----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:24:19]------------------------- 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 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.504095640003654 -5.438292630000000 0.000000000000000 b 3.504095640003654 5.438292630000000 0.000000000000000 c -3.365423118911363 0.000000000000000 3.795705749757436 Atomic positions (fractional): *1 O 0.94942905905900 0.37488908357178 0.16087461727839 15.999 2 O 0.62511091642822 0.05057094094099 0.33912538272161 15.999 3 O 0.05057094094100 0.62511091642822 0.83912538272161 15.999 4 O 0.37488908357178 0.94942905905900 0.66087461727839 15.999 *5 O 0.27965918821915 0.21819026591873 0.21198314052737 15.999 6 O 0.78180973408127 0.72034081178085 0.28801685947263 15.999 7 O 0.72034081178085 0.78180973408127 0.78801685947263 15.999 8 O 0.21819026591873 0.27965918821915 0.71198314052737 15.999 *9 Nb 0.89368872515185 0.10631127484815 0.25000000000000 92.906 10 Nb 0.10631127484815 0.89368872515185 0.75000000000000 92.906 *11 Ho 0.37101185434465 0.62898814565535 0.25000000000000 164.930 12 Ho 0.62898814565535 0.37101185434465 0.75000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.008191280007308 0.000000000000000 0.000000000000000 b 0.000000000000000 10.876585260000001 0.000000000000000 c -3.365423118911363 0.000000000000000 3.795705749757436 Atomic positions (fractional): *1 O 0.66215907131539 0.71273001225639 0.16087461727839 15.999 > 1 2 O 0.33784092868461 0.71273001225639 0.33912538272161 15.999 > 2 3 O 0.83784092868461 0.78726998774361 0.83912538272161 15.999 > 3 4 O 0.16215907131539 0.78726998774361 0.66087461727839 15.999 > 4 *5 O 0.24892472706894 0.96926553884979 0.21198314052737 15.999 > 5 6 O 0.75107527293106 0.96926553884979 0.28801685947263 15.999 > 6 7 O 0.25107527293106 0.53073446115021 0.78801685947263 15.999 > 7 8 O 0.74892472706894 0.53073446115021 0.71198314052737 15.999 > 8 9 O 0.16215907131539 0.21273001225639 0.16087461727839 15.999 > 1 10 O 0.83784092868461 0.21273001225639 0.33912538272161 15.999 > 2 11 O 0.33784092868461 0.28726998774361 0.83912538272161 15.999 > 3 12 O 0.66215907131539 0.28726998774361 0.66087461727839 15.999 > 4 13 O 0.74892472706894 0.46926553884979 0.21198314052737 15.999 > 5 14 O 0.25107527293106 0.46926553884979 0.28801685947263 15.999 > 6 15 O 0.75107527293106 0.03073446115021 0.78801685947263 15.999 > 7 16 O 0.24892472706894 0.03073446115021 0.71198314052737 15.999 > 8 *17 Nb 0.50000000000000 0.60631127484815 0.25000000000000 92.906 > 9 18 Nb 0.00000000000000 0.89368872515185 0.75000000000000 92.906 > 10 19 Nb 0.00000000000000 0.10631127484815 0.25000000000000 92.906 > 9 20 Nb 0.50000000000000 0.39368872515185 0.75000000000000 92.906 > 10 *21 Ho 0.00000000000000 0.62898814565535 0.25000000000000 164.930 > 11 22 Ho 0.50000000000000 0.87101185434465 0.75000000000000 164.930 > 12 23 Ho 0.50000000000000 0.12898814565535 0.25000000000000 164.930 > 11 24 Ho 0.00000000000000 0.37101185434465 0.75000000000000 164.930 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.016382560014616 0.000000000000000 0.000000000000000 b 0.000000000000000 10.876585260000001 0.000000000000000 c -10.096269356734089 0.000000000000000 11.387117249272308 Atomic positions (fractional): *1 O 0.33107953565770 0.71273001225639 0.05362487242613 15.999 > 1 2 O 0.83107953565770 0.71273001225639 0.05362487242613 15.999 > 1 3 O 0.33107953565770 0.71273001225639 0.38695820575946 15.999 > 1 4 O 0.83107953565770 0.71273001225639 0.38695820575946 15.999 > 1 5 O 0.33107953565770 0.71273001225639 0.72029153909280 15.999 > 1 6 O 0.83107953565770 0.71273001225639 0.72029153909280 15.999 > 1 7 O 0.16892046434230 0.71273001225639 0.11304179424054 15.999 > 2 8 O 0.66892046434230 0.71273001225639 0.11304179424054 15.999 > 2 9 O 0.16892046434230 0.71273001225639 0.44637512757387 15.999 > 2 10 O 0.66892046434230 0.71273001225639 0.44637512757387 15.999 > 2 11 O 0.16892046434230 0.71273001225639 0.77970846090720 15.999 > 2 12 O 0.66892046434230 0.71273001225639 0.77970846090720 15.999 > 2 13 O 0.41892046434230 0.78726998774361 0.27970846090720 15.999 > 3 14 O 0.91892046434230 0.78726998774361 0.27970846090720 15.999 > 3 15 O 0.41892046434230 0.78726998774361 0.61304179424054 15.999 > 3 16 O 0.91892046434230 0.78726998774361 0.61304179424054 15.999 > 3 17 O 0.41892046434230 0.78726998774361 0.94637512757387 15.999 > 3 18 O 0.91892046434230 0.78726998774361 0.94637512757387 15.999 > 3 19 O 0.08107953565770 0.78726998774361 0.22029153909280 15.999 > 4 20 O 0.58107953565770 0.78726998774361 0.22029153909280 15.999 > 4 21 O 0.08107953565770 0.78726998774361 0.55362487242613 15.999 > 4 22 O 0.58107953565770 0.78726998774361 0.55362487242613 15.999 > 4 23 O 0.08107953565770 0.78726998774361 0.88695820575946 15.999 > 4 24 O 0.58107953565770 0.78726998774361 0.88695820575946 15.999 > 4 *25 O 0.12446236353447 0.96926553884979 0.07066104684246 15.999 > 5 26 O 0.62446236353447 0.96926553884979 0.07066104684246 15.999 > 5 27 O 0.12446236353447 0.96926553884979 0.40399438017579 15.999 > 5 28 O 0.62446236353447 0.96926553884979 0.40399438017579 15.999 > 5 29 O 0.12446236353447 0.96926553884979 0.73732771350912 15.999 > 5 30 O 0.62446236353447 0.96926553884979 0.73732771350912 15.999 > 5 31 O 0.37553763646553 0.96926553884979 0.09600561982421 15.999 > 6 32 O 0.87553763646553 0.96926553884979 0.09600561982421 15.999 > 6 33 O 0.37553763646553 0.96926553884979 0.42933895315754 15.999 > 6 34 O 0.87553763646553 0.96926553884979 0.42933895315754 15.999 > 6 35 O 0.37553763646553 0.96926553884979 0.76267228649088 15.999 > 6 36 O 0.87553763646553 0.96926553884979 0.76267228649088 15.999 > 6 37 O 0.12553763646553 0.53073446115021 0.26267228649088 15.999 > 7 38 O 0.62553763646553 0.53073446115021 0.26267228649088 15.999 > 7 39 O 0.12553763646553 0.53073446115021 0.59600561982421 15.999 > 7 40 O 0.62553763646553 0.53073446115021 0.59600561982421 15.999 > 7 41 O 0.12553763646553 0.53073446115021 0.92933895315754 15.999 > 7 42 O 0.62553763646553 0.53073446115021 0.92933895315754 15.999 > 7 43 O 0.37446236353447 0.53073446115021 0.23732771350912 15.999 > 8 44 O 0.87446236353447 0.53073446115021 0.23732771350912 15.999 > 8 45 O 0.37446236353447 0.53073446115021 0.57066104684246 15.999 > 8 46 O 0.87446236353447 0.53073446115021 0.57066104684246 15.999 > 8 47 O 0.37446236353447 0.53073446115021 0.90399438017579 15.999 > 8 48 O 0.87446236353447 0.53073446115021 0.90399438017579 15.999 > 8 49 O 0.08107953565770 0.21273001225639 0.05362487242613 15.999 > 1 50 O 0.58107953565770 0.21273001225639 0.05362487242613 15.999 > 1 51 O 0.08107953565770 0.21273001225639 0.38695820575946 15.999 > 1 52 O 0.58107953565770 0.21273001225639 0.38695820575946 15.999 > 1 53 O 0.08107953565770 0.21273001225639 0.72029153909280 15.999 > 1 54 O 0.58107953565770 0.21273001225639 0.72029153909280 15.999 > 1 55 O 0.41892046434230 0.21273001225639 0.11304179424054 15.999 > 2 56 O 0.91892046434230 0.21273001225639 0.11304179424054 15.999 > 2 57 O 0.41892046434230 0.21273001225639 0.44637512757387 15.999 > 2 58 O 0.91892046434230 0.21273001225639 0.44637512757387 15.999 > 2 59 O 0.41892046434230 0.21273001225639 0.77970846090720 15.999 > 2 60 O 0.91892046434230 0.21273001225639 0.77970846090720 15.999 > 2 61 O 0.16892046434230 0.28726998774361 0.27970846090720 15.999 > 3 62 O 0.66892046434230 0.28726998774361 0.27970846090720 15.999 > 3 63 O 0.16892046434230 0.28726998774361 0.61304179424054 15.999 > 3 64 O 0.66892046434230 0.28726998774361 0.61304179424054 15.999 > 3 65 O 0.16892046434230 0.28726998774361 0.94637512757387 15.999 > 3 66 O 0.66892046434230 0.28726998774361 0.94637512757387 15.999 > 3 67 O 0.33107953565770 0.28726998774361 0.22029153909280 15.999 > 4 68 O 0.83107953565770 0.28726998774361 0.22029153909280 15.999 > 4 69 O 0.33107953565770 0.28726998774361 0.55362487242613 15.999 > 4 70 O 0.83107953565770 0.28726998774361 0.55362487242613 15.999 > 4 71 O 0.33107953565770 0.28726998774361 0.88695820575946 15.999 > 4 72 O 0.83107953565770 0.28726998774361 0.88695820575946 15.999 > 4 73 O 0.37446236353447 0.46926553884979 0.07066104684246 15.999 > 5 74 O 0.87446236353447 0.46926553884979 0.07066104684246 15.999 > 5 75 O 0.37446236353447 0.46926553884979 0.40399438017579 15.999 > 5 76 O 0.87446236353447 0.46926553884979 0.40399438017579 15.999 > 5 77 O 0.37446236353447 0.46926553884979 0.73732771350912 15.999 > 5 78 O 0.87446236353447 0.46926553884979 0.73732771350912 15.999 > 5 79 O 0.12553763646553 0.46926553884979 0.09600561982421 15.999 > 6 80 O 0.62553763646553 0.46926553884979 0.09600561982421 15.999 > 6 81 O 0.12553763646553 0.46926553884979 0.42933895315754 15.999 > 6 82 O 0.62553763646553 0.46926553884979 0.42933895315754 15.999 > 6 83 O 0.12553763646553 0.46926553884979 0.76267228649088 15.999 > 6 84 O 0.62553763646553 0.46926553884979 0.76267228649088 15.999 > 6 85 O 0.37553763646553 0.03073446115021 0.26267228649088 15.999 > 7 86 O 0.87553763646553 0.03073446115021 0.26267228649088 15.999 > 7 87 O 0.37553763646553 0.03073446115021 0.59600561982421 15.999 > 7 88 O 0.87553763646553 0.03073446115021 0.59600561982421 15.999 > 7 89 O 0.37553763646553 0.03073446115021 0.92933895315754 15.999 > 7 90 O 0.87553763646553 0.03073446115021 0.92933895315754 15.999 > 7 91 O 0.12446236353447 0.03073446115021 0.23732771350912 15.999 > 8 92 O 0.62446236353447 0.03073446115021 0.23732771350912 15.999 > 8 93 O 0.12446236353447 0.03073446115021 0.57066104684246 15.999 > 8 94 O 0.62446236353447 0.03073446115021 0.57066104684246 15.999 > 8 95 O 0.12446236353447 0.03073446115021 0.90399438017579 15.999 > 8 96 O 0.62446236353447 0.03073446115021 0.90399438017579 15.999 > 8 *97 Nb 0.25000000000000 0.60631127484815 0.08333333333333 92.906 > 9 98 Nb 0.75000000000000 0.60631127484815 0.08333333333333 92.906 > 9 99 Nb 0.25000000000000 0.60631127484815 0.41666666666667 92.906 > 9 100 Nb 0.75000000000000 0.60631127484815 0.41666666666667 92.906 > 9 101 Nb 0.25000000000000 0.60631127484815 0.75000000000000 92.906 > 9 102 Nb 0.75000000000000 0.60631127484815 0.75000000000000 92.906 > 9 103 Nb 0.00000000000000 0.89368872515185 0.25000000000000 92.906 > 10 104 Nb 0.50000000000000 0.89368872515185 0.25000000000000 92.906 > 10 105 Nb 0.00000000000000 0.89368872515185 0.58333333333333 92.906 > 10 106 Nb 0.50000000000000 0.89368872515185 0.58333333333333 92.906 > 10 107 Nb 0.00000000000000 0.89368872515185 0.91666666666667 92.906 > 10 108 Nb 0.50000000000000 0.89368872515185 0.91666666666667 92.906 > 10 109 Nb 0.00000000000000 0.10631127484815 0.08333333333333 92.906 > 9 110 Nb 0.50000000000000 0.10631127484815 0.08333333333333 92.906 > 9 111 Nb 0.00000000000000 0.10631127484815 0.41666666666667 92.906 > 9 112 Nb 0.50000000000000 0.10631127484815 0.41666666666667 92.906 > 9 113 Nb 0.00000000000000 0.10631127484815 0.75000000000000 92.906 > 9 114 Nb 0.50000000000000 0.10631127484815 0.75000000000000 92.906 > 9 115 Nb 0.25000000000000 0.39368872515185 0.25000000000000 92.906 > 10 116 Nb 0.75000000000000 0.39368872515185 0.25000000000000 92.906 > 10 117 Nb 0.25000000000000 0.39368872515185 0.58333333333333 92.906 > 10 118 Nb 0.75000000000000 0.39368872515185 0.58333333333333 92.906 > 10 119 Nb 0.25000000000000 0.39368872515185 0.91666666666667 92.906 > 10 120 Nb 0.75000000000000 0.39368872515185 0.91666666666667 92.906 > 10 *121 Ho 0.00000000000000 0.62898814565535 0.08333333333333 164.930 > 11 122 Ho 0.50000000000000 0.62898814565535 0.08333333333333 164.930 > 11 123 Ho 0.00000000000000 0.62898814565535 0.41666666666667 164.930 > 11 124 Ho 0.50000000000000 0.62898814565535 0.41666666666667 164.930 > 11 125 Ho 0.00000000000000 0.62898814565535 0.75000000000000 164.930 > 11 126 Ho 0.50000000000000 0.62898814565535 0.75000000000000 164.930 > 11 127 Ho 0.25000000000000 0.87101185434465 0.25000000000000 164.930 > 12 128 Ho 0.75000000000000 0.87101185434465 0.25000000000000 164.930 > 12 129 Ho 0.25000000000000 0.87101185434465 0.58333333333333 164.930 > 12 130 Ho 0.75000000000000 0.87101185434465 0.58333333333333 164.930 > 12 131 Ho 0.25000000000000 0.87101185434465 0.91666666666667 164.930 > 12 132 Ho 0.75000000000000 0.87101185434465 0.91666666666667 164.930 > 12 133 Ho 0.25000000000000 0.12898814565535 0.08333333333333 164.930 > 11 134 Ho 0.75000000000000 0.12898814565535 0.08333333333333 164.930 > 11 135 Ho 0.25000000000000 0.12898814565535 0.41666666666667 164.930 > 11 136 Ho 0.75000000000000 0.12898814565535 0.41666666666667 164.930 > 11 137 Ho 0.25000000000000 0.12898814565535 0.75000000000000 164.930 > 11 138 Ho 0.75000000000000 0.12898814565535 0.75000000000000 164.930 > 11 139 Ho 0.00000000000000 0.37101185434465 0.25000000000000 164.930 > 12 140 Ho 0.50000000000000 0.37101185434465 0.25000000000000 164.930 > 12 141 Ho 0.00000000000000 0.37101185434465 0.58333333333333 164.930 > 12 142 Ho 0.50000000000000 0.37101185434465 0.58333333333333 164.930 > 12 143 Ho 0.00000000000000 0.37101185434465 0.91666666666667 164.930 > 12 144 Ho 0.50000000000000 0.37101185434465 0.91666666666667 164.930 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2251760 0.0000000 -0.3192712 0.0000000 4.8810049 0.0000000 -0.3192477 0.0000000 5.1369647 -------------------------- Born effective charges -------------------------- 1 O -3.3249176 -0.9760321 0.3628927 -0.9926373 -2.5340716 0.5666387 0.4155153 0.4366146 -1.5426463 2 O -3.3249176 0.9760321 0.3628927 0.9926373 -2.5340716 -0.5666387 0.4155153 -0.4366146 -1.5426463 3 O -3.3249176 -0.9760321 0.3628927 -0.9926373 -2.5340716 0.5666387 0.4155153 0.4366146 -1.5426463 4 O -3.3249176 0.9760321 0.3628927 0.9926373 -2.5340716 -0.5666387 0.4155153 -0.4366146 -1.5426463 5 O -1.8341102 0.1702742 0.0502603 0.0454255 -2.1313356 -0.6326198 0.0156800 -0.6697467 -3.4625649 6 O -1.8341102 -0.1702742 0.0502603 -0.0454255 -2.1313356 0.6326198 0.0156800 0.6697467 -3.4625649 7 O -1.8341102 0.1702742 0.0502603 0.0454255 -2.1313356 -0.6326198 0.0156800 -0.6697467 -3.4625649 8 O -1.8341102 -0.1702742 0.0502603 -0.0454255 -2.1313356 0.6326198 0.0156800 0.6697467 -3.4625649 9 Nb 5.7189190 0.0000000 -0.6944735 0.0000000 5.3933377 0.0000000 -1.2932660 0.0000000 5.5301981 10 Nb 5.7189190 0.0000000 -0.6944735 0.0000000 5.3933377 0.0000000 -1.2932660 0.0000000 5.5301981 11 Ho 4.5991365 0.0000000 -0.1318324 0.0000000 3.9374767 0.0000000 0.4308755 0.0000000 4.4802243 12 Ho 4.5991365 0.0000000 -0.1318324 0.0000000 3.9374767 0.0000000 0.4308755 0.0000000 4.4802243 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.908 Solver_block: 200 / 400 - Time: 0.915 Solver_block: 300 / 400 - Time: 0.924 Solver_block: 400 / 400 - Time: 0.921 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.744 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:24:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:24:44]------------------------- 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 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.504095640003654 -5.438292630000000 0.000000000000000 b 3.504095640003654 5.438292630000000 0.000000000000000 c -3.365423118911363 0.000000000000000 3.795705749757436 Atomic positions (fractional): 1 O 0.94942905905900 0.37488908357178 0.16087461727839 15.999 2 O 0.62511091642822 0.05057094094099 0.33912538272161 15.999 3 O 0.05057094094100 0.62511091642822 0.83912538272161 15.999 4 O 0.37488908357178 0.94942905905900 0.66087461727839 15.999 5 O 0.27965918821915 0.21819026591873 0.21198314052737 15.999 6 O 0.78180973408127 0.72034081178085 0.28801685947263 15.999 7 O 0.72034081178085 0.78180973408127 0.78801685947263 15.999 8 O 0.21819026591873 0.27965918821915 0.71198314052737 15.999 9 Nb 0.89368872515185 0.10631127484815 0.25000000000000 92.906 10 Nb 0.10631127484815 0.89368872515185 0.75000000000000 92.906 11 Ho 0.37101185434465 0.62898814565535 0.25000000000000 164.930 12 Ho 0.62898814565535 0.37101185434465 0.75000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.016382560014616 0.000000000000000 0.000000000000000 b 0.000000000000000 10.876585260000001 0.000000000000000 c -10.096269356734089 0.000000000000000 11.387117249272308 Atomic positions (fractional): 1 O 0.33107953565770 0.71273001225639 0.05362487242613 15.999 > 1 2 O 0.83107953565770 0.71273001225639 0.05362487242613 15.999 > 1 3 O 0.33107953565770 0.71273001225639 0.38695820575946 15.999 > 1 4 O 0.83107953565770 0.71273001225639 0.38695820575946 15.999 > 1 5 O 0.33107953565770 0.71273001225639 0.72029153909280 15.999 > 1 6 O 0.83107953565770 0.71273001225639 0.72029153909280 15.999 > 1 