 0.000 0.000 0.000 3/34944 Thermal conductivity related properties were written into "kappa-m1387.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:45:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|