7 O 0.16892046434230 0.71273001225639 0.11304179424054 15.999 > 7 8 O 0.66892046434230 0.71273001225639 0.11304179424054 15.999 > 7 9 O 0.16892046434230 0.71273001225639 0.44637512757387 15.999 > 7 10 O 0.66892046434230 0.71273001225639 0.44637512757387 15.999 > 7 11 O 0.16892046434230 0.71273001225639 0.77970846090720 15.999 > 7 12 O 0.66892046434230 0.71273001225639 0.77970846090720 15.999 > 7 13 O 0.41892046434230 0.78726998774361 0.27970846090720 15.999 > 13 14 O 0.91892046434230 0.78726998774361 0.27970846090720 15.999 > 13 15 O 0.41892046434230 0.78726998774361 0.61304179424054 15.999 > 13 16 O 0.91892046434230 0.78726998774361 0.61304179424054 15.999 > 13 17 O 0.41892046434230 0.78726998774361 0.94637512757387 15.999 > 13 18 O 0.91892046434230 0.78726998774361 0.94637512757387 15.999 > 13 19 O 0.08107953565770 0.78726998774361 0.22029153909280 15.999 > 19 20 O 0.58107953565770 0.78726998774361 0.22029153909280 15.999 > 19 21 O 0.08107953565770 0.78726998774361 0.55362487242613 15.999 > 19 22 O 0.58107953565770 0.78726998774361 0.55362487242613 15.999 > 19 23 O 0.08107953565770 0.78726998774361 0.88695820575946 15.999 > 19 24 O 0.58107953565770 0.78726998774361 0.88695820575946 15.999 > 19 25 O 0.12446236353447 0.96926553884979 0.07066104684246 15.999 > 25 26 O 0.62446236353447 0.96926553884979 0.07066104684246 15.999 > 25 27 O 0.12446236353447 0.96926553884979 0.40399438017579 15.999 > 25 28 O 0.62446236353447 0.96926553884979 0.40399438017579 15.999 > 25 29 O 0.12446236353447 0.96926553884979 0.73732771350912 15.999 > 25 30 O 0.62446236353447 0.96926553884979 0.73732771350912 15.999 > 25 31 O 0.37553763646553 0.96926553884979 0.09600561982421 15.999 > 31 32 O 0.87553763646553 0.96926553884979 0.09600561982421 15.999 > 31 33 O 0.37553763646553 0.96926553884979 0.42933895315754 15.999 > 31 34 O 0.87553763646553 0.96926553884979 0.42933895315754 15.999 > 31 35 O 0.37553763646553 0.96926553884979 0.76267228649088 15.999 > 31 36 O 0.87553763646553 0.96926553884979 0.76267228649088 15.999 > 31 37 O 0.12553763646553 0.53073446115021 0.26267228649088 15.999 > 37 38 O 0.62553763646553 0.53073446115021 0.26267228649088 15.999 > 37 39 O 0.12553763646553 0.53073446115021 0.59600561982421 15.999 > 37 40 O 0.62553763646553 0.53073446115021 0.59600561982421 15.999 > 37 41 O 0.12553763646553 0.53073446115021 0.92933895315754 15.999 > 37 42 O 0.62553763646553 0.53073446115021 0.92933895315754 15.999 > 37 43 O 0.37446236353447 0.53073446115021 0.23732771350912 15.999 > 43 44 O 0.87446236353447 0.53073446115021 0.23732771350912 15.999 > 43 45 O 0.37446236353447 0.53073446115021 0.57066104684246 15.999 > 43 46 O 0.87446236353447 0.53073446115021 0.57066104684246 15.999 > 43 47 O 0.37446236353447 0.53073446115021 0.90399438017579 15.999 > 43 48 O 0.87446236353447 0.53073446115021 0.90399438017579 15.999 > 43 49 O 0.08107953565770 0.21273001225639 0.05362487242613 15.999 > 1 50 O 0.58107953565770 0.21273001225639 0.05362487242613 15.999 > 1 51 O 0.08107953565770 0.21273001225639 0.38695820575946 15.999 > 1 52 O 0.58107953565770 0.21273001225639 0.38695820575946 15.999 > 1 53 O 0.08107953565770 0.21273001225639 0.72029153909280 15.999 > 1 54 O 0.58107953565770 0.21273001225639 0.72029153909280 15.999 > 1 55 O 0.41892046434230 0.21273001225639 0.11304179424054 15.999 > 7 56 O 0.91892046434230 0.21273001225639 0.11304179424054 15.999 > 7 57 O 0.41892046434230 0.21273001225639 0.44637512757387 15.999 > 7 58 O 0.91892046434230 0.21273001225639 0.44637512757387 15.999 > 7 59 O 0.41892046434230 0.21273001225639 0.77970846090720 15.999 > 7 60 O 0.91892046434230 0.21273001225639 0.77970846090720 15.999 > 7 61 O 0.16892046434230 0.28726998774361 0.27970846090720 15.999 > 13 62 O 0.66892046434230 0.28726998774361 0.27970846090720 15.999 > 13 63 O 0.16892046434230 0.28726998774361 0.61304179424054 15.999 > 13 64 O 0.66892046434230 0.28726998774361 0.61304179424054 15.999 > 13 65 O 0.16892046434230 0.28726998774361 0.94637512757387 15.999 > 13 66 O 0.66892046434230 0.28726998774361 0.94637512757387 15.999 > 13 67 O 0.33107953565770 0.28726998774361 0.22029153909280 15.999 > 19 68 O 0.83107953565770 0.28726998774361 0.22029153909280 15.999 > 19 69 O 0.33107953565770 0.28726998774361 0.55362487242613 15.999 > 19 70 O 0.83107953565770 0.28726998774361 0.55362487242613 15.999 > 19 71 O 0.33107953565770 0.28726998774361 0.88695820575946 15.999 > 19 72 O 0.83107953565770 0.28726998774361 0.88695820575946 15.999 > 19 73 O 0.37446236353447 0.46926553884979 0.07066104684246 15.999 > 25 74 O 0.87446236353447 0.46926553884979 0.07066104684246 15.999 > 25 75 O 0.37446236353447 0.46926553884979 0.40399438017579 15.999 > 25 76 O 0.87446236353447 0.46926553884979 0.40399438017579 15.999 > 25 77 O 0.37446236353447 0.46926553884979 0.73732771350912 15.999 > 25 78 O 0.87446236353447 0.46926553884979 0.73732771350912 15.999 > 25 79 O 0.12553763646553 0.46926553884979 0.09600561982421 15.999 > 31 80 O 0.62553763646553 0.46926553884979 0.09600561982421 15.999 > 31 81 O 0.12553763646553 0.46926553884979 0.42933895315754 15.999 > 31 82 O 0.62553763646553 0.46926553884979 0.42933895315754 15.999 > 31 83 O 0.12553763646553 0.46926553884979 0.76267228649088 15.999 > 31 84 O 0.62553763646553 0.46926553884979 0.76267228649088 15.999 > 31 85 O 0.37553763646553 0.03073446115021 0.26267228649088 15.999 > 37 86 O 0.87553763646553 0.03073446115021 0.26267228649088 15.999 > 37 87 O 0.37553763646553 0.03073446115021 0.59600561982421 15.999 > 37 88 O 0.87553763646553 0.03073446115021 0.59600561982421 15.999 > 37 89 O 0.37553763646553 0.03073446115021 0.92933895315754 15.999 > 37 90 O 0.87553763646553 0.03073446115021 0.92933895315754 15.999 > 37 91 O 0.12446236353447 0.03073446115021 0.23732771350912 15.999 > 43 92 O 0.62446236353447 0.03073446115021 0.23732771350912 15.999 > 43 93 O 0.12446236353447 0.03073446115021 0.57066104684246 15.999 > 43 94 O 0.62446236353447 0.03073446115021 0.57066104684246 15.999 > 43 95 O 0.12446236353447 0.03073446115021 0.90399438017579 15.999 > 43 96 O 0.62446236353447 0.03073446115021 0.90399438017579 15.999 > 43 97 Nb 0.25000000000000 0.60631127484815 0.08333333333333 92.906 > 97 98 Nb 0.75000000000000 0.60631127484815 0.08333333333333 92.906 > 97 99 Nb 0.25000000000000 0.60631127484815 0.41666666666667 92.906 > 97 100 Nb 0.75000000000000 0.60631127484815 0.41666666666667 92.906 > 97 101 Nb 0.25000000000000 0.60631127484815 0.75000000000000 92.906 > 97 102 Nb 0.75000000000000 0.60631127484815 0.75000000000000 92.906 > 97 103 Nb 0.00000000000000 0.89368872515185 0.25000000000000 92.906 > 103 104 Nb 0.50000000000000 0.89368872515185 0.25000000000000 92.906 > 103 105 Nb 0.00000000000000 0.89368872515185 0.58333333333333 92.906 > 103 106 Nb 0.50000000000000 0.89368872515185 0.58333333333333 92.906 > 103 107 Nb 0.00000000000000 0.89368872515185 0.91666666666667 92.906 > 103 108 Nb 0.50000000000000 0.89368872515185 0.91666666666667 92.906 > 103 109 Nb 0.00000000000000 0.10631127484815 0.08333333333333 92.906 > 97 110 Nb 0.50000000000000 0.10631127484815 0.08333333333333 92.906 > 97 111 Nb 0.00000000000000 0.10631127484815 0.41666666666667 92.906 > 97 112 Nb 0.50000000000000 0.10631127484815 0.41666666666667 92.906 > 97 113 Nb 0.00000000000000 0.10631127484815 0.75000000000000 92.906 > 97 114 Nb 0.50000000000000 0.10631127484815 0.75000000000000 92.906 > 97 115 Nb 0.25000000000000 0.39368872515185 0.25000000000000 92.906 > 103 116 Nb 0.75000000000000 0.39368872515185 0.25000000000000 92.906 > 103 117 Nb 0.25000000000000 0.39368872515185 0.58333333333333 92.906 > 103 118 Nb 0.75000000000000 0.39368872515185 0.58333333333333 92.906 > 103 119 Nb 0.25000000000000 0.39368872515185 0.91666666666667 92.906 > 103 120 Nb 0.75000000000000 0.39368872515185 0.91666666666667 92.906 > 103 121 Ho 0.00000000000000 0.62898814565535 0.08333333333333 164.930 > 121 122 Ho 0.50000000000000 0.62898814565535 0.08333333333333 164.930 > 121 123 Ho 0.00000000000000 0.62898814565535 0.41666666666667 164.930 > 121 124 Ho 0.50000000000000 0.62898814565535 0.41666666666667 164.930 > 121 125 Ho 0.00000000000000 0.62898814565535 0.75000000000000 164.930 > 121 126 Ho 0.50000000000000 0.62898814565535 0.75000000000000 164.930 > 121 127 Ho 0.25000000000000 0.87101185434465 0.25000000000000 164.930 > 127 128 Ho 0.75000000000000 0.87101185434465 0.25000000000000 164.930 > 127 129 Ho 0.25000000000000 0.87101185434465 0.58333333333333 164.930 > 127 130 Ho 0.75000000000000 0.87101185434465 0.58333333333333 164.930 > 127 131 Ho 0.25000000000000 0.87101185434465 0.91666666666667 164.930 > 127 132 Ho 0.75000000000000 0.87101185434465 0.91666666666667 164.930 > 127 133 Ho 0.25000000000000 0.12898814565535 0.08333333333333 164.930 > 121 134 Ho 0.75000000000000 0.12898814565535 0.08333333333333 164.930 > 121 135 Ho 0.25000000000000 0.12898814565535 0.41666666666667 164.930 > 121 136 Ho 0.75000000000000 0.12898814565535 0.41666666666667 164.930 > 121 137 Ho 0.25000000000000 0.12898814565535 0.75000000000000 164.930 > 121 138 Ho 0.75000000000000 0.12898814565535 0.75000000000000 164.930 > 121 139 Ho 0.00000000000000 0.37101185434465 0.25000000000000 164.930 > 127 140 Ho 0.50000000000000 0.37101185434465 0.25000000000000 164.930 > 127 141 Ho 0.00000000000000 0.37101185434465 0.58333333333333 164.930 > 127 142 Ho 0.50000000000000 0.37101185434465 0.58333333333333 164.930 > 127 143 Ho 0.00000000000000 0.37101185434465 0.91666666666667 164.930 > 127 144 Ho 0.50000000000000 0.37101185434465 0.91666666666667 164.930 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2251760 0.0000000 -0.3192712 0.0000000 4.8810049 0.0000000 -0.3192477 0.0000000 5.1369647 -------------------------- Born effective charges -------------------------- 1 O -3.3249176 -0.9760321 0.3628927 -0.9926373 -2.5340716 0.5666387 0.4155153 0.4366146 -1.5426463 2 O -3.3249176 0.9760321 0.3628927 0.9926373 -2.5340716 -0.5666387 0.4155153 -0.4366146 -1.5426463 3 O -3.3249176 -0.9760321 0.3628927 -0.9926373 -2.5340716 0.5666387 0.4155153 0.4366146 -1.5426463 4 O -3.3249176 0.9760321 0.3628927 0.9926373 -2.5340716 -0.5666387 0.4155153 -0.4366146 -1.5426463 5 O -1.8341102 0.1702742 0.0502603 0.0454255 -2.1313356 -0.6326198 0.0156800 -0.6697467 -3.4625649 6 O -1.8341102 -0.1702742 0.0502603 -0.0454255 -2.1313356 0.6326198 0.0156800 0.6697467 -3.4625649 7 O -1.8341102 0.1702742 0.0502603 0.0454255 -2.1313356 -0.6326198 0.0156800 -0.6697467 -3.4625649 8 O -1.8341102 -0.1702742 0.0502603 -0.0454255 -2.1313356 0.6326198 0.0156800 0.6697467 -3.4625649 9 Nb 5.7189190 0.0000000 -0.6944735 0.0000000 5.3933377 0.0000000 -1.2932660 0.0000000 5.5301981 10 Nb 5.7189190 0.0000000 -0.6944735 0.0000000 5.3933377 0.0000000 -1.2932660 0.0000000 5.5301981 11 Ho 4.5991365 0.0000000 -0.1318324 0.0000000 3.9374767 0.0000000 0.4308755 0.0000000 4.4802243 12 Ho 4.5991365 0.0000000 -0.1318324 0.0000000 3.9374767 0.0000000 0.4308755 0.0000000 4.4802243 ---------------------------------------------------------------------------- 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 25, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 121, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 2026-01-07 19:25:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:25:09]------------------------- 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 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.504095640003654 -5.438292630000000 0.000000000000000 b 3.504095640003654 5.438292630000000 0.000000000000000 c -3.365423118911363 0.000000000000000 3.795705749757436 Atomic positions (fractional): 1 O 0.94942905905900 0.37488908357178 0.16087461727839 15.999 2 O 0.62511091642822 0.05057094094099 0.33912538272161 15.999 3 O 0.05057094094100 0.62511091642822 0.83912538272161 15.999 4 O 0.37488908357178 0.94942905905900 0.66087461727839 15.999 5 O 0.27965918821915 0.21819026591873 0.21198314052737 15.999 6 O 0.78180973408127 0.72034081178085 0.28801685947263 15.999 7 O 0.72034081178085 0.78180973408127 0.78801685947263 15.999 8 O 0.21819026591873 0.27965918821915 0.71198314052737 15.999 9 Nb 0.89368872515185 0.10631127484815 0.25000000000000 92.906 10 Nb 0.10631127484815 0.89368872515185 0.75000000000000 92.906 11 Ho 0.37101185434465 0.62898814565535 0.25000000000000 164.930 12 Ho 0.62898814565535 0.37101185434465 0.75000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.016382560014616 0.000000000000000 0.000000000000000 b 0.000000000000000 10.876585260000001 0.000000000000000 c -10.096269356734089 0.000000000000000 11.387117249272308 Atomic positions (fractional): 1 O 0.33107953565770 0.71273001225639 0.05362487242613 15.999 > 1 2 O 0.83107953565770 0.71273001225639 0.05362487242613 15.999 > 1 3 O 0.33107953565770 0.71273001225639 0.38695820575946 15.999 > 1 4 O 0.83107953565770 0.71273001225639 0.38695820575946 15.999 > 1 5 O 0.33107953565770 0.71273001225639 0.72029153909280 15.999 > 1 6 O 0.83107953565770 0.71273001225639 0.72029153909280 15.999 > 1 7 O 0.16892046434230 0.71273001225639 0.11304179424054 15.999 > 7 8 O 0.66892046434230 0.71273001225639 0.11304179424054 15.999 > 7 9 O 0.16892046434230 0.71273001225639 0.44637512757387 15.999 > 7 10 O 0.66892046434230 0.71273001225639 0.44637512757387 15.999 > 7 11 O 0.16892046434230 0.71273001225639 0.77970846090720 15.999 > 7 12 O 0.66892046434230 0.71273001225639 0.77970846090720 15.999 > 7 13 O 0.41892046434230 0.78726998774361 0.27970846090720 15.999 > 13 14 O 0.91892046434230 0.78726998774361 0.27970846090720 15.999 > 13 15 O 0.41892046434230 0.78726998774361 0.61304179424054 15.999 > 13 16 O 0.91892046434230 0.78726998774361 0.61304179424054 15.999 > 13 17 O 0.41892046434230 0.78726998774361 0.94637512757387 15.999 > 13 18 O 0.91892046434230 0.78726998774361 0.94637512757387 15.999 > 13 19 O 0.08107953565770 0.78726998774361 0.22029153909280 15.999 > 19 20 O 0.58107953565770 0.78726998774361 0.22029153909280 15.999 > 19 21 O 0.08107953565770 0.78726998774361 0.55362487242613 15.999 > 19 22 O 0.58107953565770 0.78726998774361 0.55362487242613 15.999 > 19 23 O 0.08107953565770 0.78726998774361 0.88695820575946 15.999 > 19 24 O 0.58107953565770 0.78726998774361 0.88695820575946 15.999 > 19 25 O 0.12446236353447 0.96926553884979 0.07066104684246 15.999 > 25 26 O 0.62446236353447 0.96926553884979 0.07066104684246 15.999 > 25 27 O 0.12446236353447 0.96926553884979 0.40399438017579 15.999 > 25 28 O 0.62446236353447 0.96926553884979 0.40399438017579 15.999 > 25 29 O 0.12446236353447 0.96926553884979 0.73732771350912 15.999 > 25 30 O 0.62446236353447 0.96926553884979 0.73732771350912 15.999 > 25 31 O 0.37553763646553 0.96926553884979 0.09600561982421 15.999 > 31 32 O 0.87553763646553 0.96926553884979 0.09600561982421 15.999 > 31 33 O 0.37553763646553 0.96926553884979 0.42933895315754 15.999 > 31 34 O 0.87553763646553 0.96926553884979 0.42933895315754 15.999 > 31 35 O 0.37553763646553 0.96926553884979 0.76267228649088 15.999 > 31 36 O 0.87553763646553 0.96926553884979 0.76267228649088 15.999 > 31 37 O 0.12553763646553 0.53073446115021 0.26267228649088 15.999 > 37 38 O 0.62553763646553 0.53073446115021 0.26267228649088 15.999 > 37 39 O 0.12553763646553 0.53073446115021 0.59600561982421 15.999 > 37 40 O 0.62553763646553 0.53073446115021 0.59600561982421 15.999 > 37 41 O 0.12553763646553 0.53073446115021 0.92933895315754 15.999 > 37 42 O 0.62553763646553 0.53073446115021 0.92933895315754 15.999 > 37 43 O 0.37446236353447 0.53073446115021 0.23732771350912 15.999 > 43 44 O 0.87446236353447 0.53073446115021 0.23732771350912 15.999 > 43 45 O 0.37446236353447 0.53073446115021 0.57066104684246 15.999 > 43 46 O 0.87446236353447 0.53073446115021 0.57066104684246 15.999 > 43 47 O 0.37446236353447 0.53073446115021 0.90399438017579 15.999 > 43 48 O 0.87446236353447 0.53073446115021 0.90399438017579 15.999 > 43 49 O 0.08107953565770 0.21273001225639 0.05362487242613 15.999 > 1 50 O 0.58107953565770 0.21273001225639 0.05362487242613 15.999 > 1 51 O 0.08107953565770 0.21273001225639 0.38695820575946 15.999 > 1 52 O 0.58107953565770 0.21273001225639 0.38695820575946 15.999 > 1 53 O 0.08107953565770 0.21273001225639 0.72029153909280 15.999 > 1 54 O 0.58107953565770 0.21273001225639 0.72029153909280 15.999 > 1 55 O 0.41892046434230 0.21273001225639 0.11304179424054 15.999 > 7 56 O 0.91892046434230 0.21273001225639 0.11304179424054 15.999 > 7 57 O 0.41892046434230 0.21273001225639 0.44637512757387 15.999 > 7 58 O 0.91892046434230 0.21273001225639 0.44637512757387 15.999 > 7 59 O 0.41892046434230 0.21273001225639 0.77970846090720 15.999 > 7 60 O 0.91892046434230 0.21273001225639 0.77970846090720 15.999 > 7 61 O 0.16892046434230 0.28726998774361 0.27970846090720 15.999 > 13 62 O 0.66892046434230 0.28726998774361 0.27970846090720 15.999 > 13 63 O 0.16892046434230 0.28726998774361 0.61304179424054 15.999 > 13 64 O 0.66892046434230 0.28726998774361 0.61304179424054 15.999 > 13 65 O 0.16892046434230 0.28726998774361 0.94637512757387 15.999 > 13 66 O 0.66892046434230 0.28726998774361 0.94637512757387 15.999 > 13 67 O 0.33107953565770 0.28726998774361 0.22029153909280 15.999 > 19 68 O 0.83107953565770 0.28726998774361 0.22029153909280 15.999 > 19 69 O 0.33107953565770 0.28726998774361 0.55362487242613 15.999 > 19 70 O 0.83107953565770 0.28726998774361 0.55362487242613 15.999 > 19 71 O 0.33107953565770 0.28726998774361 0.88695820575946 15.999 > 19 72 O 0.83107953565770 0.28726998774361 0.88695820575946 15.999 > 19 73 O 0.37446236353447 0.46926553884979 0.07066104684246 15.999 > 25 74 O 0.87446236353447 0.46926553884979 0.07066104684246 15.999 > 25 75 O 0.37446236353447 0.46926553884979 0.40399438017579 15.999 > 25 76 O 0.87446236353447 0.46926553884979 0.40399438017579 15.999 > 25 77 O 0.37446236353447 0.46926553884979 0.73732771350912 15.999 > 25 78 O 0.87446236353447 0.46926553884979 0.73732771350912 15.999 > 25 79 O 0.12553763646553 0.46926553884979 0.09600561982421 15.999 > 31 80 O 0.62553763646553 0.46926553884979 0.09600561982421 15.999 > 31 81 O 0.12553763646553 0.46926553884979 0.42933895315754 15.999 > 31 82 O 0.62553763646553 0.46926553884979 0.42933895315754 15.999 > 31 83 O 0.12553763646553 0.46926553884979 0.76267228649088 15.999 > 31 84 O 0.62553763646553 0.46926553884979 0.76267228649088 15.999 > 31 85 O 0.37553763646553 0.03073446115021 0.26267228649088 15.999 > 37 86 O 0.87553763646553 0.03073446115021 0.26267228649088 15.999 > 37 87 O 0.37553763646553 0.03073446115021 0.59600561982421 15.999 > 37 88 O 0.87553763646553 0.03073446115021 0.59600561982421 15.999 > 37 89 O 0.37553763646553 0.03073446115021 0.92933895315754 15.999 > 37 90 O 0.87553763646553 0.03073446115021 0.92933895315754 15.999 > 37 91 O 0.12446236353447 0.03073446115021 0.23732771350912 15.999 > 43 92 O 0.62446236353447 0.03073446115021 0.23732771350912 15.999 > 43 93 O 0.12446236353447 0.03073446115021 0.57066104684246 15.999 > 43 94 O 0.62446236353447 0.03073446115021 0.57066104684246 15.999 > 43 95 O 0.12446236353447 0.03073446115021 0.90399438017579 15.999 > 43 96 O 0.62446236353447 0.03073446115021 0.90399438017579 15.999 > 43 97 Nb 0.25000000000000 0.60631127484815 0.08333333333333 92.906 > 97 98 Nb 0.75000000000000 0.60631127484815 0.08333333333333 92.906 > 97 99 Nb 0.25000000000000 0.60631127484815 0.41666666666667 92.906 > 97 100 Nb 0.75000000000000 0.60631127484815 0.41666666666667 92.906 > 97 101 Nb 0.25000000000000 0.60631127484815 0.75000000000000 92.906 > 97 102 Nb 0.75000000000000 0.60631127484815 0.75000000000000 92.906 > 97 103 Nb 0.00000000000000 0.89368872515185 0.25000000000000 92.906 > 103 104 Nb 0.50000000000000 0.89368872515185 0.25000000000000 92.906 > 103 105 Nb 0.00000000000000 0.89368872515185 0.58333333333333 92.906 > 103 106 Nb 0.50000000000000 0.89368872515185 0.58333333333333 92.906 > 103 107 Nb 0.00000000000000 0.89368872515185 0.91666666666667 92.906 > 103 108 Nb 0.50000000000000 0.89368872515185 0.91666666666667 92.906 > 103 109 Nb 0.00000000000000 0.10631127484815 0.08333333333333 92.906 > 97 110 Nb 0.50000000000000 0.10631127484815 0.08333333333333 92.906 > 97 111 Nb 0.00000000000000 0.10631127484815 0.41666666666667 92.906 > 97 112 Nb 0.50000000000000 0.10631127484815 0.41666666666667 92.906 > 97 113 Nb 0.00000000000000 0.10631127484815 0.75000000000000 92.906 > 97 114 Nb 0.50000000000000 0.10631127484815 0.75000000000000 92.906 > 97 115 Nb 0.25000000000000 0.39368872515185 0.25000000000000 92.906 > 103 116 Nb 0.75000000000000 0.39368872515185 0.25000000000000 92.906 > 103 117 Nb 0.25000000000000 0.39368872515185 0.58333333333333 92.906 > 103 118 Nb 0.75000000000000 0.39368872515185 0.58333333333333 92.906 > 103 119 Nb 0.25000000000000 0.39368872515185 0.91666666666667 92.906 > 103 120 Nb 0.75000000000000 0.39368872515185 0.91666666666667 92.906 > 103 121 Ho 0.00000000000000 0.62898814565535 0.08333333333333 164.930 > 121 122 Ho 0.50000000000000 0.62898814565535 0.08333333333333 164.930 > 121 123 Ho 0.00000000000000 0.62898814565535 0.41666666666667 164.930 > 121 124 Ho 0.50000000000000 0.62898814565535 0.41666666666667 164.930 > 121 125 Ho 0.00000000000000 0.62898814565535 0.75000000000000 164.930 > 121 126 Ho 0.50000000000000 0.62898814565535 0.75000000000000 164.930 > 121 127 Ho 0.25000000000000 0.87101185434465 0.25000000000000 164.930 > 127 128 Ho 0.75000000000000 0.87101185434465 0.25000000000000 164.930 > 127 129 Ho 0.25000000000000 0.87101185434465 0.58333333333333 164.930 > 127 130 Ho 0.75000000000000 0.87101185434465 0.58333333333333 164.930 > 127 131 Ho 0.25000000000000 0.87101185434465 0.91666666666667 164.930 > 127 132 Ho 0.75000000000000 0.87101185434465 0.91666666666667 164.930 > 127 133 Ho 0.25000000000000 0.12898814565535 0.08333333333333 164.930 > 121 134 Ho 0.75000000000000 0.12898814565535 0.08333333333333 164.930 > 121 135 Ho 0.25000000000000 0.12898814565535 0.41666666666667 164.930 > 121 136 Ho 0.75000000000000 0.12898814565535 0.41666666666667 164.930 > 121 137 Ho 0.25000000000000 0.12898814565535 0.75000000000000 164.930 > 121 138 Ho 0.75000000000000 0.12898814565535 0.75000000000000 164.930 > 121 139 Ho 0.00000000000000 0.37101185434465 0.25000000000000 164.930 > 127 140 Ho 0.50000000000000 0.37101185434465 0.25000000000000 164.930 > 127 141 Ho 0.00000000000000 0.37101185434465 0.58333333333333 164.930 > 127 142 Ho 0.50000000000000 0.37101185434465 0.58333333333333 164.930 > 127 143 Ho 0.00000000000000 0.37101185434465 0.91666666666667 164.930 > 127 144 Ho 0.50000000000000 0.37101185434465 0.91666666666667 164.930 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2251760 0.0000000 -0.3192712 0.0000000 4.8810049 0.0000000 -0.3192477 0.0000000 5.1369647 -------------------------- Born effective charges -------------------------- 1 O -3.3249176 -0.9760321 0.3628927 -0.9926373 -2.5340716 0.5666387 0.4155153 0.4366146 -1.5426463 2 O -3.3249176 0.9760321 0.3628927 0.9926373 -2.5340716 -0.5666387 0.4155153 -0.4366146 -1.5426463 3 O -3.3249176 -0.9760321 0.3628927 -0.9926373 -2.5340716 0.5666387 0.4155153 0.4366146 -1.5426463 4 O -3.3249176 0.9760321 0.3628927 0.9926373 -2.5340716 -0.5666387 0.4155153 -0.4366146 -1.5426463 5 O -1.8341102 0.1702742 0.0502603 0.0454255 -2.1313356 -0.6326198 0.0156800 -0.6697467 -3.4625649 6 O -1.8341102 -0.1702742 0.0502603 -0.0454255 -2.1313356 0.6326198 0.0156800 0.6697467 -3.4625649 7 O -1.8341102 0.1702742 0.0502603 0.0454255 -2.1313356 -0.6326198 0.0156800 -0.6697467 -3.4625649 8 O -1.8341102 -0.1702742 0.0502603 -0.0454255 -2.1313356 0.6326198 0.0156800 0.6697467 -3.4625649 9 Nb 5.7189190 0.0000000 -0.6944735 0.0000000 5.3933377 0.0000000 -1.2932660 0.0000000 5.5301981 10 Nb 5.7189190 0.0000000 -0.6944735 0.0000000 5.3933377 0.0000000 -1.2932660 0.0000000 5.5301981 11 Ho 4.5991365 0.0000000 -0.1318324 0.0000000 3.9374767 0.0000000 0.4308755 0.0000000 4.4802243 12 Ho 4.5991365 0.0000000 -0.1318324 0.0000000 3.9374767 0.0000000 0.4308755 0.0000000 4.4802243 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 11 11 13 ] 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: 0.79, Number of G-points: 303, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/432) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 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 3.475 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.648 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 12.352 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 16.961 ( 0.000 0.000 0.000) 0.000 18.738 ( 0.000 0.000 0.000) 0.000 19.668 ( 0.000 0.000 0.000) 0.000 19.674 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 21.030 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 23.841 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/432) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.651 -16.801 27.136) 31.923 0.578 ( 16.560 -33.598 7.260) 38.154 1.161 ( 47.161 -11.836 37.587) 61.458 3.499 ( 4.866 2.513 -0.407) 5.492 3.582 ( -1.433 -0.815 0.191) 1.659 3.766 ( -3.352 3.770 1.463) 5.253 4.570 ( 2.777 1.108 -0.481) 3.029 4.649 ( -16.212 2.548 23.226) 28.439 5.210 ( 2.940 1.010 -10.460) 10.912 5.527 ( 18.438 4.410 -10.898) 21.867 5.712 ( 3.718 4.941 0.648) 6.218 5.786 ( -1.713 0.307 -5.161) 5.447 6.369 ( 28.526 55.115 2.810) 62.124 6.688 ( -3.685 0.769 0.553) 3.805 7.132 ( 8.999 -0.347 3.089) 9.521 7.590 ( -12.215 -47.854 -24.274) 55.031 8.517 ( -8.924 -20.288 -3.403) 22.424 9.523 ( -2.120 -6.206 -6.145) 8.987 9.649 ( 1.273 8.812 4.951) 10.188 9.795 ( -1.592 2.040 -1.803) 3.154 10.867 ( 49.037 41.830 -31.080) 71.556 11.321 ( 12.493 -16.000 -10.932) 23.056 11.532 ( -12.073 12.527 32.439) 36.810 12.331 ( -0.865 -1.101 -2.911) 3.230 12.933 ( 1.330 -4.714 -3.867) 6.240 13.284 ( -11.274 -49.485 -21.584) 55.152 13.729 ( -2.587 -0.014 -1.827) 3.167 15.885 ( -6.467 -0.236 -9.412) 11.422 18.050 ( -46.605 49.537 91.542) 114.043 19.020 ( -38.634 -34.899 15.479) 54.316 19.607 ( -8.303 -0.872 -2.863) 8.826 20.012 ( -2.731 -2.804 0.137) 3.917 21.062 ( 4.085 1.454 2.624) 5.069 22.560 ( 56.460 54.643 -19.152) 80.873 23.589 ( 5.737 -45.952 -43.053) 63.231 23.859 ( 2.227 -0.690 -0.388) 2.364 ======================= Grid point 2 (3/432) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 1.940 -17.655 27.177) 32.466 1.157 ( 17.444 -30.276 8.609) 35.987 2.266 ( 43.957 -10.645 34.338) 56.786 3.513 ( 3.161 5.155 -1.498) 6.230 3.580 ( -0.489 1.283 -0.598) 1.497 3.731 ( -0.399 4.380 5.829) 7.303 4.576 ( 3.776 4.824 -1.389) 6.282 4.670 ( -9.909 0.858 13.505) 16.772 5.204 ( 7.693 0.449 -4.015) 8.689 5.568 ( 9.717 3.534 -6.774) 12.361 5.649 ( -0.380 3.106 -7.684) 8.297 5.752 ( -1.583 0.241 1.779) 2.394 6.313 ( 13.421 24.896 0.102) 28.283 6.625 ( -6.073 0.578 0.994) 6.181 7.273 ( 7.602 1.532 -1.494) 7.897 7.562 ( -2.631 -22.620 -12.189) 25.829 8.551 ( -8.127 -14.797 2.999) 17.146 9.473 ( -3.531 -7.071 -6.102) 9.985 9.643 ( 0.626 10.941 6.863) 12.931 9.731 ( 0.347 3.295 -2.558) 4.185 10.799 ( 17.548 23.746 -7.938) 30.574 11.515 ( 12.122 -17.331 -8.564) 22.818 11.655 ( -7.611 3.288 20.868) 22.455 12.301 ( 0.798 -1.587 -3.428) 3.861 12.956 ( 2.524 -11.268 -7.931) 14.009 13.314 ( -4.153 -13.115 -0.481) 13.765 13.646 ( -5.191 0.921 -3.409) 6.278 15.621 ( -10.351 3.540 -14.176) 17.906 18.091 ( -20.623 21.655 42.643) 52.083 18.982 ( -8.225 -8.819 -0.801) 12.086 19.426 ( -15.302 -3.404 -3.638) 16.092 19.967 ( -5.843 -1.901 -2.520) 6.641 21.179 ( 6.877 0.668 6.581) 9.542 22.629 ( 29.494 23.105 -9.897) 38.752 23.552 ( 0.608 -21.943 -19.240) 29.190 23.888 ( 1.189 0.493 0.994) 1.627 ======================= Grid point 3 (4/432) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 3.948 -17.744 24.731) 30.693 1.732 ( 17.613 -25.189 11.333) 32.759 3.222 ( 33.649 -6.284 23.073) 41.281 3.460 ( 4.516 6.324 -0.635) 7.797 3.552 ( -2.724 4.014 5.688) 7.476 3.791 ( 3.922 4.334 2.945) 6.545 4.558 ( 7.357 5.667 -6.316) 11.231 4.740 ( -3.596 -3.375 13.527) 14.397 5.221 ( 6.925 0.013 -11.114) 13.095 5.475 ( -3.482 2.952 -7.258) 8.574 5.652 ( 2.456 9.313 4.328) 10.559 5.733 ( -3.434 -3.376 5.586) 7.375 6.330 ( 12.257 9.963 -1.252) 15.845 6.555 ( -5.571 0.577 1.245) 5.737 7.211 ( -1.601 1.982 -11.064) 11.354 7.656 ( 8.173 -12.012 -4.932) 15.343 8.605 ( -10.432 -13.245 5.372) 17.695 9.378 ( -5.009 4.027 -2.897) 7.049 9.635 ( -2.665 5.148 2.855) 6.462 9.773 ( 10.124 -1.347 3.977) 10.960 10.741 ( 6.715 11.449 -3.828) 13.814 11.642 ( -1.606 2.078 1.433) 2.992 11.784 ( 2.902 -12.079 4.961) 13.376 12.308 ( 3.284 -1.437 -2.288) 4.253 12.997 ( 1.116 -15.942 -9.477) 18.580 13.411 ( 1.551 -1.706 10.482) 10.732 13.498 ( -7.811 3.293 -4.293) 9.502 15.256 ( -11.971 4.809 -16.991) 21.333 18.119 ( -11.769 11.387 22.004) 27.429 18.937 ( 6.080 6.462 -6.166) 10.805 19.228 ( -19.256 -9.923 0.440) 21.667 19.834 ( -7.528 0.577 -5.867) 9.562 21.354 ( 6.204 0.083 8.073) 10.182 22.702 ( 18.876 11.168 -7.340) 23.128 23.541 ( 1.450 -14.370 -11.096) 18.213 23.897 ( -1.280 2.068 2.429) 3.437 ======================= Grid point 4 (5/432) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 4.432 -14.800 17.567) 23.394 2.292 ( 16.183 -19.565 15.052) 29.517 3.311 ( -0.494 6.832 -2.225) 7.202 3.484 ( -2.148 4.582 -1.094) 5.178 3.757 ( 0.065 9.089 -4.499) 10.142 4.046 ( 24.902 -3.932 21.785) 33.319 4.571 ( 11.710 2.006 -5.482) 13.084 4.920 ( 0.721 -4.901 12.734) 13.664 5.146 ( 4.177 -2.495 -13.923) 14.748 5.325 ( -4.203 3.312 -5.275) 7.514 5.555 ( -11.435 7.368 6.875) 15.242 5.893 ( 6.597 0.677 10.414) 12.347 6.402 ( 4.231 -2.899 -1.604) 5.373 6.503 ( -0.562 4.102 0.035) 4.140 7.004 ( -4.141 3.271 -12.486) 13.555 7.841 ( 13.934 -8.561 -2.517) 16.547 8.582 ( -16.166 -8.718 3.133) 18.632 9.251 ( -1.732 7.910 -0.938) 8.151 9.575 ( -2.858 3.370 0.196) 4.423 10.060 ( 14.916 -3.694 10.105) 18.391 10.708 ( 1.836 -1.057 -2.522) 3.294 11.495 ( -10.937 11.051 -1.603) 15.630 12.005 ( 8.459 -12.857 0.564) 15.401 12.346 ( 3.617 -0.885 -1.152) 3.898 13.024 ( -2.891 -12.680 -4.873) 13.889 13.291 ( -7.139 7.051 -5.533) 11.458 13.638 ( 6.197 -3.247 14.942) 16.499 14.861 ( -11.388 5.100 -17.265) 21.302 18.095 ( -6.415 6.173 7.512) 11.649 18.900 ( 7.400 10.864 -2.033) 13.301 19.122 ( -13.572 -10.907 2.564) 17.599 19.652 ( -6.720 1.072 -7.069) 9.812 21.496 ( 3.261 0.762 5.788) 6.687 22.761 ( 11.167 4.647 -4.834) 13.025 23.577 ( 3.738 -10.419 -6.741) 12.960 23.874 ( -3.534 3.463 3.109) 5.843 ======================= Grid point 5 (6/432) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.053 -6.180 6.482) 9.189 2.799 ( 11.723 -13.281 14.725) 23.035 3.203 ( -3.599 5.406 -6.352) 9.084 3.379 ( -3.042 3.964 -2.372) 5.531 3.604 ( -1.040 6.286 -4.115) 7.585 4.441 ( 7.100 0.093 7.056) 10.010 4.686 ( 9.061 -0.746 -1.460) 9.208 5.084 ( -2.035 -1.570 9.618) 9.955 5.110 ( 8.541 -5.360 -10.171) 14.322 5.202 ( -3.460 3.295 -1.510) 5.011 5.424 ( -9.202 3.740 3.375) 10.491 6.082 ( 5.221 1.918 8.580) 10.226 6.398 ( -5.546 -6.961 -4.254) 9.864 6.491 ( 4.589 5.120 -0.292) 6.881 6.819 ( -2.433 1.816 -5.646) 6.411 8.097 ( 17.687 -5.548 -0.362) 18.541 8.400 ( -19.039 -0.396 0.235) 19.044 9.196 ( 0.325 3.118 0.209) 3.142 9.526 ( -1.225 1.201 -0.209) 1.728 10.333 ( 7.505 1.332 5.058) 9.147 10.822 ( 7.181 -14.772 3.965) 16.897 11.171 ( -12.985 15.157 -6.797) 21.084 12.192 ( 5.192 -5.981 0.436) 7.932 12.377 ( 1.445 -0.299 -0.345) 1.515 13.012 ( -5.718 -4.411 -0.194) 7.224 13.123 ( -0.425 4.234 -3.580) 5.561 13.924 ( 6.219 -3.686 11.451) 13.542 14.511 ( -7.565 3.903 -12.169) 14.851 18.047 ( -1.998 2.175 0.973) 3.109 18.902 ( 2.341 3.996 1.253) 4.798 19.094 ( -3.882 -3.490 0.929) 5.302 19.514 ( -2.940 0.148 -3.673) 4.707 21.559 ( 0.817 0.581 1.938) 2.182 22.798 ( 3.773 1.151 -1.627) 4.267 23.640 ( 3.218 -5.254 -3.033) 6.867 23.829 ( -3.034 2.905 2.090) 4.692 ======================= Grid point 12 (7/432) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.638 0.000 31.028) 31.140 0.839 ( 23.030 0.000 13.912) 26.906 2.182 ( 46.832 0.000 36.639) 59.461 3.569 ( -1.279 -0.000 2.334) 2.661 3.574 ( 6.810 0.000 -4.009) 7.903 3.773 ( -2.771 -0.000 5.661) 6.302 4.620 ( 4.726 0.000 -1.609) 4.993 4.675 ( -14.384 -0.000 14.657) 20.536 5.208 ( 7.936 0.000 -3.629) 8.727 5.595 ( 9.084 0.000 -7.573) 11.827 5.663 ( -3.383 -0.000 -9.210) 9.812 5.769 ( 1.888 0.000 0.611) 1.984 6.536 ( -9.767 -0.000 -1.716) 9.917 6.847 ( 10.550 0.000 -12.709) 16.517 7.129 ( 0.313 0.000 -2.192) 2.214 7.295 ( 9.995 0.000 1.386) 10.091 8.413 ( -6.384 -0.000 6.631) 9.205 9.384 ( -3.424 -0.000 -5.578) 6.545 9.762 ( 0.603 0.000 -3.413) 3.466 9.763 ( 1.299 0.000 4.531) 4.714 11.131 ( -4.532 -0.000 -3.443) 5.691 11.254 ( 34.434 0.000 -23.478) 41.677 11.758 ( -8.953 -0.000 21.419) 23.214 12.277 ( 0.775 0.000 -3.163) 3.257 12.770 ( 1.812 0.000 -10.406) 10.562 13.201 ( 2.554 0.000 11.270) 11.556 13.659 ( -4.339 -0.000 -3.137) 5.354 15.648 ( -10.918 -0.000 -13.351) 17.247 18.344 ( -48.155 -0.000 51.089) 70.207 18.841 ( 9.634 0.000 -2.198) 9.881 19.407 ( -12.777 -0.000 -7.073) 14.604 19.950 ( -4.952 -0.000 -0.819) 5.019 21.190 ( 4.456 0.000 8.795) 9.859 23.052 ( 29.420 0.000 -40.486) 50.047 23.140 ( 4.475 0.000 1.953) 4.883 23.892 ( 1.700 0.000 1.444) 2.231 ======================= Grid point 13 (8/432) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 3.766 -7.336 30.606) 31.698 1.377 ( 23.102 -13.539 15.035) 30.709 3.154 ( 41.407 -1.850 27.943) 49.988 3.556 ( 1.446 4.003 -3.362) 5.424 3.597 ( -0.920 1.044 4.900) 5.094 3.835 ( 2.287 1.148 4.827) 5.463 4.635 ( 4.765 2.911 -4.374) 7.093 4.686 ( -5.334 -2.188 10.576) 12.045 5.218 ( 7.456 -0.182 -14.842) 16.610 5.501 ( -3.777 0.603 -9.405) 10.153 5.682 ( 2.995 -1.511 6.867) 7.643 5.773 ( -0.984 3.668 3.530) 5.185 6.388 ( -9.195 -0.639 -0.909) 9.262 6.749 ( 7.508 18.603 -2.634) 20.233 7.170 ( -0.122 -10.166 -9.708) 14.057 7.434 ( 6.920 -8.920 -1.220) 11.355 8.431 ( -9.379 -5.799 8.633) 14.004 9.318 ( -4.379 -4.359 -1.570) 6.376 9.766 ( 5.195 3.808 -1.165) 6.546 9.792 ( 2.964 3.557 3.162) 5.606 10.958 ( -2.917 9.998 -5.903) 11.971 11.501 ( 22.106 -9.675 -8.737) 25.664 11.846 ( -8.425 9.606 19.499) 23.312 12.285 ( 3.689 -1.194 -1.836) 4.290 12.715 ( 0.234 -13.784 -12.067) 18.321 13.381 ( 2.991 -1.129 12.425) 12.830 13.544 ( -5.994 1.541 -4.133) 7.442 15.306 ( -13.129 1.382 -17.036) 21.552 18.279 ( -23.077 6.208 24.691) 34.362 18.962 ( 8.336 -2.792 -1.928) 9.000 19.143 ( -11.986 -0.036 -8.523) 14.707 19.846 ( -7.059 0.559 -3.784) 8.029 21.371 ( 4.214 1.072 12.659) 13.385 22.900 ( 17.296 11.221 -20.944) 29.389 23.291 ( 4.791 -13.297 -4.590) 14.860 23.924 ( -0.255 0.890 2.680) 2.835 ======================= Grid point 14 (9/432) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 5.883 -8.710 25.519) 27.599 1.975 ( 20.629 -16.347 16.900) 31.279 3.437 ( -1.066 7.448 -3.357) 8.239 3.548 ( -0.167 2.651 -2.174) 3.432 3.865 ( 0.295 3.500 -1.490) 3.815 4.010 ( 27.848 -0.796 25.008) 37.437 4.613 ( 7.965 2.806 -7.337) 11.187 4.829 ( 2.984 -4.994 9.988) 11.558 5.096 ( 3.553 -3.012 -18.723) 19.294 5.350 ( -3.817 0.288 -7.637) 8.542 5.650 ( -13.881 3.321 7.114) 15.947 5.927 ( 8.109 2.809 12.384) 15.067 6.301 ( -7.421 -5.546 -0.502) 9.278 6.684 ( 5.386 14.134 -0.129) 15.126 7.054 ( -2.838 1.901 -11.045) 11.561 7.616 ( 8.149 -16.814 -2.129) 18.805 8.432 ( -13.083 -7.155 6.231) 16.161 9.269 ( -5.962 -2.750 -0.819) 6.617 9.719 ( -0.086 10.366 1.036) 10.418 10.001 ( 17.424 -2.775 7.194) 19.054 10.775 ( -4.202 5.472 -5.969) 9.123 11.719 ( 8.885 9.528 -2.825) 13.331 11.842 ( -0.037 0.148 10.051) 10.053 12.332 ( 3.667 -0.679 -0.404) 3.751 12.740 ( -1.027 -20.053 -7.279) 21.358 13.384 ( -7.038 3.948 -4.646) 9.312 13.595 ( 5.061 -1.853 14.018) 15.018 14.917 ( -12.816 1.900 -17.938) 22.128 18.205 ( -10.697 6.375 9.219) 15.494 18.889 ( -16.749 -9.485 -3.364) 19.540 19.105 ( 15.544 6.531 -3.056) 17.135 19.679 ( -7.372 1.640 -6.251) 9.803 21.542 ( 1.854 3.797 12.514) 13.208 22.821 ( 11.339 2.621 -15.543) 19.417 23.402 ( 5.184 -9.259 -2.988) 11.024 23.928 ( -2.761 2.480 3.792) 5.306 ======================= Grid point 15 (10/432) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 6.134 -4.637 16.819) 18.493 2.550 ( 16.224 -15.074 17.297) 28.100 3.295 ( -4.871 5.769 -5.401) 9.283 3.450 ( -4.254 4.194 -3.380) 6.864 3.732 ( -4.512 7.318 -6.763) 10.938 4.447 ( 9.546 1.240 3.422) 10.216 4.698 ( 15.715 1.118 -1.709) 15.847 4.975 ( 5.836 -9.144 -14.339) 17.980 5.039 ( 0.453 -3.283 9.998) 10.533 5.221 ( -3.382 -0.287 -6.403) 7.247 5.508 ( -15.108 4.711 8.178) 17.813 6.115 ( 3.203 1.861 6.323) 7.328 6.272 ( -3.218 -6.469 1.051) 7.301 6.635 ( 1.677 10.445 1.108) 10.636 6.874 ( -2.989 4.452 -5.968) 8.022 7.879 ( 9.707 -19.247 0.573) 21.564 8.346 ( -13.960 -4.054 1.935) 14.665 9.201 ( -5.322 -1.333 -0.783) 5.542 9.641 ( 0.145 9.773 0.669) 9.797 10.353 ( 14.475 0.452 6.071) 15.703 10.669 ( 1.643 -4.526 -1.118) 4.943 11.503 ( -6.852 24.448 -1.779) 25.452 12.084 ( 12.711 -6.300 3.193) 14.542 12.371 ( 1.255 -0.495 0.430) 1.416 12.832 ( -2.522 -16.379 -0.299) 16.575 13.208 ( -5.034 4.913 -4.414) 8.304 13.861 ( 7.150 -3.513 12.908) 15.168 14.552 ( -10.685 1.250 -15.041) 18.493 18.110 ( -4.225 5.203 0.423) 6.716 18.765 ( -13.897 -12.806 -0.262) 18.900 19.207 ( 15.191 9.664 -3.641) 18.369 19.525 ( -3.466 0.735 -4.070) 5.396 21.626 ( -1.046 6.732 8.776) 11.110 22.782 ( 5.287 -2.885 -10.823) 12.386 23.519 ( 6.045 -7.400 -1.638) 9.694 23.900 ( -4.320 4.177 4.442) 7.472 ======================= Grid point 16 (11/432) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 3.371 5.104 4.218) 7.430 2.940 ( -1.458 0.970 -0.622) 1.858 3.112 ( -0.625 -3.181 1.872) 3.744 3.346 ( -2.036 0.383 -1.372) 2.485 3.561 ( -4.085 1.134 -3.219) 5.323 4.432 ( -2.739 -0.944 -9.437) 9.872 4.742 ( -4.255 5.979 -1.301) 7.453 5.029 ( 8.234 -10.544 -10.229) 16.841 5.126 ( 0.998 -2.294 -4.950) 5.547 5.143 ( -7.069 -1.101 6.844) 9.900 5.426 ( -2.177 2.894 5.047) 6.211 6.058 ( -4.862 -0.804 -7.995) 9.392 6.362 ( -1.777 -5.100 4.164) 6.819 6.593 ( 0.930 10.640 5.143) 11.854 6.819 ( 1.197 1.685 4.100) 4.592 8.061 ( -14.240 -10.214 2.453) 17.695 8.323 ( 12.186 -7.334 0.184) 14.223 9.138 ( -5.055 -2.034 -1.022) 5.544 9.585 ( 0.568 5.535 0.279) 5.571 10.336 ( -5.125 2.083 -7.705) 9.485 10.975 ( 17.841 -8.806 9.428) 22.016 11.175 ( -4.981 26.653 -2.097) 27.195 12.265 ( 4.882 2.503 2.683) 6.107 12.381 ( -1.255 0.105 0.966) 1.587 12.945 ( 0.496 -10.642 4.522) 11.574 13.113 ( 1.058 1.491 -1.888) 2.628 13.976 ( -2.866 2.362 -8.639) 9.404 14.424 ( 2.498 -6.091 7.934) 10.310 18.040 ( -0.283 1.297 -2.476) 2.810 18.710 ( -11.185 -13.700 -0.977) 17.712 19.242 ( 12.972 9.230 -6.114) 17.055 19.526 ( 4.980 1.439 3.134) 6.058 21.614 ( -2.844 7.019 4.115) 8.619 22.742 ( -1.881 -5.524 -6.705) 8.889 23.633 ( 4.538 -4.486 0.266) 6.386 23.858 ( -3.202 4.920 4.031) 7.121 ======================= Grid point 17 (12/432) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -1.184 15.792 -10.475) 18.987 2.582 ( -14.699 14.308 -11.920) 23.725 3.223 ( -0.868 -3.589 1.656) 4.047 3.401 ( 2.214 -5.343 0.819) 5.842 3.585 ( -0.400 -10.536 4.130) 11.323 4.145 ( -18.049 7.380 -15.792) 25.092 4.551 ( -12.855 0.093 -0.515) 12.865 4.965 ( 0.896 -0.155 -16.134) 16.159 5.159 ( -7.025 -1.795 10.291) 12.588 5.208 ( 6.833 -10.368 -0.865) 12.448 5.469 ( 3.597 -1.297 -1.095) 3.978 5.903 ( -3.098 1.555 -7.804) 8.539 6.329 ( -12.805 -5.883 -0.113) 14.093 6.595 ( 3.327 8.518 3.290) 9.718 6.964 ( 5.182 -1.089 11.753) 12.891 7.906 ( -15.073 0.084 2.923) 15.354 8.617 ( 16.329 -7.464 0.539) 17.962 9.088 ( -4.880 -6.279 -1.388) 8.072 9.574 ( 0.704 0.172 0.343) 0.802 10.104 ( -9.333 2.367 -11.677) 15.134 10.911 ( -2.267 23.142 1.570) 23.306 11.359 ( 16.386 -5.913 5.291) 18.205 12.220 ( -3.765 12.263 1.277) 12.891 12.360 ( -3.624 0.690 1.984) 4.189 13.124 ( -0.051 -6.580 4.297) 7.859 13.177 ( 11.508 -0.501 5.825) 12.908 13.700 ( -7.226 3.996 -16.072) 18.069 14.744 ( 9.512 -8.753 16.385) 20.870 18.009 ( 2.080 -3.984 -8.435) 9.558 18.696 ( -7.347 -12.191 2.373) 14.430 19.294 ( 16.627 8.349 -5.291) 19.343 19.657 ( 7.853 1.816 6.576) 10.403 21.535 ( -4.738 5.638 -0.256) 7.369 22.662 ( -9.676 -7.255 -3.560) 12.607 23.702 ( -0.130 2.592 5.437) 6.025 23.845 ( 1.623 1.797 0.660) 2.510 ======================= Grid point 18 (13/432) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -3.373 20.972 -19.913) 29.116 2.126 ( -15.465 20.359 -8.074) 26.812 3.269 ( -2.425 -4.401 0.260) 5.032 3.433 ( -13.897 -1.048 -4.154) 14.543 3.503 ( -11.110 5.306 -20.184) 23.643 3.702 ( -4.151 -4.675 -0.013) 6.251 4.462 ( -9.578 -5.514 5.434) 12.316 4.771 ( 1.466 -0.206 -17.949) 18.010 5.208 ( -7.902 -2.538 9.629) 12.712 5.379 ( 4.304 -9.632 1.796) 10.701 5.497 ( -0.647 -6.313 -2.347) 6.766 5.798 ( 2.543 3.972 -4.798) 6.728 6.167 ( -18.290 -7.724 -1.332) 19.899 6.611 ( 3.803 4.561 1.319) 6.083 7.171 ( 3.297 -1.972 9.581) 10.322 7.787 ( -7.828 4.458 6.587) 11.160 8.792 ( 8.621 6.394 -0.366) 10.739 9.135 ( 1.033 -18.446 -3.066) 18.728 9.601 ( -0.082 -3.603 1.060) 3.757 9.837 ( -7.401 4.416 -8.274) 11.947 10.740 ( -4.172 14.437 1.688) 15.122 11.597 ( 11.401 -1.697 -1.508) 11.624 12.046 ( -5.334 16.030 0.593) 16.905 12.332 ( -3.467 1.455 3.206) 4.941 13.185 ( -2.192 4.944 6.207) 8.232 13.383 ( -0.507 -3.463 -2.625) 4.375 13.488 ( 9.972 1.366 -1.595) 10.191 15.140 ( 10.267 -9.077 16.319) 21.310 17.932 ( 2.105 -10.267 -20.590) 23.104 18.807 ( 0.691 -7.846 9.835) 12.600 19.402 ( 19.805 9.549 -4.544) 22.452 19.836 ( 8.580 1.041 7.357) 11.350 21.388 ( -7.875 4.375 -3.740) 9.754 22.528 ( -17.805 -9.946 -1.490) 20.449 23.741 ( -0.161 8.601 11.135) 14.071 23.867 ( 2.703 -0.653 -1.841) 3.335 ======================= Grid point 19 (14/432) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.392 23.397 -20.782) 31.385 1.643 ( -16.001 24.686 -8.391) 30.592 2.568 ( -34.065 25.702 -24.831) 49.373 3.396 ( -2.577 -8.646 2.877) 9.470 3.509 ( 4.309 -7.491 -3.506) 9.326 3.663 ( -3.225 -2.863 -3.485) 5.544 4.474 ( -5.011 -6.932 2.617) 8.945 4.640 ( 4.800 -2.672 -13.383) 14.466 5.190 ( -8.585 -1.724 4.146) 9.688 5.463 ( -9.261 -8.822 2.989) 13.135 5.547 ( -1.172 -8.058 3.854) 9.009 5.787 ( 4.118 3.550 -2.024) 5.802 5.993 ( -14.993 -12.991 -4.069) 20.251 6.650 ( 4.249 1.906 0.826) 4.729 7.246 ( -4.850 -1.147 1.954) 5.353 7.804 ( 2.900 8.442 11.514) 14.569 8.797 ( 4.960 11.758 3.083) 13.129 9.282 ( 2.930 -21.349 -7.774) 22.908 9.659 ( -0.571 -6.017 2.366) 6.490 9.686 ( -2.368 5.044 0.583) 5.603 10.573 ( -11.635 3.309 -0.797) 12.123 11.641 ( 5.477 3.723 -8.221) 10.557 11.844 ( -4.742 17.586 0.485) 18.221 12.326 ( -1.545 1.490 3.555) 4.152 13.069 ( -5.924 4.443 -3.560) 8.216 13.439 ( 4.305 -2.168 7.119) 8.598 13.694 ( 12.231 6.976 9.891) 17.208 15.520 ( 8.938 -8.703 14.580) 19.189 17.761 ( 2.516 -16.543 -34.141) 38.021 19.044 ( 12.227 -0.322 9.523) 15.501 19.537 ( 19.187 8.884 -2.780) 21.325 20.008 ( 8.035 2.827 5.361) 10.064 21.189 ( -10.254 2.303 -3.898) 11.209 22.325 ( -27.503 -14.166 -0.764) 30.947 23.828 ( 3.817 11.809 14.676) 19.220 23.876 ( 0.090 -0.847 -0.229) 0.882 ======================= Grid point 20 (15/432) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.890 25.981 -15.938) 30.493 1.076 ( -21.465 21.885 -16.380) 34.757 1.636 ( -24.356 42.913 -16.003) 51.873 3.423 ( -3.743 -6.497 -0.211) 7.501 3.594 ( 1.062 -0.361 0.660) 1.301 3.649 ( 2.129 -8.968 -2.387) 9.521 4.513 ( 2.726 -5.791 -2.363) 6.823 4.596 ( 3.867 -3.058 -9.978) 11.129 5.165 ( -7.943 -4.843 6.241) 11.202 5.405 ( -20.237 -7.635 9.349) 23.563 5.582 ( -6.786 -9.277 -5.703) 12.831 5.768 ( -1.688 -2.501 0.523) 3.062 5.922 ( -2.913 -7.858 -6.248) 10.453 6.698 ( 3.259 0.698 0.348) 3.351 7.147 ( -7.196 1.626 -1.961) 7.634 7.954 ( 8.777 8.609 11.660) 16.944 8.870 ( 12.015 14.143 13.225) 22.788 9.382 ( 0.755 -20.315 -7.740) 21.752 9.662 ( -0.599 3.421 3.731) 5.097 9.747 ( 0.706 -4.541 3.089) 5.537 10.336 ( -26.005 -9.526 -4.926) 28.129 11.510 ( 0.839 9.018 -10.506) 13.871 11.648 ( -2.801 17.624 0.029) 17.845 12.343 ( -0.145 0.657 2.379) 2.472 12.957 ( -2.456 0.791 -2.489) 3.585 13.619 ( 3.602 -4.371 7.239) 9.191 13.951 ( 16.136 17.420 25.963) 35.183 15.843 ( 6.368 -6.507 13.624) 16.387 17.460 ( 2.350 -21.071 -53.850) 57.873 19.341 ( 27.841 6.795 2.254) 28.746 19.670 ( 14.777 6.950 -2.041) 16.457 20.092 ( 4.433 6.377 1.262) 7.868 21.039 ( -7.699 -0.798 0.772) 7.779 22.010 ( -41.590 -17.720 -0.815) 45.215 23.859 ( 0.665 0.943 -1.355) 1.779 24.012 ( 5.015 10.626 22.188) 25.107 ======================= Grid point 21 (16/432) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 26.734 0.000) 26.734 0.500 ( 0.000 29.530 0.000) 29.530 0.962 ( 0.000 56.665 0.000) 56.665 3.438 ( -0.000 -4.411 -0.000) 4.411 3.598 ( 0.000 0.530 0.000) 0.530 3.733 ( -0.000 -7.691 -0.000) 7.691 4.568 ( -0.000 -1.168 -0.000) 1.168 4.574 ( -0.000 -4.111 -0.000) 4.111 5.105 ( -0.000 -3.032 -0.000) 3.032 5.420 ( -0.000 -2.387 -0.000) 2.387 5.441 ( -0.000 -4.648 -0.000) 4.648 5.794 ( -0.000 -4.007 -0.000) 4.007 5.880 ( 0.000 1.242 0.000) 1.242 6.718 ( 0.000 0.505 0.000) 0.505 7.061 ( 0.000 2.042 0.000) 2.042 8.072 ( 0.000 2.465 0.000) 2.465 9.209 ( -0.000 -2.882 -0.000) 2.882 9.492 ( -0.000 -16.957 -0.000) 16.957 9.654 ( 0.000 6.420 0.000) 6.420 9.864 ( -0.000 -16.597 -0.000) 16.597 9.886 ( 0.000 11.686 0.000) 11.686 11.338 ( 0.000 11.967 0.000) 11.967 11.491 ( 0.000 14.897 0.000) 14.897 12.354 ( 0.000 0.212 0.000) 0.212 12.926 ( -0.000 -0.129 -0.000) 0.129 13.720 ( -0.000 -4.334 -0.000) 4.334 14.380 ( -0.000 -2.277 -0.000) 2.277 16.125 ( -0.000 -9.187 -0.000) 9.187 16.972 ( 0.000 1.278 0.000) 1.278 19.619 ( -0.000 -2.402 -0.000) 2.402 19.746 ( 0.000 5.195 0.000) 5.195 20.064 ( 0.000 5.946 0.000) 5.946 21.023 ( -0.000 -0.849 -0.000) 0.849 21.618 ( -0.000 -2.039 -0.000) 2.039 23.847 ( 0.000 0.679 0.000) 0.679 24.230 ( -0.000 -0.393 -0.000) 0.393 ======================= Grid point 24 (17/432) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.918 0.000 31.016) 31.403 1.822 ( 24.715 0.000 16.091) 29.491 3.518 ( -3.010 -0.000 -3.912) 4.936 3.562 ( 3.430 0.000 -3.048) 4.589 3.888 ( -0.255 -0.000 -0.011) 0.256 4.006 ( 29.098 0.000 26.045) 39.051 4.643 ( 4.163 0.000 -5.825) 7.160 4.782 ( 3.717 0.000 9.476) 10.179 5.065 ( 5.493 0.000 -23.263) 23.902 5.350 ( -4.294 -0.000 -7.813) 8.916 5.674 ( -12.956 -0.000 7.313) 14.878 5.957 ( 7.671 0.000 12.277) 14.477 6.251 ( -9.326 -0.000 0.442) 9.337 6.866 ( 2.891 0.000 -4.859) 5.654 7.051 ( 0.218 0.000 -4.233) 4.239 7.423 ( 3.985 0.000 -2.984) 4.978 8.371 ( -10.748 -0.000 6.702) 12.667 9.239 ( -5.627 -0.000 1.112) 5.736 9.823 ( -1.358 -0.000 1.073) 1.731 9.971 ( 19.054 0.000 4.494) 19.577 10.826 ( -8.357 -0.000 -7.317) 11.108 11.704 ( 22.233 0.000 -1.989) 22.322 12.019 ( -8.355 -0.000 19.709) 21.407 12.326 ( 4.231 0.000 -0.263) 4.239 12.488 ( -0.075 -0.000 -14.975) 14.975 13.418 ( -6.801 -0.000 -4.402) 8.102 13.578 ( 4.546 0.000 13.813) 14.541 14.932 ( -13.337 -0.000 -18.200) 22.564 18.270 ( -13.333 -0.000 11.849) 17.837 18.792 ( -14.300 -0.000 -7.421) 16.111 19.166 ( 16.067 0.000 -3.767) 16.502 19.694 ( -7.737 -0.000 -6.143) 9.879 21.582 ( 1.142 0.000 16.075) 16.116 22.845 ( 10.951 0.000 -22.991) 25.466 23.315 ( 6.276 0.000 1.084) 6.369 23.949 ( -2.440 -0.000 3.936) 4.631 ======================= Grid point 25 (18/432) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 6.276 -1.154 25.233) 26.028 2.348 ( 21.550 -7.319 16.288) 27.987 3.379 ( -7.204 3.276 -6.076) 9.977 3.508 ( -2.976 2.181 -4.412) 5.751 3.809 ( -6.350 1.741 -5.246) 8.418 4.501 ( 13.542 4.792 1.988) 14.502 4.669 ( 11.726 -4.951 -2.705) 13.013 4.874 ( 8.518 -1.925 -16.939) 19.058 4.992 ( 2.676 -1.798 9.773) 10.291 5.209 ( -5.202 -0.679 -6.632) 8.456 5.562 ( -16.326 1.648 8.764) 18.602 6.142 ( -2.002 1.378 1.801) 3.025 6.192 ( 1.696 -2.980 6.013) 6.922 6.794 ( -2.357 6.061 0.295) 6.510 6.968 ( -2.670 6.453 -2.944) 7.579 7.551 ( 6.269 -15.603 1.322) 16.867 8.295 ( -9.734 -1.660 2.196) 10.116 9.183 ( -5.930 -0.623 1.535) 6.157 9.773 ( -3.304 4.650 -0.737) 5.752 10.350 ( 23.597 -0.408 9.001) 25.259 10.633 ( -6.097 -0.689 -7.699) 9.845 11.944 ( 4.884 22.017 0.960) 22.573 12.014 ( 8.015 2.562 8.986) 12.310 12.352 ( -2.232 -3.861 1.878) 4.839 12.496 ( 3.523 -20.204 -5.218) 21.162 13.270 ( -6.610 2.148 -4.094) 8.066 13.816 ( 6.536 -1.530 13.581) 15.149 14.561 ( -11.906 0.136 -16.616) 20.442 18.202 ( -6.245 4.604 1.532) 7.908 18.579 ( -12.089 -7.604 -4.064) 14.848 19.331 ( 17.009 4.413 -3.277) 17.875 19.527 ( -5.214 -0.317 -6.086) 8.021 21.739 ( -2.625 4.857 15.178) 16.151 22.723 ( 6.742 -2.922 -19.446) 20.788 23.427 ( 6.907 -2.962 0.966) 7.577 23.950 ( -4.199 1.591 4.924) 6.664 ======================= Grid point 26 (19/432) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 6.065 3.085 13.855) 15.436 2.839 ( 14.520 -8.113 14.216) 21.880 3.139 ( -11.008 3.346 -9.035) 14.629 3.374 ( -5.339 2.362 -4.460) 7.347 3.602 ( -9.335 2.241 -7.359) 12.096 4.432 ( 0.827 1.833 -13.228) 13.380 4.814 ( 7.239 -13.011 -8.728) 17.259 4.866 ( 1.108 7.958 -3.469) 8.752 5.081 ( 1.773 -3.008 -7.604) 8.367 5.115 ( -9.101 -2.267 8.168) 12.438 5.474 ( -6.165 2.283 6.593) 9.310 6.055 ( -3.353 0.262 -6.188) 7.043 6.291 ( -2.948 -3.210 3.345) 5.494 6.766 ( -0.593 8.918 8.170) 12.109 6.868 ( -1.820 4.099 1.940) 4.887 7.799 ( 1.005 -17.305 4.787) 17.983 8.231 ( -1.549 -3.549 -0.704) 3.935 9.129 ( -5.600 0.319 1.732) 5.870 9.658 ( -5.543 2.793 -2.830) 6.822 10.397 ( -3.875 4.415 -9.601) 11.255 10.855 ( 22.426 -5.673 10.006) 25.204 11.679 ( -2.859 32.117 1.412) 32.275 12.282 ( 13.213 -0.050 4.659) 14.010 12.376 ( -1.920 -1.158 2.881) 3.651 12.686 ( 1.036 -19.832 2.628) 20.032 13.145 ( -2.319 2.076 -2.319) 3.881 13.999 ( 1.365 0.530 -3.910) 4.175 14.329 ( -3.138 -4.548 2.121) 5.919 18.084 ( -2.782 3.670 -4.639) 6.537 18.500 ( -8.393 -10.560 -0.988) 13.526 19.366 ( 5.928 5.542 -5.381) 9.737 19.546 ( 11.292 0.487 -0.044) 11.303 21.769 ( -5.251 10.077 10.058) 15.175 22.623 ( 0.974 -7.879 -15.016) 16.985 23.559 ( 6.668 -3.551 1.433) 7.689 23.932 ( -4.337 3.319 5.522) 7.766 ======================= Grid point 27 (20/432) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 2.200 12.566 -3.331) 13.185 2.765 ( -14.763 7.888 -9.281) 19.139 3.179 ( -0.035 -2.195 3.568) 4.189 3.308 ( 2.120 -5.455 1.415) 6.021 3.436 ( -5.571 -6.648 -3.342) 9.295 4.250 ( -7.487 4.058 -8.785) 12.236 4.606 ( -15.112 7.057 -7.901) 18.456 4.887 ( 3.828 -9.091 -14.004) 17.130 5.038 ( -2.290 -6.985 -2.286) 7.698 5.108 ( -4.736 -4.614 4.036) 7.746 5.489 ( 0.788 2.289 1.887) 3.069 5.936 ( -0.746 2.137 -6.873) 7.236 6.244 ( -12.321 -4.199 0.807) 13.042 6.727 ( -3.435 6.841 3.240) 8.312 6.971 ( 5.939 1.618 10.867) 12.490 7.873 ( -8.927 -3.114 4.754) 10.582 8.385 ( 10.988 -16.076 -0.278) 19.475 9.066 ( -6.000 1.498 1.609) 6.391 9.545 ( -6.319 -3.207 -2.898) 7.656 10.169 ( -4.549 5.090 -12.966) 14.653 11.274 ( 18.554 -2.641 7.745) 20.278 11.413 ( 0.829 32.652 3.084) 32.808 12.367 ( -3.411 0.422 3.431) 4.856 12.398 ( 1.667 8.268 1.717) 8.607 12.908 ( 1.446 -16.957 5.250) 17.809 13.184 ( 9.225 -0.530 3.888) 10.025 13.761 ( -7.372 3.071 -16.978) 18.763 14.585 ( 7.857 -9.329 15.621) 19.819 17.962 ( -2.103 -1.745 -10.912) 11.249 18.518 ( -2.994 -8.552 4.612) 10.167 19.395 ( 11.758 4.116 -2.170) 12.645 19.699 ( 11.930 2.426 1.956) 12.330 21.679 ( -6.558 11.087 3.594) 13.374 22.517 ( -6.765 -10.021 -10.624) 16.095 23.683 ( 4.836 -2.574 2.490) 6.018 23.917 ( -2.268 4.654 5.418) 7.494 ======================= Grid point 28 (21/432) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -2.947 19.487 -16.198) 25.511 2.398 ( -14.851 12.456 -7.067) 20.631 3.172 ( -2.517 -5.757 -0.271) 6.289 3.320 ( -5.322 -8.935 -3.745) 11.054 3.529 ( 2.409 -5.663 -0.547) 6.179 3.848 ( -19.195 19.925 -11.137) 29.825 4.376 ( -10.554 -4.682 0.874) 11.579 4.736 ( 0.149 -3.393 -19.209) 19.507 5.087 ( -10.717 -11.735 7.508) 17.577 5.199 ( 5.081 -10.244 -1.265) 11.504 5.464 ( -2.518 1.095 -1.496) 3.127 5.860 ( 2.985 3.310 -4.594) 6.401 6.074 ( -17.472 -3.795 -1.637) 17.954 6.676 ( -2.373 2.853 1.995) 4.213 7.160 ( 5.287 0.873 8.782) 10.287 7.837 ( -5.179 2.562 7.337) 9.339 8.669 ( 10.826 -19.308 -3.263) 22.375 8.991 ( -6.599 1.127 2.017) 6.992 9.488 ( -6.953 -8.841 -1.011) 11.293 9.921 ( -2.896 5.909 -12.279) 13.931 11.170 ( 0.080 33.179 3.503) 33.364 11.579 ( 14.459 -0.621 2.034) 14.615 12.285 ( -4.424 11.168 -0.316) 12.017 12.360 ( -3.139 2.851 4.259) 6.010 13.105 ( 0.594 -12.569 5.753) 13.836 13.395 ( 0.016 3.119 -1.521) 3.470 13.497 ( 8.237 -0.290 -4.292) 9.293 14.962 ( 8.792 -11.530 14.874) 20.772 17.789 ( -3.532 -6.682 -18.972) 20.423 18.694 ( 5.531 -5.464 12.646) 14.845 19.530 ( 17.522 5.882 -1.570) 18.550 19.863 ( 10.485 1.719 4.672) 11.607 21.503 ( -8.792 9.342 -1.864) 12.963 22.359 ( -14.844 -10.521 -7.759) 19.780 23.785 ( 2.794 -1.239 4.095) 5.110 23.924 ( 0.769 5.641 5.039) 7.603 ======================= Grid point 29 (22/432) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -3.099 22.899 -16.525) 28.409 1.973 ( -17.043 15.992 -11.579) 26.083 3.058 ( -23.118 27.124 -9.622) 36.915 3.232 ( -1.666 -10.675 1.685) 10.935 3.368 ( 1.317 -5.386 -9.705) 11.177 3.628 ( -1.363 -1.654 -0.647) 2.239 4.352 ( -5.946 -7.596 2.213) 9.897 4.588 ( 2.141 -3.133 -12.249) 12.824 5.099 ( -14.002 -10.595 5.113) 18.288 5.312 ( 0.881 -9.294 -2.710) 9.721 5.410 ( -6.542 -6.378 0.984) 9.189 5.846 ( -5.954 0.492 -4.846) 7.692 5.858 ( -3.225 -1.456 -1.708) 3.929 6.668 ( -0.235 0.091 1.722) 1.740 7.250 ( -1.074 1.926 3.213) 3.897 7.897 ( 2.502 3.647 10.582) 11.469 8.884 ( 8.404 -13.048 -5.501) 16.466 8.943 ( -5.605 -5.766 1.728) 8.225 9.483 ( -8.343 -13.192 1.269) 15.660 9.744 ( -0.009 3.915 -7.217) 8.211 10.914 ( -1.838 32.115 0.984) 32.183 11.707 ( 8.292 3.720 -3.205) 9.637 12.115 ( -4.297 14.169 -0.207) 14.808 12.351 ( -2.312 1.597 3.530) 4.511 13.136 ( -6.472 3.553 -7.417) 10.466 13.316 ( 2.178 -11.016 3.833) 11.865 13.780 ( 15.028 2.395 12.034) 19.401 15.333 ( 7.431 -13.236 12.795) 19.852 17.549 ( -4.110 -8.930 -25.319) 27.161 19.017 ( 13.455 -2.100 14.922) 20.202 19.686 ( 18.591 8.397 -2.531) 20.556 20.051 ( 10.190 1.842 6.579) 12.268 21.263 ( -11.726 6.471 -4.244) 14.050 22.123 ( -22.370 -10.745 -6.891) 25.756 23.860 ( 1.239 -0.997 1.530) 2.207 23.975 ( 3.537 6.377 9.139) 11.692 ======================= Grid point 30 (23/432) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -1.636 25.541 -11.844) 28.201 1.409 ( -20.108 19.546 -16.690) 32.633 2.404 ( -13.105 45.704 -4.539) 47.762 3.285 ( -3.728 -9.881 -0.838) 10.594 3.432 ( 2.939 -14.073 -2.438) 14.581 3.615 ( 0.056 0.398 -0.727) 0.831 4.397 ( 4.010 -7.508 -2.536) 8.881 4.544 ( -1.126 -3.142 -3.007) 4.493 5.038 ( -13.211 -10.306 1.868) 16.859 5.305 ( -10.638 -4.852 5.750) 13.030 5.407 ( -4.462 -11.625 -6.070) 13.853 5.702 ( -3.580 -4.284 -4.135) 6.948 5.893 ( 4.170 1.510 -0.462) 4.459 6.697 ( 0.959 -1.014 1.117) 1.788 7.194 ( -4.315 4.267 -0.250) 6.073 8.048 ( 6.102 3.468 8.365) 10.920 8.979 ( -2.419 -1.268 12.615) 12.907 9.026 ( 7.014 -19.108 -11.757) 23.507 9.509 ( -8.909 -17.187 -0.126) 19.359 9.683 ( 0.082 -0.049 -2.032) 2.034 10.604 ( -3.753 31.943 -1.775) 32.212 11.671 ( 2.934 9.152 -5.166) 10.911 11.940 ( -2.780 16.250 0.024) 16.486 12.354 ( -0.927 0.614 2.073) 2.353 12.977 ( -2.982 1.716 -4.311) 5.516 13.491 ( 2.044 -10.354 4.127) 11.332 14.095 ( 12.185 2.446 15.439) 19.819 15.662 ( 4.845 -14.450 10.372) 18.435 17.250 ( -3.954 -6.465 -28.428) 29.421 19.380 ( 16.659 0.169 10.583) 19.737 19.804 ( 15.031 8.205 -3.186) 17.418 20.208 ( 7.988 6.848 3.923) 11.229 21.043 ( -9.912 1.481 -0.481) 10.033 21.804 ( -26.361 -9.211 -6.806) 28.742 23.872 ( 0.297 0.672 -0.428) 0.850 24.112 ( 4.414 3.092 10.775) 12.048 ======================= Grid point 31 (24/432) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 26.198 0.000) 26.198 0.981 ( 0.000 27.847 0.000) 27.847 1.879 ( 0.000 52.633 0.000) 52.633 3.329 ( -0.000 -8.549 -0.000) 8.549 3.555 ( -0.000 -13.163 -0.000) 13.163 3.609 ( 0.000 0.681 0.000) 0.681 4.486 ( -0.000 -5.911 -0.000) 5.911 4.534 ( -0.000 -2.942 -0.000) 2.942 5.014 ( -0.000 -8.061 -0.000) 8.061 5.341 ( -0.000 -6.972 -0.000) 6.972 5.358 ( -0.000 -5.078 -0.000) 5.078 5.711 ( -0.000 -5.602 -0.000) 5.602 5.904 ( 0.000 1.747 0.000) 1.747 6.720 ( -0.000 -0.598 -0.000) 0.598 7.115 ( 0.000 4.611 0.000) 4.611 8.123 ( 0.000 3.146 0.000) 3.146 9.151 ( -0.000 -21.964 -0.000) 21.964 9.151 ( -0.000 -4.397 -0.000) 4.397 9.555 ( -0.000 -18.603 -0.000) 18.603 9.676 ( -0.000 -0.950 -0.000) 0.950 10.278 ( 0.000 32.006 0.000) 32.006 11.556 ( 0.000 12.764 0.000) 12.764 11.778 ( 0.000 17.701 0.000) 17.701 12.358 ( 0.000 0.243 0.000) 0.243 12.927 ( 0.000 0.413 0.000) 0.413 13.611 ( -0.000 -8.713 -0.000) 8.713 14.328 ( -0.000 -3.866 -0.000) 3.866 15.910 ( -0.000 -15.987 -0.000) 15.987 17.002 ( 0.000 2.143 0.000) 2.143 19.589 ( -0.000 -1.321 -0.000) 1.321 19.843 ( 0.000 6.208 0.000) 6.208 20.201 ( 0.000 9.959 0.000) 9.959 21.002 ( -0.000 -1.627 -0.000) 1.627 21.569 ( -0.000 -3.740 -0.000) 3.740 23.862 ( 0.000 1.073 0.000) 1.073 24.220 ( -0.000 -0.683 -0.000) 0.683 ======================= Grid point 36 (25/432) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 5.749 0.000 18.503) 19.376 2.761 ( 18.581 0.000 14.297) 23.445 3.172 ( -12.225 -0.000 -9.340) 15.385 3.400 ( -5.652 -0.000 -6.217) 8.402 3.618 ( -11.829 -0.000 -7.701) 14.115 4.474 ( 1.186 0.000 -18.738) 18.776 4.672 ( 7.214 0.000 -3.976) 8.237 4.960 ( 12.373 0.000 -6.668) 14.055 5.039 ( -8.156 -0.000 -7.445) 11.043 5.088 ( -8.919 -0.000 10.496) 13.774 5.494 ( -6.932 -0.000 6.720) 9.654 6.059 ( -2.496 -0.000 -5.313) 5.870 6.263 ( -3.408 -0.000 2.796) 4.408 6.839 ( 0.664 0.000 8.625) 8.650 6.929 ( -8.144 -0.000 1.317) 8.250 7.622 ( 8.641 0.000 5.802) 10.408 8.201 ( -4.948 -0.000 -0.751) 5.005 9.133 ( -5.611 -0.000 2.980) 6.354 9.680 ( -8.539 -0.000 -4.416) 9.613 10.443 ( -4.822 -0.000 -10.548) 11.598 10.801 ( 25.611 0.000 10.591) 27.714 12.161 ( -2.667 -0.000 -3.450) 4.361 12.218 ( -1.755 -0.000 11.364) 11.499 12.289 ( 12.174 0.000 9.816) 15.639 12.450 ( 6.052 0.000 -4.209) 7.372 13.166 ( -3.926 -0.000 -2.421) 4.613 14.001 ( 3.335 0.000 -0.741) 3.417 14.289 ( -5.760 -0.000 -1.438) 5.937 18.129 ( -4.645 -0.000 -6.650) 8.111 18.398 ( -6.155 -0.000 0.268) 6.161 19.418 ( -0.553 -0.000 -3.550) 3.593 19.545 ( 17.089 0.000 -2.642) 17.292 21.874 ( -7.313 -0.000 14.784) 16.494 22.538 ( 3.400 0.000 -20.807) 21.083 23.528 ( 7.114 0.000 2.183) 7.441 23.961 ( -4.484 -0.000 5.775) 7.311 ======================= Grid point 37 (26/432) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 4.309 5.215 3.849) 7.784 2.852 ( -15.407 2.508 -8.794) 17.917 3.143 ( 11.117 -1.703 9.607) 14.792 3.243 ( -5.310 -1.756 -4.949) 7.468 3.363 ( -12.343 -2.312 -8.838) 15.355 4.286 ( -2.926 0.836 -9.188) 9.679 4.730 ( -0.238 -0.526 -7.328) 7.350 4.774 ( -7.278 4.337 -7.303) 11.186 4.933 ( -8.335 -6.433 -6.439) 12.342 5.041 ( -5.788 -2.553 0.563) 6.351 5.520 ( 0.858 1.074 1.972) 2.404 5.965 ( 0.557 1.088 -7.346) 7.447 6.192 ( -12.136 -1.752 2.145) 12.448 6.811 ( -9.642 2.872 2.276) 10.315 7.000 ( 6.055 1.245 10.743) 12.394 7.829 ( 5.742 -1.568 7.365) 9.470 8.174 ( 0.539 -7.373 -1.463) 7.536 9.094 ( -5.722 1.232 3.352) 6.745 9.495 ( -10.497 -1.985 -5.690) 12.104 10.241 ( -3.527 2.669 -13.250) 13.969 11.233 ( 21.938 -1.404 8.408) 23.536 11.968 ( 0.084 30.427 4.690) 30.787 12.358 ( -4.168 -3.059 6.414) 8.238 12.490 ( 6.516 1.843 1.874) 7.027 12.576 ( 2.406 -19.295 2.870) 19.655 13.174 ( 7.288 -0.313 3.267) 7.993 13.797 ( -7.258 1.056 -17.626) 19.091 14.465 ( 6.966 -4.126 15.314) 17.322 17.945 ( -5.121 -0.371 -13.286) 14.243 18.420 ( 0.587 -3.056 7.114) 7.764 19.441 ( 7.418 1.446 1.380) 7.682 19.725 ( 15.004 0.670 -1.991) 15.150 21.865 ( -10.018 8.827 9.174) 16.200 22.351 ( -2.197 -7.946 -18.647) 20.388 23.650 ( 6.064 -1.124 2.813) 6.778 23.972 ( -3.018 1.711 6.172) 7.080 ======================= Grid point 38 (27/432) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -3.396 14.823 -12.391) 19.616 2.551 ( -11.915 5.696 -6.938) 14.918 3.091 ( -6.087 -3.685 -3.614) 7.981 3.166 ( -9.259 -8.608 -7.571) 14.736 3.438 ( 7.721 -4.312 6.229) 10.817 4.149 ( -9.484 10.096 -0.565) 13.863 4.347 ( -15.025 5.802 -10.208) 19.068 4.689 ( 0.491 -1.492 -15.328) 15.408 4.873 ( -12.289 -12.926 4.829) 18.478 5.035 ( 0.832 -8.886 -3.066) 9.437 5.494 ( -2.900 1.760 -2.648) 4.303 5.905 ( 3.429 1.934 -5.136) 6.471 6.029 ( -16.196 -1.719 -0.686) 16.302 6.705 ( -7.490 0.836 1.837) 7.757 7.193 ( 7.070 2.443 9.177) 11.839 7.903 ( -0.645 6.041 6.369) 8.802 8.335 ( 7.042 -18.865 -1.954) 20.231 9.032 ( -6.737 2.897 2.984) 7.917 9.346 ( -9.623 -7.205 -3.469) 12.512 10.014 ( -2.193 4.513 -13.617) 14.511 11.563 ( 16.168 0.149 4.139) 16.690 11.765 ( 1.457 34.598 5.120) 35.005 12.355 ( -4.399 1.053 2.994) 5.425 12.479 ( -2.322 7.175 0.413) 7.553 12.817 ( 0.809 -21.554 4.821) 22.102 13.424 ( 12.320 0.081 7.391) 14.367 13.496 ( -3.204 0.490 -14.014) 14.384 14.786 ( 7.931 -8.421 13.448) 17.739 17.709 ( -6.013 -3.000 -17.389) 18.642 18.627 ( 8.254 -2.651 14.429) 16.834 19.605 ( 14.448 3.132 4.357) 15.412 19.882 ( 12.242 0.448 -0.102) 12.251 21.688 ( -10.371 12.154 -0.693) 15.992 22.173 ( -10.814 -11.558 -12.854) 20.390 23.761 ( 4.186 -1.206 3.124) 5.361 24.000 ( -0.342 3.116 6.046) 6.810 ======================= Grid point 39 (28/432) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -4.293 19.160 -12.784) 23.430 2.207 ( -13.283 12.366 -12.287) 21.916 3.052 ( -2.512 -10.425 -2.707) 11.060 3.084 ( -7.318 -11.503 -3.884) 14.176 3.574 ( 4.210 2.067 1.285) 4.863 3.703 ( -16.058 25.594 -7.869) 31.223 4.225 ( -4.879 -7.357 -0.263) 8.832 4.555 ( 1.982 -0.405 -10.259) 10.457 4.869 ( -17.298 -15.207 6.691) 23.984 5.117 ( 3.090 -13.122 -5.002) 14.379 5.368 ( -8.639 -0.143 -3.465) 9.309 5.809 ( -13.729 -1.212 -3.773) 14.290 5.903 ( 5.352 2.414 -2.855) 6.528 6.654 ( -4.069 -1.561 1.845) 4.733 7.314 ( 3.103 5.516 4.888) 7.997 7.944 ( 0.996 2.382 8.328) 8.720 8.549 ( 7.386 -19.378 -6.413) 21.706 8.961 ( -6.556 1.755 4.315) 8.042 9.278 ( -9.401 -10.668 -0.759) 14.240 9.819 ( 0.032 4.422 -10.549) 11.438 11.516 ( 0.908 37.638 3.133) 37.779 11.757 ( 9.838 2.236 -0.014) 10.089 12.293 ( -4.369 6.097 0.577) 7.523 12.393 ( -2.971 4.315 1.451) 5.436 13.055 ( 0.943 -17.672 5.411) 18.506 13.208 ( -5.823 2.136 -12.192) 13.679 13.786 ( 15.665 -0.944 11.158) 19.255 15.106 ( 6.433 -12.692 10.303) 17.568 17.448 ( -6.064 -3.710 -18.891) 20.184 18.986 ( 14.353 -1.484 17.748) 22.874 19.814 ( 16.750 7.006 1.599) 18.227 20.059 ( 11.187 -0.959 5.692) 12.588 21.401 ( -11.976 9.848 -6.946) 16.990 21.949 ( -17.937 -10.392 -9.923) 22.982 23.845 ( 2.233 -0.813 2.337) 3.333 24.054 ( 2.228 3.336 6.321) 7.487 ======================= Grid point 40 (29/432) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.386 22.577 -10.875) 25.173 1.737 ( -13.945 19.350 -11.751) 26.589 3.042 ( -7.067 9.401 3.933) 12.401 3.113 ( -3.202 -7.162 0.224) 7.849 3.237 ( -2.235 8.218 -10.208) 13.294 3.620 ( 1.094 0.272 -0.341) 1.177 4.272 ( 4.819 -7.240 -1.542) 8.833 4.500 ( -2.566 -1.699 -1.944) 3.640 4.830 ( -14.578 -14.079 2.483) 20.418 5.194 ( 2.097 -12.494 -6.372) 14.181 5.236 ( -11.671 -4.563 1.693) 12.645 5.647 ( -4.717 -2.176 -4.432) 6.828 5.928 ( 4.010 2.197 -0.716) 4.628 6.662 ( -1.169 -3.058 1.467) 3.587 7.296 ( -1.163 8.055 1.181) 8.224 8.070 ( 3.489 -1.026 7.377) 8.225 8.692 ( 4.322 -17.292 -8.115) 19.585 8.963 ( -2.450 -2.293 6.769) 7.555 9.251 ( -8.743 -12.882 -0.764) 15.587 9.707 ( 1.142 2.450 -5.487) 6.116 11.219 ( -0.210 39.503 0.911) 39.514 11.798 ( 4.104 5.911 -2.080) 7.491 12.172 ( -2.416 11.176 -0.206) 11.436 12.364 ( -1.667 0.676 1.433) 2.300 13.013 ( -3.312 2.398 -5.779) 7.079 13.273 ( 1.350 -15.898 3.225) 16.278 14.092 ( 10.199 -1.786 9.702) 14.189 15.394 ( 3.744 -16.444 6.712) 18.151 17.192 ( -4.558 -1.321 -16.093) 16.778 19.376 ( 14.054 -0.376 13.585) 19.550 19.934 ( 11.587 7.212 -1.955) 13.788 20.302 ( 12.241 4.016 8.586) 15.482 21.093 ( -11.905 4.507 -6.247) 14.180 21.666 ( -19.251 -7.770 -8.592) 22.467 23.881 ( 0.682 0.409 0.628) 1.013 24.144 ( 2.950 1.153 5.822) 6.628 ======================= Grid point 41 (30/432) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 25.034 0.000) 25.034 1.425 ( 0.000 25.032 0.000) 25.032 2.704 ( 0.000 45.487 0.000) 45.487 3.156 ( -0.000 -11.973 -0.000) 11.973 3.305 ( -0.000 -16.394 -0.000) 16.394 3.619 ( 0.000 0.624 0.000) 0.624 4.388 ( -0.000 -5.598 -0.000) 5.598 4.471 ( -0.000 -4.425 -0.000) 4.425 4.841 ( -0.000 -11.945 -0.000) 11.945 5.214 ( -0.000 -8.191 -0.000) 8.191 5.250 ( -0.000 -7.775 -0.000) 7.775 5.624 ( -0.000 -4.289 -0.000) 4.289 5.936 ( 0.000 1.965 0.000) 1.965 6.691 ( -0.000 -2.864 -0.000) 2.864 7.219 ( 0.000 7.916 0.000) 7.916 8.156 ( -0.000 -0.031 -0.000) 0.031 8.807 ( -0.000 -18.186 -0.000) 18.186 9.057 ( -0.000 -6.406 -0.000) 6.406 9.276 ( -0.000 -14.235 -0.000) 14.235 9.672 ( 0.000 0.794 0.000) 0.794 10.887 ( 0.000 39.519 0.000) 39.519 11.742 ( 0.000 9.210 0.000) 9.210 12.049 ( 0.000 14.134 0.000) 14.134 12.360 ( 0.000 0.018 0.000) 0.018 12.943 ( 0.000 1.500 0.000) 1.500 13.426 ( -0.000 -13.515 -0.000) 13.515 14.258 ( -0.000 -4.257 -0.000) 4.257 15.614 ( -0.000 -18.671 -0.000) 18.671 17.040 ( 0.000 2.322 0.000) 2.322 19.573 ( -0.000 -0.606 -0.000) 0.606 19.949 ( 0.000 6.283 0.000) 6.283 20.382 ( 0.000 11.212 0.000) 11.212 20.970 ( -0.000 -2.143 -0.000) 2.143 21.496 ( -0.000 -4.824 -0.000) 4.824 23.880 ( 0.000 1.067 0.000) 1.067 24.208 ( -0.000 -0.773 -0.000) 0.773 ======================= Grid point 48 (31/432) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -14.987 -0.000 -7.135) 16.599 2.561 ( 2.195 0.000 -9.673) 9.919 3.059 ( -7.661 -0.000 -6.202) 9.857 3.080 ( -11.847 -0.000 -9.220) 15.012 3.400 ( 8.966 0.000 8.420) 12.300 4.181 ( -5.177 -0.000 -0.957) 5.264 4.520 ( -14.134 -0.000 -10.734) 17.747 4.654 ( -16.036 -0.000 -1.950) 16.154 4.724 ( 3.320 0.000 -6.944) 7.697 4.947 ( -3.460 -0.000 -3.326) 4.799 5.510 ( -2.830 -0.000 -3.257) 4.315 5.921 ( 3.891 0.000 -5.803) 6.987 6.015 ( -15.988 -0.000 0.223) 15.990 6.711 ( -9.515 -0.000 1.700) 9.666 7.218 ( 7.877 0.000 9.822) 12.590 8.038 ( 9.792 0.000 7.274) 12.198 8.086 ( -2.838 -0.000 -2.751) 3.953 9.064 ( -6.173 -0.000 3.294) 6.997 9.277 ( -10.639 -0.000 -4.862) 11.697 10.054 ( -2.540 -0.000 -13.839) 14.070 11.561 ( 17.174 0.000 4.627) 17.786 12.208 ( 0.183 0.000 6.524) 6.526 12.399 ( -4.142 -0.000 12.085) 12.775 12.453 ( 2.841 0.000 -5.075) 5.816 12.544 ( -3.147 -0.000 -0.134) 3.149 13.420 ( 16.930 0.000 9.783) 19.553 13.503 ( -7.410 -0.000 -16.638) 18.214 14.711 ( 7.664 0.000 12.877) 14.985 17.685 ( -6.666 -0.000 -16.750) 18.027 18.605 ( 9.105 0.000 15.024) 17.567 19.632 ( 13.022 0.000 7.411) 14.983 19.884 ( 13.027 0.000 -2.562) 13.276 21.844 ( -15.066 -0.000 7.212) 16.703 22.024 ( -5.095 -0.000 -22.377) 22.950 23.750 ( 4.567 0.000 3.183) 5.566 24.026 ( -0.678 -0.000 6.050) 6.088 ======================= Grid point 50 (32/432) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -8.519 9.684 -6.387) 14.392 2.375 ( -4.300 6.584 -15.292) 17.195 2.889 ( -6.873 -7.909 -7.266) 12.751 2.922 ( -6.489 -5.622 -4.722) 9.798 3.561 ( 3.783 -0.821 4.202) 5.713 4.123 ( -7.558 8.234 0.610) 11.194 4.133 ( -9.347 8.583 -7.992) 14.997 4.538 ( -7.076 -6.458 0.433) 9.590 4.658 ( -8.516 -4.810 -2.497) 10.094 4.917 ( 0.764 -8.720 -4.592) 9.885 5.372 ( -9.125 0.247 -5.986) 10.916 5.799 ( -13.260 -0.186 -3.574) 13.734 5.930 ( 5.160 0.791 -2.983) 6.013 6.629 ( -6.178 -0.950 1.716) 6.482 7.405 ( 6.698 3.927 7.357) 10.696 7.989 ( -2.398 2.855 0.104) 3.730 8.282 ( 8.157 -10.759 1.557) 13.591 8.999 ( -6.708 2.560 2.384) 7.565 9.138 ( -8.536 -5.594 -1.783) 10.360 9.874 ( -1.056 1.804 -11.357) 11.547 11.776 ( 11.242 0.674 1.086) 11.315 12.122 ( 0.737 31.549 5.255) 31.992 12.344 ( -3.706 3.018 1.760) 5.093 12.469 ( -3.987 2.860 -1.461) 5.120 12.683 ( 0.883 -26.127 4.668) 26.555 13.238 ( -5.843 1.013 -12.978) 14.269 13.769 ( 15.992 -0.756 10.820) 19.323 14.948 ( 5.998 -5.301 8.754) 11.862 17.412 ( -6.514 -0.932 -15.805) 17.120 18.969 ( 14.778 -0.507 19.057) 24.121 19.918 ( 16.016 4.982 8.034) 18.598 20.022 ( 11.003 -3.075 1.508) 11.524 21.581 ( -12.430 11.266 -10.390) 19.733 21.770 ( -14.907 -11.042 -9.968) 21.060 23.835 ( 2.747 -0.316 2.790) 3.928 24.091 ( 1.383 1.060 5.086) 5.377 ======================= Grid point 51 (33/432) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -2.499 17.211 -11.271) 20.724 2.038 ( -8.491 15.730 -6.552) 19.038 2.868 ( -3.333 -13.033 -2.983) 13.780 2.895 ( -1.967 -13.416 -2.019) 13.709 3.592 ( -3.097 2.627 -1.451) 4.312 3.752 ( -4.360 25.580 -0.330) 25.951 4.166 ( 6.039 -5.097 -1.172) 7.989 4.499 ( -2.967 1.542 -4.988) 6.005 4.586 ( -15.071 -14.448 7.469) 22.174 4.984 ( 4.279 -11.583 -5.302) 13.438 5.177 ( -11.890 -2.519 -3.115) 12.547 5.625 ( -5.795 -0.601 -4.374) 7.285 5.958 ( 3.638 1.250 -1.131) 4.010 6.608 ( -2.612 -2.827 1.466) 4.118 7.457 ( 1.885 10.428 2.496) 10.887 8.006 ( -0.185 -6.435 2.743) 6.997 8.459 ( 6.192 -9.833 -2.180) 11.823 8.941 ( -4.104 0.024 3.029) 5.101 9.083 ( -6.711 -7.266 -0.583) 9.908 9.748 ( 0.180 2.066 -6.455) 6.780 11.865 ( 6.342 11.652 -1.982) 13.413 11.880 ( -0.862 28.952 3.554) 29.182 12.298 ( -2.448 3.560 0.868) 4.407 12.388 ( -2.309 2.483 -0.497) 3.427 12.948 ( 0.719 -22.971 3.175) 23.201 13.050 ( -3.120 1.574 -7.087) 7.902 14.058 ( 9.613 -1.750 7.606) 12.382 15.154 ( 3.273 -11.051 4.717) 12.454 17.185 ( -4.438 0.037 -10.962) 11.826 19.371 ( 13.327 -0.219 15.032) 20.090 20.038 ( 8.242 4.909 -1.659) 9.735 20.339 ( 15.853 0.622 13.876) 21.077 21.188 ( -13.000 6.312 -14.340) 20.359 21.540 ( -15.800 -7.052 -6.910) 18.631 23.886 ( 1.105 0.151 1.433) 1.816 24.157 ( 1.862 0.448 3.516) 4.004 ======================= Grid point 52 (34/432) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 22.369 0.000) 22.369 1.810 ( 0.000 20.795 0.000) 20.795 2.937 ( -0.000 -13.703 -0.000) 13.703 3.019 ( -0.000 -17.442 -0.000) 17.442 3.368 ( 0.000 31.388 0.000) 31.388 3.644 ( 0.000 4.297 0.000) 4.297 4.300 ( -0.000 -5.225 -0.000) 5.225 4.398 ( -0.000 -3.725 -0.000) 3.725 4.641 ( -0.000 -11.249 -0.000) 11.249 5.079 ( -0.000 -7.285 -0.000) 7.285 5.104 ( -0.000 -9.358 -0.000) 9.358 5.574 ( -0.000 -1.860 -0.000) 1.860 5.966 ( 0.000 1.479 0.000) 1.479 6.631 ( -0.000 -3.895 -0.000) 3.895 7.381 ( 0.000 11.357 0.000) 11.357 8.097 ( -0.000 -7.354 -0.000) 7.354 8.564 ( -0.000 -10.666 -0.000) 10.666 8.963 ( -0.000 -4.122 -0.000) 4.122 9.087 ( -0.000 -8.397 -0.000) 8.397 9.697 ( 0.000 1.837 0.000) 1.837 11.562 ( 0.000 40.261 0.000) 40.261 11.861 ( 0.000 5.138 0.000) 5.138 12.236 ( 0.000 7.934 0.000) 7.934 12.362 ( 0.000 0.431 0.000) 0.431 12.974 ( 0.000 1.913 0.000) 1.913 13.152 ( -0.000 -19.664 -0.000) 19.664 14.193 ( -0.000 -3.286 -0.000) 3.286 15.318 ( -0.000 -15.629 -0.000) 15.629 17.075 ( 0.000 1.765 0.000) 1.765 19.567 ( -0.000 -0.218 -0.000) 0.218 20.045 ( 0.000 4.918 0.000) 4.918 20.559 ( 0.000 9.454 0.000) 9.454 20.934 ( -0.000 -2.011 -0.000) 2.011 21.414 ( -0.000 -4.771 -0.000) 4.771 23.896 ( 0.000 0.741 0.000) 0.741 24.196 ( -0.000 -0.608 -0.000) 0.608 ======================= Grid point 61 (35/432) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -5.668 -0.000 -1.799) 5.946 2.194 ( -1.909 -0.000 -13.745) 13.877 2.724 ( -2.977 -0.000 -3.063) 4.271 2.762 ( -4.560 -0.000 -4.273) 6.249 3.599 ( -0.736 -0.000 -0.117) 0.746 4.056 ( -5.750 -0.000 -1.025) 5.841 4.102 ( 5.808 0.000 -3.693) 6.883 4.414 ( -17.953 -0.000 14.440) 23.040 4.527 ( -0.809 -0.000 -8.908) 8.945 4.866 ( 5.916 0.000 -3.629) 6.941 5.156 ( -12.742 -0.000 -5.012) 13.693 5.621 ( -6.155 -0.000 -4.367) 7.547 5.969 ( 3.500 0.000 -1.224) 3.708 6.582 ( -3.111 -0.000 1.394) 3.409 7.576 ( 4.492 0.000 4.629) 6.450 7.919 ( -2.900 -0.000 -2.742) 3.991 8.377 ( 6.279 0.000 2.296) 6.686 8.952 ( -5.284 -0.000 1.188) 5.416 9.014 ( -4.721 -0.000 -0.179) 4.725 9.766 ( -0.332 -0.000 -6.622) 6.631 11.891 ( 5.369 0.000 -0.111) 5.370 12.308 ( -2.780 -0.000 4.079) 4.936 12.412 ( -3.432 -0.000 0.286) 3.444 12.414 ( 2.590 0.000 -3.439) 4.305 12.557 ( -0.282 -0.000 4.527) 4.536 13.065 ( -3.100 -0.000 -7.253) 7.888 14.042 ( 9.509 0.000 7.118) 11.878 15.057 ( 3.149 0.000 4.100) 5.170 17.186 ( -4.362 -0.000 -9.588) 10.534 19.369 ( 13.157 0.000 15.492) 20.325 20.082 ( 6.309 0.000 -2.259) 6.701 20.340 ( 17.739 0.000 16.577) 24.279 21.260 ( -13.392 -0.000 -21.839) 25.618 21.464 ( -14.556 -0.000 -1.792) 14.666 23.887 ( 1.282 0.000 1.730) 2.153 24.161 ( 1.458 0.000 2.818) 3.173 ======================= Grid point 63 (36/432) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.000 12.870 0.000) 12.870 2.094 ( 0.000 11.235 0.000) 11.235 2.730 ( -0.000 -8.902 -0.000) 8.902 2.757 ( -0.000 -11.501 -0.000) 11.501 3.577 ( 0.000 1.359 0.000) 1.359 3.918 ( 0.000 19.696 0.000) 19.696 4.194 ( -0.000 -8.239 -0.000) 8.239 4.365 ( -0.000 -0.159 -0.000) 0.159 4.489 ( -0.000 -5.985 -0.000) 5.985 4.967 ( -0.000 -5.477 -0.000) 5.477 4.991 ( -0.000 -2.837 -0.000) 2.837 5.556 ( -0.000 -0.432 -0.000) 0.432 5.983 ( 0.000 0.536 0.000) 0.536 6.579 ( -0.000 -1.843 -0.000) 1.843 7.580 ( 0.000 10.703 0.000) 10.703 7.933 ( -0.000 -10.039 -0.000) 10.039 8.448 ( -0.000 -3.319 -0.000) 3.319 8.924 ( -0.000 -0.900 -0.000) 0.900 8.994 ( -0.000 -2.732 -0.000) 2.732 9.722 ( 0.000 0.870 0.000) 0.870 11.917 ( 0.000 1.628 0.000) 1.628 12.198 ( 0.000 34.473 0.000) 34.473 12.306 ( 0.000 1.147 0.000) 1.147 12.384 ( 0.000 1.532 0.000) 1.532 12.762 ( -0.000 -26.532 -0.000) 26.532 12.999 ( 0.000 0.872 0.000) 0.872 14.154 ( -0.000 -1.232 -0.000) 1.232 15.127 ( -0.000 -6.224 -0.000) 6.224 17.096 ( 0.000 0.656 0.000) 0.656 19.565 ( -0.000 -0.047 -0.000) 0.047 20.104 ( 0.000 1.914 0.000) 1.914 20.677 ( 0.000 4.005 0.000) 4.005 20.908 ( -0.000 -0.866 -0.000) 0.866 21.350 ( -0.000 -2.293 -0.000) 2.293 23.904 ( 0.000 0.259 0.000) 0.259 24.189 ( -0.000 -0.230 -0.000) 0.230 ======================= Grid point 125 (37/432) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -8.568 -0.000 26.657) 28.000 0.713 ( 15.076 0.000 34.021) 37.211 1.228 ( -11.086 -0.000 58.181) 59.227 3.459 ( 0.677 0.000 -1.647) 1.781 3.641 ( -0.515 -0.000 4.556) 4.585 3.852 ( -3.039 -0.000 4.864) 5.736 4.514 ( 3.310 0.000 -3.398) 4.743 5.077 ( 8.015 0.000 3.824) 8.881 5.177 ( 2.350 0.000 -6.337) 6.759 5.590 ( -16.820 -0.000 9.639) 19.386 5.753 ( -1.808 -0.000 -7.572) 7.785 5.936 ( -17.213 -0.000 10.044) 19.929 6.700 ( -1.370 -0.000 -0.210) 1.386 7.035 ( -45.146 -0.000 0.709) 45.152 7.125 ( 0.109 0.000 -1.998) 2.001 7.167 ( -17.459 -0.000 6.071) 18.484 8.466 ( 1.838 0.000 3.444) 3.904 9.454 ( -0.879 -0.000 -7.915) 7.964 9.715 ( 0.778 0.000 5.752) 5.804 9.792 ( -3.603 -0.000 -3.235) 4.842 10.174 ( 27.846 0.000 5.789) 28.441 11.203 ( -0.644 -0.000 -1.821) 1.931 12.063 ( -17.469 -0.000 9.240) 19.762 12.303 ( -1.081 -0.000 -4.918) 5.035 12.746 ( 1.621 0.000 -8.768) 8.916 13.116 ( 1.336 0.000 8.219) 8.327 13.733 ( -0.633 -0.000 -2.262) 2.349 15.850 ( -1.382 -0.000 -11.251) 11.335 18.686 ( 2.710 0.000 -4.756) 5.474 19.509 ( 57.670 0.000 -0.326) 57.671 19.680 ( -6.256 -0.000 -0.081) 6.256 19.960 ( 1.863 0.000 -5.204) 5.527 20.988 ( 9.743 0.000 -3.200) 10.255 23.068 (-106.657 -0.000 -3.088) 106.702 23.102 ( -2.756 -0.000 5.336) 6.006 23.841 ( 2.420 0.000 -0.099) 2.422 ======================= Grid point 126 (38/432) ======================= q-point: ( 0.09 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 6.118 -14.411 22.778) 27.639 1.190 ( -2.316 -9.063 33.903) 35.170 2.034 ( 27.425 -6.890 45.145) 53.270 3.457 ( 4.194 2.083 -3.414) 5.795 3.671 ( -4.374 0.109 6.748) 8.042 3.853 ( -3.653 3.282 5.919) 7.691 4.520 ( 5.041 3.083 -3.870) 7.063 5.068 ( -3.477 -0.579 -6.417) 7.322 5.297 ( -28.355 3.829 28.859) 40.639 5.350 ( 8.128 2.756 -3.873) 9.416 5.618 ( -3.633 -0.213 -9.578) 10.246 5.851 ( -7.395 2.131 11.572) 13.897 6.527 ( -1.974 28.191 8.494) 29.509 6.730 ( -3.557 5.149 4.502) 7.709 7.211 ( -0.461 -5.593 -1.883) 5.919 7.314 ( -3.199 -25.291 -1.298) 25.526 8.566 ( -1.717 -6.749 7.097) 9.943 9.378 ( -0.476 -6.043 -6.652) 8.999 9.700 ( -0.273 1.746 -6.137) 6.387 9.773 ( -0.194 4.764 5.706) 7.436 10.570 ( 31.276 13.629 -2.360) 34.198 11.230 ( 0.091 -16.772 -3.251) 17.085 12.018 ( -8.399 10.643 18.491) 22.929 12.232 ( 0.607 -1.572 -6.668) 6.877 12.732 ( 0.708 -13.660 -10.068) 16.984 13.273 ( 3.065 -5.435 7.143) 9.484 13.674 ( -2.900 0.546 -3.532) 4.602 15.620 ( -6.546 2.859 -16.917) 18.363 18.625 ( 5.423 16.981 1.079) 17.859 19.285 ( -34.263 5.568 -0.773) 34.721 19.566 ( -16.300 -9.580 -2.569) 19.080 20.018 ( -1.163 -1.227 -2.030) 2.642 21.111 ( 13.010 5.381 3.680) 14.552 22.433 ( 4.378 18.984 2.036) 19.589 23.270 ( -5.075 -24.823 -1.981) 25.414 23.881 ( 2.592 -0.076 0.970) 2.769 ======================= Grid point 127 (39/432) ======================= q-point: ( 0.18 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 11.261 -14.299 18.982) 26.298 1.652 ( 0.246 -15.410 31.545) 35.108 2.930 ( 31.675 -7.196 29.418) 43.823 3.436 ( 4.117 5.064 -4.554) 7.958 3.701 ( -4.070 0.939 9.873) 10.720 3.841 ( -1.179 5.550 3.211) 6.519 4.484 ( 4.348 6.851 -5.603) 9.860 4.928 ( -8.717 -4.734 -1.118) 9.982 5.168 ( -12.678 0.803 7.652) 14.830 5.464 ( -3.493 0.766 -7.751) 8.536 5.610 ( 13.626 2.091 12.207) 18.413 5.894 ( -6.946 1.095 11.419) 13.410 6.415 ( -1.983 15.575 7.691) 17.483 6.692 ( -5.513 5.129 6.159) 9.728 7.147 ( -3.200 -3.331 -10.461) 11.435 7.472 ( 1.703 -11.576 3.304) 12.158 8.676 ( -5.095 -7.528 8.325) 12.326 9.384 ( -1.964 -6.416 -2.203) 7.062 9.645 ( 5.530 -0.193 -4.455) 7.104 9.766 ( -0.835 7.295 4.375) 8.547 10.694 ( 14.335 16.725 -2.618) 22.183 11.410 ( 6.147 -21.704 -3.026) 22.760 12.008 ( -7.540 10.579 10.657) 16.803 12.212 ( 4.293 -0.715 -4.090) 5.973 12.770 ( 0.383 -17.764 -6.301) 18.853 13.439 ( 4.431 -1.541 8.021) 9.292 13.569 ( -5.358 1.120 -3.674) 6.592 15.268 ( -9.334 4.432 -19.895) 22.418 18.550 ( -5.564 18.555 8.212) 21.040 18.891 ( -8.979 3.024 -8.708) 12.868 19.395 ( -20.626 -14.603 -1.605) 25.323 19.912 ( -8.918 1.718 -3.175) 9.621 21.309 ( 13.734 6.071 7.162) 16.637 22.464 ( 15.656 6.011 -6.168) 17.868 23.352 ( -1.935 -14.559 -3.265) 15.045 23.923 ( 1.937 0.825 1.445) 2.554 ======================= Grid point 128 (40/432) ======================= q-point: ( 0.27 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 9.214 -10.302 16.274) 21.351 2.175 ( 6.649 -17.534 26.673) 32.605 3.331 ( 2.741 6.827 -3.416) 8.111 3.503 ( 5.489 -0.725 3.111) 6.351 3.774 ( 0.650 8.329 -5.512) 10.009 3.914 ( 16.600 -1.380 21.258) 27.007 4.423 ( 5.658 3.782 -6.674) 9.532 4.912 ( -0.150 -9.313 -4.880) 10.515 5.126 ( -9.351 -2.783 9.586) 13.677 5.344 ( -3.776 1.338 -3.596) 5.383 5.875 ( -11.102 2.411 9.250) 14.650 5.907 ( 7.511 5.462 18.941) 21.095 6.394 ( -1.088 3.048 4.712) 5.716 6.642 ( -6.529 7.181 7.639) 12.351 6.975 ( -3.520 2.294 -10.849) 11.635 7.637 ( 5.350 -8.662 3.833) 10.878 8.724 ( -10.813 -7.666 5.645) 14.407 9.322 ( -3.710 3.131 -2.099) 5.289 9.646 ( -1.290 5.602 -1.217) 5.876 9.905 ( 13.537 -6.502 8.245) 17.132 10.669 ( 4.615 7.595 -3.170) 9.436 11.589 ( 2.322 -5.658 -3.285) 6.943 11.916 ( -3.120 2.432 2.332) 4.592 12.250 ( 6.753 -0.338 -2.905) 7.359 12.887 ( -0.824 -17.651 -0.120) 17.670 13.394 ( -6.873 5.378 -4.745) 9.933 13.649 ( 6.104 -2.767 10.597) 12.539 14.873 ( -9.581 4.775 -19.701) 22.422 18.335 ( -13.094 11.064 1.438) 17.203 18.809 ( 11.823 8.273 -5.787) 15.547 19.257 ( -19.702 -17.748 -0.021) 26.517 19.714 ( -9.631 3.434 -5.256) 11.496 21.489 ( 10.274 7.887 5.694) 14.149 22.564 ( 12.738 -2.142 -5.802) 14.160 23.410 ( 1.448 -9.670 -3.048) 10.242 23.943 ( 0.345 2.592 1.586) 3.058 ======================= Grid point 129 (41/432) ======================= q-point: ( 0.36 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 4.155 -4.006 10.383) 11.879 2.693 ( 9.638 -14.366 19.460) 26.038 3.235 ( -0.675 6.191 -4.712) 7.809 3.466 ( -6.360 3.518 -0.219) 7.272 3.609 ( 0.684 8.770 -8.712) 12.381 4.391 ( 9.422 -3.995 11.541) 15.425 4.432 ( 17.364 -1.497 -8.292) 19.300 4.925 ( 0.521 -9.485 -5.953) 11.210 5.177 ( -4.887 -3.541 5.507) 8.170 5.260 ( -6.044 1.071 4.181) 7.427 5.764 ( -16.084 7.174 10.638) 20.575 6.143 ( 1.316 2.968 12.595) 13.007 6.410 ( -4.963 -6.437 3.420) 8.818 6.586 ( -2.974 11.542 8.139) 14.433 6.823 ( -1.155 3.436 -3.707) 5.184 7.862 ( 11.745 -6.811 4.630) 14.345 8.631 ( -17.993 -4.666 1.754) 18.671 9.241 ( -2.116 3.905 0.340) 4.454 9.562 ( -0.515 5.991 -1.485) 6.194 10.253 ( 12.515 -4.056 8.006) 15.401 10.673 ( 3.999 -6.214 -0.335) 7.397 11.387 ( -9.905 15.163 -8.508) 20.010 12.053 ( 8.087 -9.524 3.379) 12.943 12.313 ( 6.341 -0.326 -1.862) 6.617 13.010 ( -3.191 -12.639 2.986) 13.373 13.189 ( -6.515 8.132 -4.286) 11.267 13.888 ( 7.229 -4.203 7.734) 11.390 14.520 ( -6.760 3.910 -13.973) 16.007 18.128 ( -6.617 5.353 -2.223) 8.797 18.833 ( 10.217 7.628 -5.509) 13.890 19.182 ( -15.111 -15.568 1.761) 21.767 19.527 ( -5.197 2.197 -4.124) 6.989 21.562 ( 6.335 9.079 0.910) 11.108 22.689 ( 7.107 -6.691 -1.929) 9.950 23.490 ( 4.989 -7.241 -2.551) 9.156 23.923 ( -1.448 4.875 1.649) 5.346 ======================= Grid point 130 (42/432) ======================= q-point: (-0.55 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -2.931 6.725 -0.201) 7.339 2.919 ( -5.347 6.316 -5.000) 9.669 3.186 ( 1.449 -2.985 6.020) 6.874 3.379 ( -3.047 -0.799 2.738) 4.174 3.540 ( 4.568 -2.158 -2.074) 5.461 4.384 ( 2.548 -1.844 -13.921) 14.272 4.705 ( 6.234 -4.043 4.890) 8.895 4.966 ( 0.983 -6.822 -2.664) 7.389 5.123 ( -3.122 -4.256 -4.003) 6.624 5.287 ( -5.228 -0.358 8.264) 9.785 5.605 ( -16.208 7.598 10.869) 20.942 6.085 ( -8.164 -1.301 -7.687) 11.288 6.500 ( -2.879 4.532 12.477) 13.583 6.581 ( -3.219 3.617 9.300) 10.485 6.838 ( 2.610 0.212 8.598) 8.988 8.142 ( 17.497 -2.948 2.417) 17.908 8.405 ( -21.246 0.637 2.137) 21.362 9.202 ( -2.937 -0.545 0.623) 3.051 9.514 ( 2.052 4.057 -0.969) 4.648 10.354 ( -3.886 -2.519 -3.003) 5.519 10.932 ( 13.313 -11.772 5.657) 18.650 11.016 ( -7.269 17.691 -7.058) 20.386 12.243 ( 3.756 -2.122 4.207) 6.026 12.366 ( 3.214 0.033 -0.489) 3.252 13.008 ( -1.461 4.487 -0.687) 4.768 13.122 ( -0.696 -5.166 3.479) 6.267 13.912 ( -4.286 1.884 -12.094) 12.969 14.471 ( 7.233 -3.594 7.930) 11.319 18.020 ( -2.111 0.379 -3.779) 4.345 18.807 ( 6.153 2.586 -8.329) 10.673 19.150 ( -10.838 -9.052 3.377) 14.519 19.487 ( 3.314 -0.326 0.755) 3.414 21.538 ( 4.322 7.944 -4.099) 9.929 22.800 ( -0.370 -8.562 1.907) 8.779 23.598 ( 6.863 -5.259 -1.411) 8.761 23.866 ( -2.318 7.186 1.828) 7.769 ======================= Grid point 131 (43/432) ======================= q-point: (-0.45 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -9.357 15.663 -8.806) 20.259 2.581 ( -16.812 15.869 -5.564) 23.779 3.257 ( 1.311 -4.357 -0.172) 4.553 3.440 ( 0.418 -4.692 2.144) 5.175 3.686 ( 3.816 -9.780 2.815) 10.869 4.134 ( -9.839 4.930 -20.535) 23.298 4.745 ( -11.170 -4.508 3.533) 12.553 4.888 ( -5.142 0.242 -8.419) 9.868 5.207 ( 5.406 -10.387 1.334) 11.785 5.334 ( -0.514 -2.424 7.999) 8.374 5.509 ( -9.741 3.664 9.397) 14.022 5.890 ( -6.916 -0.289 -8.441) 10.916 6.518 ( 1.244 10.996 6.701) 12.937 6.595 ( -12.522 -4.806 8.684) 15.978 7.057 ( 2.270 -3.179 18.007) 18.426 8.138 ( -17.058 3.786 1.218) 17.515 8.398 ( 16.791 5.410 1.535) 17.708 9.195 ( -3.015 -6.807 0.409) 7.456 9.522 ( 4.053 1.903 -0.648) 4.525 10.166 ( -14.214 -1.838 -10.335) 17.670 10.781 ( 0.350 12.285 -0.659) 12.307 11.268 ( 12.775 -9.348 2.899) 16.093 12.235 ( -7.776 8.512 4.608) 12.416 12.376 ( 0.537 1.654 -0.314) 1.767 13.055 ( 9.862 4.533 4.013) 11.572 13.224 ( 1.602 -6.138 5.613) 8.471 13.623 ( -7.907 4.185 -15.477) 17.876 14.787 ( 12.826 -6.505 12.551) 19.088 17.936 ( -0.463 -2.801 -11.706) 12.046 18.820 ( 6.904 -3.111 -2.458) 7.962 19.126 ( -6.259 -3.052 3.046) 7.600 19.604 ( 7.772 -1.278 4.287) 8.967 21.453 ( 3.154 6.284 -8.707) 11.191 22.861 ( -7.939 -10.309 4.335) 13.715 23.717 ( 5.452 -2.803 2.297) 6.547 23.796 ( -0.913 8.436 1.664) 8.647 ======================= Grid point 132 (44/432) ======================= q-point: (-0.36 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -14.415 18.851 -8.620) 25.248 2.133 ( -20.184 21.786 -2.728) 29.824 3.311 ( -2.766 -4.570 -5.956) 8.001 3.458 ( -4.272 -3.273 -7.967) 9.614 3.597 ( -16.933 2.137 -9.886) 19.723 3.800 ( -4.919 -3.716 0.115) 6.166 4.679 ( -8.151 -3.640 3.211) 9.487 4.695 ( -7.986 0.402 -7.700) 11.100 5.373 ( 0.971 -5.747 3.790) 6.953 5.470 ( -6.033 -2.868 7.651) 10.157 5.506 ( 6.039 -7.428 2.585) 9.916 5.745 ( -4.053 1.010 -2.659) 4.951 6.526 ( 1.863 10.287 6.703) 12.419 6.546 ( -17.942 -10.880 6.685) 22.022 7.301 ( -2.333 -4.379 17.291) 17.989 7.932 ( -12.980 7.426 5.414) 15.904 8.515 ( 15.394 13.957 -3.252) 21.032 9.264 ( -0.224 -13.620 0.233) 13.624 9.560 ( 5.236 1.968 -1.067) 5.695 9.877 ( -11.377 1.786 -7.215) 13.590 10.750 ( -1.004 -2.345 0.878) 2.698 11.460 ( 8.932 -2.865 -3.586) 10.042 12.071 ( -12.418 12.240 7.206) 18.867 12.355 ( -0.305 2.482 -0.121) 2.503 13.196 ( 4.865 10.263 11.301) 16.022 13.322 ( -1.708 1.663 -14.042) 14.243 13.410 ( 5.418 -5.327 4.544) 8.854 15.162 ( 14.581 -6.693 11.473) 19.724 17.763 ( 1.013 -4.458 -24.239) 24.666 18.971 ( 1.440 -9.532 5.741) 11.220 19.125 ( 5.321 5.913 2.587) 8.365 19.779 ( 8.469 -1.011 5.075) 9.925 21.314 ( 1.627 5.250 -12.298) 13.470 22.868 ( -14.594 -13.546 5.208) 20.581 23.750 ( 1.563 9.173 2.909) 9.749 23.843 ( 2.335 -1.293 7.913) 8.351 ======================= Grid point 133 (45/432) ======================= q-point: (-0.27 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -18.718 18.089 -0.679) 26.039 1.639 ( -22.316 25.666 -0.408) 34.013 2.646 ( -37.135 15.313 -25.466) 47.561 3.517 ( -1.443 -7.689 4.240) 8.898 3.549 ( -0.112 -6.987 1.115) 7.077 3.738 ( -7.494 -1.684 -0.513) 7.698 4.541 ( -4.517 -2.386 -4.124) 6.565 4.665 ( -4.679 -2.011 2.937) 5.879 5.338 ( -8.913 -0.632 2.662) 9.324 5.580 ( 3.046 -6.420 2.212) 7.442 5.683 ( 3.817 -8.009 2.690) 9.271 5.712 ( -2.100 -0.905 2.890) 3.685 6.476 ( -25.158 -18.598 10.439) 32.981 6.564 ( 5.367 5.657 2.529) 8.198 7.420 ( -11.181 -3.751 10.041) 15.488 7.819 ( -4.042 12.248 10.589) 16.688 8.529 ( 13.818 17.656 -2.117) 22.520 9.398 ( 0.804 -17.449 -1.462) 17.529 9.590 ( 6.456 8.140 0.419) 10.398 9.722 ( -3.817 -1.126 -2.177) 4.536 10.791 ( -5.937 -17.369 -0.481) 18.362 11.461 ( 4.186 5.129 -8.470) 10.751 11.906 ( -15.575 8.592 11.481) 21.171 12.338 ( 0.440 2.534 1.075) 2.787 13.077 ( -6.101 2.292 -6.315) 9.075 13.378 ( 11.461 12.992 11.253) 20.659 13.587 ( 7.571 -0.787 4.197) 8.692 15.523 ( 14.644 -5.791 8.375) 17.836 17.477 ( 1.952 -4.669 -35.744) 36.101 19.020 ( -3.304 0.626 1.721) 3.777 19.308 ( 14.105 2.050 7.855) 16.274 19.935 ( 6.758 1.064 4.038) 7.944 21.141 ( 0.969 3.568 -13.109) 13.620 22.838 ( -20.372 -19.263 5.824) 28.636 23.750 ( 5.391 6.590 0.338) 8.520 23.997 ( -2.794 1.244 20.520) 20.746 ======================= Grid point 134 (46/432) ======================= q-point: (-0.18 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -22.705 14.216 11.613) 29.197 1.118 ( -26.933 22.254 -0.759) 34.946 1.719 ( -44.964 23.689 -9.741) 51.748 3.526 ( -5.266 -5.850 -0.146) 7.873 3.656 ( -5.444 0.967 1.600) 5.756 3.689 ( 2.320 -6.803 4.401) 8.428 4.527 ( -1.956 -5.766 0.477) 6.107 4.659 ( -2.371 1.080 5.917) 6.465 5.324 ( -3.203 -1.590 10.111) 10.724 5.613 ( -5.968 -5.595 -4.658) 9.414 5.739 ( -0.244 -5.734 0.004) 5.739 5.799 ( 3.336 0.006 3.000) 4.486 6.477 ( -30.294 -37.749 12.863) 50.081 6.627 ( 5.786 3.186 1.931) 6.882 7.312 ( -16.547 0.441 4.372) 17.120 7.882 ( 4.501 11.697 15.246) 19.736 8.559 ( 16.280 20.968 1.822) 26.609 9.521 ( -1.209 -16.665 -1.823) 16.808 9.607 ( 5.436 13.250 4.407) 14.984 9.706 ( 3.493 -3.685 -5.584) 7.547 10.843 ( -12.492 -32.088 -10.803) 36.089 11.334 ( 1.114 10.873 -4.912) 11.983 11.815 ( -21.807 -7.396 19.151) 29.950 12.347 ( 0.655 1.224 1.346) 1.934 12.956 ( -2.257 -0.096 -3.849) 4.463 13.566 ( 19.014 24.650 12.696) 33.620 13.704 ( 7.961 6.244 2.459) 10.412 15.809 ( 13.352 -2.813 2.284) 13.836 17.086 ( -2.168 -0.563 -30.482) 30.564 18.967 ( 3.860 11.864 -2.174) 12.664 19.542 ( 9.354 0.697 6.808) 11.590 20.019 ( 3.190 3.338 2.596) 5.296 21.004 ( 2.851 0.811 -11.120) 11.509 22.818 ( -25.152 -29.074 8.339) 39.338 23.777 ( 6.219 3.251 -1.931) 7.278 24.257 ( -4.574 -2.461 33.846) 34.243 ======================= Grid point 135 (47/432) ======================= q-point: (-0.09 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -32.924 11.707 -1.863) 34.993 0.553 ( -21.026 13.221 19.180) 31.380 1.092 ( -39.045 23.978 40.429) 61.106 3.487 ( -3.932 -2.581 -1.290) 4.877 3.618 ( -2.379 0.514 1.604) 2.915 3.804 ( -0.007 -3.784 4.676) 6.015 4.525 ( -0.326 -2.662 -3.552) 4.451 4.812 ( 5.765 -1.104 16.616) 17.622 5.402 ( -8.058 -2.026 -15.709) 17.771 5.530 ( 2.236 -2.199 13.551) 13.909 5.803 ( 1.678 -3.724 1.175) 4.250 5.848 ( 3.282 1.316 4.051) 5.377 6.641 ( -21.612 -47.801 6.882) 52.909 6.719 ( -10.087 -24.487 10.932) 28.651 7.170 ( -12.624 1.093 7.096) 14.523 8.013 ( 2.623 4.667 -0.569) 5.384 8.595 ( 20.381 31.968 -9.165) 39.004 9.545 ( 1.085 3.986 -4.507) 6.114 9.649 ( -0.328 -3.470 4.847) 5.970 9.731 ( 8.714 0.286 -4.344) 9.740 10.474 ( -44.722 -19.594 -34.796) 59.957 11.250 ( 1.326 8.747 0.218) 8.850 11.997 ( -23.687 -47.215 19.294) 56.237 12.345 ( -0.284 0.098 -1.632) 1.659 12.915 ( 0.584 1.373 -2.856) 3.223 13.445 ( 16.456 63.343 -34.026) 73.762 13.740 ( 1.810 -0.253 -0.624) 1.932 15.917 ( 6.083 -0.410 -7.362) 9.558 17.432 ( 44.945 -20.890 83.790) 97.351 18.885 ( 16.392 28.839 -3.005) 33.308 19.677 ( 2.096 -0.425 3.667) 4.245 20.029 ( -0.152 3.240 0.388) 3.266 20.949 ( 5.882 -0.806 -8.337) 10.235 22.895 ( -25.528 -42.643 10.962) 50.894 23.807 ( 4.547 1.164 -1.973) 5.091 24.559 ( -20.480 -20.963 -7.453) 30.240 ======================= Grid point 137 (48/432) ======================= q-point: ( 0.09 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 13.298 0.000 24.423) 27.809 1.511 ( -3.160 -0.000 34.929) 35.072 2.871 ( 34.437 0.000 30.128) 45.756 3.482 ( 5.217 0.000 -4.991) 7.220 3.707 ( -3.461 -0.000 9.738) 10.334 3.890 ( -2.150 -0.000 3.988) 4.530 4.553 ( 4.513 0.000 -4.420) 6.317 4.881 ( -8.926 -0.000 -5.534) 10.502 5.172 ( -16.989 -0.000 7.404) 18.532 5.466 ( -2.973 -0.000 -8.413) 8.923 5.624 ( 12.986 0.000 12.421) 17.971 5.908 ( -6.428 -0.000 12.256) 13.840 6.542 ( -11.620 -0.000 1.785) 11.756 6.863 ( -3.953 -0.000 9.247) 10.057 7.016 ( 2.485 0.000 -7.979) 8.357 7.356 ( 1.599 0.000 5.770) 5.987 8.601 ( -6.690 -0.000 11.113) 12.971 9.313 ( 0.725 0.000 -0.640) 0.967 9.648 ( 5.020 0.000 -6.723) 8.390 9.838 ( -0.487 -0.000 2.219) 2.272 11.029 ( 29.733 0.000 -1.869) 29.791 11.040 ( -5.946 -0.000 -5.574) 8.150 12.174 ( 5.259 0.000 -7.125) 8.856 12.193 ( -7.847 -0.000 20.093) 21.571 12.554 ( -0.919 -0.000 -10.566) 10.606 13.420 ( 5.330 0.000 9.870) 11.217 13.583 ( -4.605 -0.000 -4.197) 6.231 15.305 ( -10.459 -0.000 -19.660) 22.269 18.782 ( 11.793 0.000 -3.499) 12.301 18.874 ( -34.415 -0.000 6.905) 35.101 19.242 ( -15.874 -0.000 -8.733) 18.118 19.927 ( -8.061 -0.000 -2.618) 8.475 21.375 ( 11.856 0.000 9.712) 15.326 22.535 ( 13.223 0.000 -14.642) 19.729 23.199 ( 1.650 0.000 3.361) 3.744 23.931 ( 2.604 0.000 1.499) 3.005 ======================= Grid point 138 (49/432) ======================= q-point: ( 0.18 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 14.615 -1.565 22.437) 26.823 1.918 ( 1.401 -10.681 31.061) 32.876 3.427 ( 9.435 3.943 1.037) 10.278 3.484 ( 7.337 -1.184 -0.959) 7.493 3.871 ( -0.604 2.932 -2.721) 4.045 3.903 ( 14.170 -0.350 18.767) 23.518 4.513 ( 3.531 5.723 -7.265) 9.899 4.769 ( 0.899 -6.758 -10.445) 12.473 5.078 ( -12.157 -2.054 10.013) 15.883 5.355 ( -4.043 0.188 -3.176) 5.145 5.871 ( -1.126 -0.335 9.120) 9.195 5.998 ( -0.660 2.897 19.264) 19.492 6.400 ( -11.075 -0.638 0.414) 11.101 6.836 ( -2.587 12.326 7.880) 14.856 6.993 ( 0.337 -1.329 -7.056) 7.188 7.466 ( -0.663 -8.983 7.618) 11.797 8.609 ( -12.449 -4.357 7.603) 15.224 9.317 ( -3.836 -1.311 1.020) 4.180 9.737 ( 13.033 3.223 -0.442) 13.433 9.846 ( 3.823 -0.855 2.241) 4.514 10.832 ( -4.623 8.232 -6.657) 11.552 11.422 ( 21.266 -8.907 0.456) 23.061 12.116 ( -0.467 15.175 -1.611) 15.267 12.259 ( 1.604 3.331 2.948) 4.728 12.547 ( -3.147 -21.510 -0.456) 21.744 13.457 ( -6.081 1.969 -4.191) 7.643 13.617 ( 6.469 -1.050 10.036) 11.987 14.924 ( -11.551 1.442 -19.614) 22.808 18.523 ( -19.373 9.514 1.465) 21.633 18.909 ( 14.046 3.219 -6.411) 15.772 18.987 ( -16.775 -12.198 -3.655) 21.061 19.754 ( -10.168 1.233 -5.243) 11.506 21.621 ( 9.108 5.731 12.128) 16.214 22.521 ( 11.569 -2.169 -15.291) 19.296 23.282 ( 3.234 -4.505 1.203) 5.674 23.974 ( 1.500 0.989 1.735) 2.498 ======================= Grid point 139 (50/432) ======================= q-point: ( 0.27 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 7.840 1.776 18.888) 20.528 2.430 ( 9.474 -15.816 23.736) 30.055 3.345 ( -1.761 6.349 -5.764) 8.754 3.506 ( -3.468 1.116 -2.073) 4.192 3.749 ( -0.993 6.487 -9.632) 11.655 4.343 ( 14.294 -1.730 9.229) 17.102 4.439 ( 12.246 2.867 -9.332) 15.661 4.747 ( 2.348 -11.255 -10.193) 15.365 5.126 ( -4.599 -2.207 10.659) 11.817 5.270 ( -7.356 0.162 1.565) 7.522 5.844 ( -13.736 2.710 8.757) 16.514 6.193 ( -3.172 2.955 9.628) 10.559 6.315 ( -5.411 -4.794 7.508) 10.422 6.795 ( -2.939 11.789 8.814) 15.010 6.897 ( -0.599 5.420 -3.455) 6.456 7.679 ( 3.501 -13.702 9.552) 17.066 8.518 ( -16.571 -6.443 1.726) 17.863 9.267 ( -5.011 0.419 0.746) 5.084 9.721 ( 1.129 10.390 -0.582) 10.468 10.163 ( 19.954 -6.066 8.730) 22.609 10.645 ( -4.952 0.850 -6.711) 8.384 11.661 ( 9.290 12.820 -2.886) 16.094 11.967 ( 4.003 3.874 1.501) 5.770 12.310 ( 6.104 -0.021 -1.454) 6.275 12.724 ( -3.790 -20.899 5.555) 21.955 13.297 ( -6.964 4.653 -3.622) 9.125 13.832 ( 7.792 -2.396 7.675) 11.196 14.561 ( -9.976 1.190 -15.424) 18.407 18.245 ( -9.820 8.100 -3.567) 13.220 18.802 ( -11.243 -11.585 -6.839) 17.533 19.065 ( 11.426 2.329 -0.187) 11.662 19.554 ( -7.816 0.881 -5.579) 9.643 21.756 ( 4.872 12.702 8.003) 15.784 22.545 ( 7.636 -9.813 -10.655) 16.375 23.385 ( 5.466 -4.736 0.363) 7.242 23.988 ( -0.244 2.766 2.035) 3.443 ======================= Grid point 140 (51/432) ======================= q-point: ( 0.36 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 2.085 6.929 8.838) 11.422 2.898 ( 8.362 -9.073 12.837) 17.805 3.174 ( -7.137 2.775 -3.740) 8.522 3.394 ( -5.585 1.785 -2.528) 6.385 3.563 ( -1.225 4.061 -8.878) 9.839 4.353 ( 1.980 -1.301 -8.512) 8.835 4.659 ( 12.774 -2.342 -2.616) 13.248 4.797 ( 3.625 -11.633 -4.492) 12.987 5.095 ( -7.316 0.575 -3.106) 7.969 5.268 ( -4.572 -1.847 8.221) 9.587 5.705 ( -16.733 4.352 8.224) 19.146 6.071 ( -7.848 -0.336 -7.004) 10.524 6.471 ( -6.836 -2.826 16.844) 18.397 6.767 ( -2.066 12.854 9.265) 15.979 6.866 ( 0.996 3.008 6.290) 7.043 7.989 ( 8.371 -15.094 8.702) 19.329 8.343 ( -17.179 -4.893 -1.407) 17.918 9.207 ( -5.116 1.453 1.733) 5.593 9.635 ( -0.079 8.040 -1.207) 8.131 10.345 ( -3.311 1.643 -6.414) 7.403 10.740 ( 16.626 -10.232 7.524) 20.922 11.425 ( -0.851 28.676 -4.782) 29.084 12.189 ( 11.823 -3.803 6.836) 14.177 12.365 ( 4.084 -0.014 -0.803) 4.162 12.900 ( -2.982 -15.478 5.993) 16.863 13.140 ( -4.191 5.041 -2.070) 6.875 13.926 ( -0.080 0.063 -9.233) 9.234 14.404 ( 1.300 -4.054 3.124) 5.280 18.053 ( -4.314 3.413 -6.110) 8.222 18.699 ( -8.389 -12.140 -5.914) 15.897 19.151 ( 7.485 6.388 -0.626) 9.860 19.471 ( 2.459 -1.917 -1.637) 3.521 21.730 ( 2.214 14.523 0.498) 14.699 22.619 ( 0.909 -13.054 -4.245) 13.757 23.513 ( 7.255 -4.446 0.621) 8.531 23.970 ( -1.587 4.918 2.604) 5.787 ======================= Grid point 141 (52/432) ======================= q-point: (-0.55 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -4.740 15.348 -4.298) 16.628 2.806 ( -13.248 10.738 -5.020) 17.777 3.215 ( -0.080 -1.383 0.360) 1.431 3.358 ( -0.381 -5.324 2.186) 5.768 3.517 ( 0.718 -9.190 -0.838) 9.256 4.227 ( -3.586 5.410 -12.122) 13.750 4.675 ( -7.732 -3.363 -2.298) 8.740 4.850 ( -4.446 -5.251 -6.780) 9.660 5.023 ( 4.187 -9.651 -2.717) 10.865 5.297 ( -4.075 -2.146 5.111) 6.880 5.572 ( -11.787 3.459 7.338) 14.309 5.898 ( -5.099 0.990 -6.891) 8.629 6.509 ( -13.637 -3.150 9.540) 16.938 6.730 ( -2.915 11.358 7.740) 14.051 7.021 ( 1.940 -0.830 15.946) 16.085 8.142 ( -17.660 -3.092 1.966) 18.036 8.323 ( 14.081 -12.317 2.006) 18.814 9.147 ( -5.693 1.640 2.260) 6.341 9.577 ( 0.299 2.606 -0.926) 2.781 10.130 ( -10.058 -0.783 -11.972) 15.656 11.136 ( 13.211 2.352 4.410) 14.125 11.152 ( 5.484 20.680 1.869) 21.476 12.350 ( 1.646 4.741 3.211) 5.958 12.403 ( 0.290 1.608 3.665) 4.012 13.062 ( 3.403 -8.904 6.558) 11.570 13.115 ( 3.594 -1.325 1.764) 4.217 13.684 ( -7.446 2.923 -15.957) 17.850 14.654 ( 10.886 -8.855 10.611) 17.593 17.901 ( -2.781 -1.292 -12.529) 12.899 18.678 ( -3.202 -10.719 0.365) 11.193 19.177 ( 7.337 6.522 -0.168) 9.818 19.580 ( 9.552 -1.883 1.779) 9.897 21.607 ( 1.027 12.028 -5.531) 13.278 22.665 ( -7.131 -13.224 -0.435) 15.030 23.654 ( 7.101 -3.690 1.560) 8.153 23.933 ( -1.700 6.936 3.861) 8.118 ======================= Grid point 142 (53/432) ======================= q-point: (-0.45 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -9.983 20.628 -8.807) 24.551 2.445 ( -17.466 14.934 -4.097) 23.343 3.224 ( 0.595 -5.087 -0.427) 5.140 3.393 ( -1.123 -4.579 -2.061) 5.145 3.580 ( -5.941 -6.866 -6.328) 11.067 3.856 ( -15.545 12.639 -8.924) 21.933 4.592 ( -10.295 -6.452 3.875) 12.753 4.677 ( -7.509 -2.641 -10.989) 13.568 5.207 ( 6.684 -13.117 0.621) 14.735 5.357 ( -3.431 -7.339 6.635) 10.471 5.486 ( -6.778 1.685 1.771) 7.206 5.780 ( -1.238 2.493 -3.555) 4.515 6.414 ( -20.523 -5.244 6.898) 22.277 6.687 ( -2.789 8.432 6.068) 10.756 7.236 ( -0.938 -2.860 15.750) 16.036 7.994 ( -11.136 1.277 4.516) 12.085 8.590 ( 13.885 -8.518 -3.443) 16.649 9.094 ( -5.977 -1.569 2.514) 6.672 9.579 ( 1.112 -1.556 0.104) 1.915 9.874 ( -9.177 -1.462 -9.913) 13.588 10.938 ( 0.581 24.424 0.365) 24.434 11.428 ( 12.951 -1.333 2.435) 13.245 12.276 ( -6.945 10.875 3.324) 13.324 12.402 ( -1.871 3.500 3.095) 5.033 13.230 ( 1.873 -7.683 5.354) 9.550 13.326 ( 14.645 -0.580 2.425) 14.855 13.384 ( -7.084 3.106 -8.004) 11.131 15.014 ( 13.465 -10.730 9.211) 19.526 17.691 ( -2.771 -3.872 -21.485) 22.007 18.808 ( 1.278 -8.820 8.721) 12.469 19.246 ( 12.479 7.847 0.519) 14.750 19.760 ( 10.841 -1.439 3.413) 11.457 21.433 ( -0.368 8.984 -10.159) 13.567 22.639 ( -15.030 -13.913 1.191) 20.516 23.780 ( 5.492 -2.176 0.500) 5.928 23.920 ( -0.724 7.289 8.890) 11.520 ======================= Grid point 143 (54/432) ======================= q-point: (-0.36 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -12.280 23.035 -4.249) 26.447 2.001 ( -21.021 17.230 -6.903) 28.043 3.006 ( -23.328 26.456 -15.954) 38.713 3.354 ( 0.551 -11.011 3.332) 11.517 3.426 ( -5.662 -8.226 -0.772) 10.016 3.697 ( -6.103 -2.451 0.566) 6.601 4.482 ( -8.258 -4.911 -5.964) 11.309 4.613 ( -3.775 -3.965 4.004) 6.783 5.319 ( -6.933 -2.508 1.883) 7.609 5.420 ( -2.384 -12.781 0.718) 13.021 5.506 ( 1.523 -9.092 1.768) 9.386 5.751 ( 3.222 3.013 0.621) 4.455 6.236 ( -27.896 -9.695 6.804) 30.307 6.667 ( -0.328 5.204 4.140) 6.658 7.364 ( -7.679 -2.471 10.529) 13.264 7.946 ( -2.901 4.532 7.403) 9.151 8.735 ( 13.436 0.980 -7.002) 15.183 9.102 ( -4.799 -10.786 3.042) 12.191 9.617 ( 1.484 -3.206 -1.348) 3.781 9.738 ( -4.521 -3.341 -0.451) 5.640 10.740 ( -4.287 15.593 -2.321) 16.337 11.549 ( 7.258 4.913 -1.342) 8.867 12.106 ( -9.803 13.148 4.584) 17.029 12.384 ( -1.396 2.946 2.354) 4.021 13.111 ( -5.748 2.197 -10.628) 12.280 13.396 ( 3.941 -7.348 5.294) 9.876 13.650 ( 16.335 4.708 12.112) 20.873 15.377 ( 14.041 -11.593 5.931) 19.150 17.405 ( -2.741 -3.579 -27.138) 27.509 19.006 ( 5.305 -1.890 8.353) 10.074 19.387 ( 15.233 6.955 3.426) 17.092 19.949 ( 10.404 0.343 3.789) 11.078 21.221 ( -1.604 5.985 -12.773) 14.196 22.537 ( -23.067 -16.508 2.254) 28.455 23.822 ( 4.280 2.305 -2.503) 5.468 24.029 ( -0.337 2.501 16.835) 17.023 ======================= Grid point 144 (55/432) ======================= q-point: (-0.27 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -12.760 23.849 4.941) 27.496 1.436 ( -27.022 17.004 -12.467) 34.275 2.274 ( -27.035 39.205 -0.986) 47.633 3.411 ( -5.263 -8.089 -0.582) 9.668 3.528 ( 1.592 -12.072 4.252) 12.897 3.654 ( -4.607 -0.958 1.549) 4.954 4.425 ( -2.470 -6.478 -0.760) 6.974 4.650 ( -2.816 -1.971 6.506) 7.358 5.275 ( -7.297 -4.636 6.495) 10.813 5.463 ( -4.897 -11.794 -6.061) 14.136 5.612 ( -0.769 -9.240 1.935) 9.471 5.813 ( 3.895 1.676 3.374) 5.419 6.031 ( -33.387 -16.503 8.629) 38.230 6.682 ( 1.754 2.706 2.104) 3.850 7.314 ( -13.870 0.542 5.742) 15.021 8.005 ( 4.229 4.978 6.764) 9.403 8.805 ( 15.267 4.869 -7.147) 17.546 9.223 ( -2.844 -15.416 7.312) 17.297 9.630 ( 1.318 -4.650 -4.231) 6.424 9.775 ( -1.289 -2.544 5.232) 5.959 10.496 ( -13.325 3.376 -7.132) 15.486 11.525 ( 2.597 11.111 -0.449) 11.419 11.919 ( -10.857 12.860 5.506) 17.708 12.372 ( -0.900 1.655 1.172) 2.218 12.958 ( -2.121 0.478 -5.143) 5.584 13.559 ( 3.642 -7.611 2.542) 8.812 13.959 ( 19.666 9.350 10.374) 24.120 15.691 ( 13.661 -11.415 -0.521) 17.810 17.087 ( -3.331 0.658 -19.335) 19.631 19.157 ( 14.717 9.447 1.802) 17.580 19.573 ( 10.625 3.308 4.806) 12.122 20.089 ( 7.389 4.675 3.305) 9.348 21.026 ( 0.194 1.832 -12.497) 12.632 22.379 ( -32.689 -21.901 5.832) 39.778 23.825 ( 3.974 2.579 -2.302) 5.267 24.222 ( -2.290 -1.711 18.940) 19.154 ======================= Grid point 145 (56/432) ======================= q-point: (-0.18 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -19.159 21.895 0.662) 29.101 0.883 ( -10.890 23.712 14.376) 29.791 1.697 ( -24.034 42.977 19.828) 53.083 3.409 ( -3.144 -6.546 -0.706) 7.296 3.628 ( -2.393 0.397 1.675) 2.947 3.684 ( -0.546 -10.184 5.258) 11.474 4.451 ( 0.928 -5.515 -3.077) 6.383 4.775 ( 1.282 -3.314 14.782) 15.203 5.339 ( -7.009 -5.293 -12.617) 15.373 5.425 ( -1.457 -12.734 17.026) 21.311 5.658 ( -18.508 -14.779 8.670) 25.222 5.841 ( -18.941 -9.167 9.707) 23.174 5.895 ( -9.313 -6.277 4.141) 11.970 6.708 ( 1.932 0.684 0.540) 2.120 7.192 ( -12.112 2.003 6.730) 14.000 8.072 ( 2.770 3.375 -0.503) 4.395 8.878 ( 17.563 3.106 -15.754) 23.797 9.444 ( 0.451 -13.495 10.509) 17.110 9.629 ( 1.951 -2.559 -5.602) 6.460 9.813 ( -1.971 -1.567 3.814) 4.571 10.148 ( -23.080 0.347 -9.297) 24.884 11.465 ( 1.776 14.296 4.094) 14.976 11.767 ( -11.719 7.044 10.978) 17.535 12.353 ( -0.590 0.660 -1.315) 1.585 12.917 ( 0.594 -0.151 -1.019) 1.189 13.654 ( 1.604 -6.155 -2.921) 6.999 14.087 ( 15.248 15.734 -22.994) 31.761 15.850 ( 8.808 -8.516 -13.935) 18.555 17.160 ( 9.602 -9.514 38.011) 40.343 19.314 ( 30.727 18.331 -2.756) 35.885 19.672 ( 2.402 0.280 -0.600) 2.492 20.128 ( 1.503 8.186 2.827) 8.790 20.927 ( 4.612 -1.733 -10.562) 11.655 22.211 ( -44.680 -29.549 16.355) 56.008 23.831 ( 3.091 1.735 -1.413) 3.816 24.345 ( -12.382 -6.202 4.185) 14.467 ======================= Grid point 146 (57/432) ======================= q-point: (-0.09 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.184 22.669 19.174) 29.771 0.864 ( 15.991 16.379 27.509) 35.787 1.484 ( -11.678 29.260 45.223) 55.115 3.425 ( 0.742 -3.949 -1.372) 4.245 3.640 ( -1.011 0.016 4.374) 4.489 3.793 ( -3.169 -6.890 5.426) 9.325 4.478 ( 3.853 -4.051 -4.328) 7.070 5.040 ( 8.235 -4.724 7.003) 11.797 5.174 ( 1.229 -0.560 -5.444) 5.609 5.518 ( -34.402 -11.778 14.723) 39.230 5.758 ( -16.517 -10.262 3.502) 19.758 5.779 ( -11.296 -14.421 13.922) 23.009 6.046 ( 6.635 -19.851 18.049) 27.638 6.726 ( -0.533 -0.585 0.679) 1.043 7.157 ( -4.476 0.969 8.434) 9.597 7.859 ( -12.396 18.055 -17.595) 28.093 8.687 ( 0.499 15.777 -14.626) 21.519 9.537 ( -0.790 7.376 -6.058) 9.577 9.619 ( -0.202 -10.579 3.366) 11.103 9.810 ( -11.789 -3.134 -1.820) 12.334 10.074 ( 25.242 -2.699 8.099) 26.646 11.384 ( 1.980 17.738 -0.222) 17.850 11.821 ( -10.400 -8.920 20.436) 24.604 12.310 ( -0.397 0.488 -4.538) 4.581 12.911 ( 1.872 3.801 -4.110) 5.903 13.461 ( -1.988 24.751 -23.340) 34.079 13.743 ( -0.735 5.146 -5.055) 7.251 15.802 ( -0.171 -5.851 -13.437) 14.657 18.149 ( 11.685 -43.144 31.174) 54.495 19.555 ( 0.404 -2.560 -5.148) 5.763 19.678 ( 20.293 5.492 -4.872) 21.581 20.064 ( -0.324 8.774 -1.112) 8.850 20.921 ( 5.108 -5.243 -3.613) 8.163 22.176 ( -34.778 -32.285 27.904) 55.050 23.845 ( 1.468 2.670 -1.665) 3.472 23.878 ( -27.917 23.112 -16.953) 40.012 ======================= Grid point 149 (58/432) ======================= q-point: ( 0.18 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.320 0.000 25.996) 25.998 2.210 ( 18.349 0.000 21.500) 28.266 3.411 ( -3.035 -0.000 -6.590) 7.256 3.508 ( -0.932 -0.000 -2.837) 2.986 3.802 ( -1.837 -0.000 -8.735) 8.927 4.329 ( 18.617 0.000 8.542) 20.483 4.516 ( 4.739 0.000 -6.325) 7.904 4.596 ( 5.637 0.000 -16.750) 17.673 5.108 ( -4.330 -0.000 13.899) 14.558 5.270 ( -7.803 -0.000 0.424) 7.815 5.865 ( -12.413 -0.000 8.188) 14.871 6.236 ( -9.860 -0.000 -3.225) 10.374 6.256 ( -0.454 -0.000 20.661) 20.666 6.889 ( -4.419 -0.000 3.133) 5.417 6.989 ( 2.855 0.000 -0.547) 2.907 7.519 ( -3.122 -0.000 14.703) 15.030 8.460 ( -14.587 -0.000 1.238) 14.639 9.270 ( -5.095 -0.000 1.983) 5.467 9.830 ( -2.272 -0.000 -0.517) 2.330 10.094 ( 25.421 0.000 8.302) 26.743 10.657 ( -8.989 -0.000 -9.400) 13.006 11.726 ( 22.629 0.000 4.407) 23.054 12.158 ( 6.566 0.000 -15.325) 16.672 12.328 ( 1.636 0.000 -1.228) 2.045 12.414 ( -9.193 -0.000 17.833) 20.063 13.337 ( -6.897 -0.000 -3.347) 7.666 13.811 ( 7.810 0.000 7.599) 10.897 14.569 ( -11.183 -0.000 -15.907) 19.445 18.343 ( -12.312 -0.000 -4.110) 12.980 18.661 ( -12.801 -0.000 -5.652) 13.994 19.099 ( 16.662 0.000 -2.223) 16.810 19.560 ( -9.058 -0.000 -6.512) 11.156 21.894 ( 3.656 0.000 14.883) 15.325 22.434 ( 8.179 0.000 -18.230) 19.981 23.344 ( 5.813 0.000 1.624) 6.035 24.012 ( 0.203 0.000 2.060) 2.070 ======================= Grid point 150 (59/432) ======================= q-point: ( 0.27 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 1.939 6.313 15.351) 16.711 2.718 ( 14.423 -9.203 18.820) 25.435 3.230 ( -9.369 2.472 -8.114) 12.638 3.416 ( -5.059 0.719 -4.937) 7.105 3.626 ( -4.641 2.288 -11.885) 12.962 4.369 ( -1.004 3.169 -5.466) 6.397 4.573 ( 7.126 -7.670 -4.663) 11.460 4.664 ( 16.471 -2.623 -9.650) 19.269 5.130 ( -10.747 2.693 -0.135) 11.080 5.228 ( -2.367 -2.462 7.916) 8.621 5.752 ( -16.340 1.382 6.799) 17.752 6.070 ( -7.105 0.036 -6.393) 9.558 6.437 ( -8.538 -1.075 18.968) 20.828 6.900 ( -0.592 2.115 7.969) 8.266 6.975 ( -1.941 8.305 3.444) 9.198 7.728 ( -0.422 -11.821 15.293) 19.334 8.286 ( -10.848 -1.743 -3.099) 11.416 9.231 ( -5.235 0.933 3.505) 6.369 9.736 ( -5.976 3.318 -2.977) 7.456 10.404 ( -4.015 4.515 -8.968) 10.813 10.589 ( 22.055 -7.168 8.894) 24.837 11.907 ( 6.896 25.694 -4.322) 26.952 12.129 ( 15.078 -3.834 4.863) 16.300 12.366 ( 4.215 0.022 -0.753) 4.282 12.588 ( -5.765 -18.426 11.542) 22.494 13.207 ( -6.289 2.318 -1.985) 6.990 13.923 ( 2.835 -0.212 -7.246) 7.784 14.351 ( -3.101 -1.853 -0.164) 3.616 18.118 ( -6.933 3.313 -9.643) 12.329 18.520 ( -8.246 -7.099 -1.467) 10.979 19.266 ( 14.095 5.733 -2.681) 15.451 19.422 ( -0.910 -3.401 -4.005) 5.332 21.993 ( -0.696 14.892 7.530) 16.702 22.379 ( 3.164 -14.003 -12.351) 18.938 23.460 ( 7.442 -1.649 2.113) 7.910 24.026 ( -1.074 1.701 2.656) 3.332 ======================= Grid point 151 (60/432) ======================= q-point: (-0.64 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -2.127 11.776 1.142) 12.020 2.940 ( -12.349 5.290 -5.499) 14.517 3.153 ( 7.241 -6.951 10.984) 14.879 3.286 ( -4.625 -1.931 -4.193) 6.535 3.420 ( -6.021 -2.563 -9.454) 11.498 4.298 ( -1.235 2.975 -1.212) 3.441 4.618 ( 0.903 -3.698 -12.151) 12.733 4.737 ( 4.799 -6.696 -5.370) 9.834 4.934 ( -9.620 -0.972 -4.936) 10.856 5.261 ( -5.704 -2.036 3.639) 7.066 5.618 ( -12.236 1.936 5.905) 13.724 5.915 ( -3.931 0.867 -6.537) 7.677 6.473 ( -16.365 -1.313 13.638) 21.343 6.895 ( -6.299 7.917 4.567) 11.099 7.029 ( 2.397 1.317 13.526) 13.800 7.989 ( -5.833 -13.090 12.386) 18.942 8.175 ( 1.877 -3.644 -4.669) 6.213 9.192 ( -5.995 2.549 4.544) 7.942 9.589 ( -7.446 -0.667 -3.697) 8.340 10.159 ( -6.436 3.369 -13.372) 15.218 11.049 ( 21.462 -4.265 9.341) 23.792 11.687 ( 4.158 32.745 -0.298) 33.009 12.393 ( 3.725 1.052 -0.510) 3.904 12.422 ( 7.276 -0.284 8.709) 11.352 12.811 ( -1.910 -18.593 8.248) 20.430 13.134 ( 1.590 1.692 1.306) 2.664 13.720 ( -6.229 1.315 -16.903) 18.062 14.516 ( 8.786 -6.782 9.212) 14.424 17.890 ( -5.132 -0.135 -14.650) 15.524 18.525 ( -2.123 -6.790 4.586) 8.464 19.295 ( 8.297 6.954 -1.524) 10.932 19.534 ( 12.447 -3.628 -1.165) 13.017 21.847 ( -1.152 16.203 -5.053) 17.011 22.419 ( -5.814 -16.074 -2.628) 17.294 23.604 ( 7.376 -2.149 3.008) 8.251 24.021 ( -1.440 3.571 3.585) 5.261 ======================= Grid point 152 (61/432) ======================= q-point: (-0.55 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -7.413 18.321 -7.441) 21.118 2.632 ( -16.292 7.657 -5.748) 18.897 3.151 ( -3.754 -3.508 -3.898) 6.449 3.296 ( -6.039 -7.439 -3.231) 10.112 3.450 ( 4.187 -6.668 4.173) 8.912 4.130 ( -9.138 17.925 -9.046) 22.060 4.461 ( -10.798 -8.724 -2.154) 14.048 4.635 ( -7.724 -1.353 -8.348) 11.453 4.974 ( 5.918 -14.346 -2.298) 15.688 5.247 ( -7.436 -5.749 4.790) 10.550 5.519 ( -7.792 1.899 0.691) 8.050 5.818 ( 0.152 1.911 -3.786) 4.244 6.359 ( -22.841 -1.755 9.038) 24.627 6.797 ( -7.370 4.677 3.644) 9.459 7.215 ( 1.401 0.278 14.234) 14.306 8.000 ( -8.036 0.063 5.747) 9.880 8.347 ( 9.207 -15.924 -2.487) 18.561 9.135 ( -7.043 3.439 4.905) 9.246 9.497 ( -6.694 -7.047 -1.694) 9.866 9.897 ( -4.477 4.081 -13.081) 14.415 11.392 ( 13.914 3.992 3.805) 14.967 11.475 ( 5.513 29.790 3.363) 30.482 12.385 ( -0.873 2.589 -0.633) 2.805 12.498 ( -4.585 6.973 7.107) 10.962 13.020 ( -0.095 -16.530 5.136) 17.310 13.315 ( 15.926 -0.999 6.531) 17.242 13.427 ( -7.515 1.797 -13.034) 15.152 14.825 ( 12.059 -10.887 6.984) 17.684 17.640 ( -5.003 -2.247 -19.243) 20.009 18.690 ( 4.687 -5.293 11.722) 13.689 19.376 ( 14.072 7.525 0.346) 15.961 19.725 ( 13.269 -2.934 0.390) 13.595 21.611 ( -2.315 12.037 -11.008) 16.475 22.403 ( -14.098 -14.261 -0.225) 20.055 23.745 ( 5.509 -1.800 3.532) 6.787 24.022 ( -0.575 4.665 5.426) 7.179 ======================= Grid point 153 (62/432) ======================= q-point: (-0.45 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -9.303 21.851 -5.346) 24.343 2.236 ( -19.554 11.565 -9.486) 24.619 3.159 ( -1.005 -11.035 0.433) 11.089 3.261 ( -6.934 -10.982 -1.988) 13.139 3.448 ( -5.950 19.251 -5.689) 20.937 3.707 ( -11.915 8.038 -2.815) 14.646 4.372 ( -10.263 -8.084 -4.650) 13.868 4.547 ( -2.129 -3.357 2.070) 4.481 5.143 ( 2.367 -16.480 -1.864) 16.753 5.258 ( -11.804 -7.892 4.976) 15.046 5.414 ( -2.924 -1.920 -2.774) 4.464 5.801 ( 3.771 2.788 -0.343) 4.702 6.132 ( -28.328 -3.471 6.419) 29.253 6.726 ( -4.825 1.736 2.732) 5.810 7.350 ( -3.389 0.997 10.797) 11.360 7.997 ( -1.408 1.800 6.118) 6.531 8.541 ( 7.818 -16.693 -6.884) 19.677 9.082 ( -6.419 2.202 6.130) 9.145 9.483 ( -6.932 -11.982 -0.084) 13.843 9.706 ( -1.019 2.419 -8.305) 8.710 11.205 ( 1.574 34.918 -0.325) 34.955 11.618 ( 9.783 3.424 2.904) 10.764 12.297 ( -5.505 8.530 0.778) 10.182 12.441 ( -5.067 4.386 4.461) 8.050 13.149 ( -4.689 1.911 -12.911) 13.868 13.215 ( 1.444 -13.769 4.297) 14.496 13.683 ( 17.055 -0.293 12.580) 21.195 15.153 ( 12.693 -14.305 3.094) 19.373 17.362 ( -4.568 -1.598 -20.458) 21.023 18.973 ( 10.342 -1.788 13.743) 17.292 19.520 ( 16.688 8.485 0.538) 18.729 19.939 ( 13.809 -1.730 2.845) 14.205 21.339 ( -3.971 7.946 -14.237) 16.781 22.284 ( -21.978 -13.783 0.215) 25.943 23.840 ( 3.078 0.239 1.514) 3.438 24.075 ( 0.597 2.682 9.709) 10.091 ======================= Grid point 154 (63/432) ======================= q-point: (-0.36 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -9.090 23.611 1.278) 25.332 1.717 ( -22.020 16.937 -11.233) 29.965 2.940 ( -15.587 38.863 -2.309) 41.936 3.251 ( -6.396 -11.090 -0.649) 12.819 3.298 ( 0.002 -15.006 4.150) 15.569 3.634 ( -2.554 -1.169 0.867) 2.940 4.309 ( -3.031 -7.355 -1.027) 8.021 4.601 ( -2.419 -3.641 6.103) 7.507 5.155 ( -14.517 -10.428 0.226) 17.876 5.253 ( -1.382 -11.947 -3.044) 12.406 5.448 ( -3.084 -9.424 2.774) 10.296 5.845 ( -4.427 0.894 4.148) 6.132 5.868 ( -18.593 -3.704 4.032) 19.382 6.703 ( -1.734 -0.279 1.369) 2.227 7.345 ( -9.085 3.360 6.307) 11.559 8.064 ( 3.985 1.789 4.005) 5.926 8.684 ( 7.907 -14.580 -8.068) 18.444 9.096 ( -3.957 -2.582 8.592) 9.806 9.492 ( -9.337 -15.153 -0.876) 17.820 9.644 ( 0.941 -1.752 -2.440) 3.148 10.899 ( -0.708 35.461 -2.411) 35.550 11.687 ( 4.353 7.968 2.246) 9.353 12.142 ( -6.876 12.438 2.264) 14.391 12.400 ( -3.146 1.719 1.683) 3.960 12.974 ( -1.909 1.499 -6.602) 7.034 13.390 ( 2.370 -12.587 1.739) 12.926 14.025 ( 14.814 0.229 9.334) 17.511 15.449 ( 11.827 -16.561 -2.689) 20.527 17.105 ( -3.175 1.402 -13.120) 13.571 19.269 ( 15.969 4.211 8.931) 18.775 19.656 ( 13.264 6.289 -1.225) 14.730 20.162 ( 13.153 3.612 5.351) 14.652 21.067 ( -3.436 3.151 -15.097) 15.800 22.080 ( -29.341 -14.461 2.649) 32.818 23.865 ( 1.989 2.141 -0.249) 2.933 24.198 ( -0.776 -1.203 11.251) 11.342 ======================= Grid point 155 (64/432) ======================= q-point: (-0.27 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -11.475 23.741 2.434) 26.481 1.295 ( -6.697 24.732 9.109) 27.194 2.429 ( -13.822 42.909 7.344) 45.674 3.271 ( -3.355 -9.818 0.192) 10.377 3.475 ( -1.270 -14.419 6.081) 15.701 3.630 ( -1.178 -0.103 1.538) 1.940 4.354 ( 2.203 -5.939 -2.686) 6.880 4.705 ( -2.378 -4.914 12.403) 13.551 5.134 ( -15.464 -18.453 9.884) 26.026 5.233 ( -5.368 -7.329 -7.083) 11.519 5.475 ( -13.171 -8.580 7.071) 17.236 5.721 ( -9.614 -4.896 6.914) 12.814 5.909 ( 2.440 2.082 1.946) 3.752 6.706 ( 0.031 -1.292 -0.490) 1.382 7.246 ( -9.312 4.643 5.306) 11.680 8.119 ( 2.746 1.649 -1.664) 3.610 8.808 ( 10.309 -9.082 -9.092) 16.475 9.211 ( -3.839 -12.650 6.761) 14.849 9.480 ( -9.752 -17.008 -0.152) 19.606 9.668 ( 0.242 -1.916 0.856) 2.113 10.560 ( -0.383 35.592 -1.973) 35.649 11.680 ( 1.129 11.040 5.704) 12.477 11.975 ( -5.829 14.511 3.292) 15.981 12.365 ( -1.635 0.714 -0.798) 1.955 12.920 ( 1.138 0.696 -1.083) 1.718 13.512 ( 1.171 -10.819 -2.266) 11.115 14.203 ( 7.534 1.375 -7.562) 10.763 15.640 ( 8.604 -15.755 -12.190) 21.699 17.075 ( 3.194 -1.871 14.743) 15.201 19.512 ( 16.333 6.239 2.790) 17.705 19.705 ( 9.893 4.090 -8.166) 13.464 20.288 ( 4.016 10.476 4.967) 12.270 20.895 ( 3.488 -1.943 -12.696) 13.310 21.869 ( -31.107 -14.055 11.206) 35.927 23.864 ( 1.471 2.130 -0.349) 2.612 24.276 ( -6.450 -2.932 4.155) 8.214 ======================= Grid point 156 (65/432) ======================= q-point: (-0.18 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 10.417 21.322 18.342) 29.993 1.208 ( 3.246 23.272 18.675) 30.015 2.093 ( -7.420 40.098 23.711) 47.171 3.328 ( 0.690 -7.586 -0.503) 7.634 3.631 ( -3.930 -10.882 6.889) 13.465 3.645 ( -0.679 -0.765 3.691) 3.830 4.390 ( 4.159 -5.983 -6.227) 9.585 4.917 ( 1.520 -9.399 14.246) 17.135 5.139 ( -14.357 -7.120 9.925) 18.850 5.206 ( -16.170 -13.534 7.876) 22.510 5.524 ( 0.135 -8.535 4.706) 9.747 5.774 ( -1.708 -1.585 6.722) 7.114 5.937 ( -0.037 -1.143 3.984) 4.144 6.710 ( -0.182 -1.629 -0.924) 1.882 7.188 ( -4.365 2.946 6.409) 8.295 8.017 ( -6.241 4.743 -9.576) 12.375 8.816 ( 5.444 1.368 -14.119) 15.193 9.346 ( -4.073 -18.540 6.680) 20.123 9.585 ( 0.025 -18.141 0.042) 18.141 9.668 ( 0.158 5.385 -0.180) 5.390 10.315 ( 5.482 27.193 3.404) 27.948 11.671 ( 1.000 13.690 6.191) 15.058 11.852 ( -5.447 10.694 8.881) 14.930 12.320 ( -0.509 0.731 -3.846) 3.947 12.945 ( 3.225 1.634 1.035) 3.760 13.532 ( -0.904 -6.588 -8.459) 10.760 13.975 ( -3.496 12.803 -20.237) 24.201 15.655 ( 2.056 -11.633 -16.029) 19.912 17.588 ( 8.961 -23.197 33.782) 41.948 19.490 ( -11.068 -3.717 -9.677) 15.165 19.788 ( 17.203 6.322 -4.696) 18.920 20.209 ( -5.430 8.150 -0.841) 9.829 20.873 ( 6.635 -0.129 -4.636) 8.095 21.860 ( -10.933 -10.926 19.368) 24.779 23.865 ( 1.212 1.295 0.214) 1.787 24.100 ( -14.772 6.136 -9.409) 18.558 ======================= Grid point 157 (66/432) ======================= q-point: (-0.09 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 6.258 22.218 15.954) 28.060 1.445 ( 6.481 18.740 23.738) 30.930 2.272 ( 19.012 21.599 39.711) 49.040 3.390 ( 3.048 -5.827 -3.108) 7.273 3.665 ( -4.660 -0.781 6.589) 8.108 3.752 ( -2.812 -8.256 6.225) 10.715 4.430 ( 4.436 -7.068 -5.786) 10.154 5.080 ( -3.886 0.263 -2.426) 4.588 5.155 ( -27.132 -11.531 27.851) 40.556 5.300 ( 16.570 -3.621 1.846) 17.061 5.577 ( -3.339 -5.660 -5.723) 8.714 5.836 ( -1.978 1.690 9.160) 9.522 6.118 ( 1.862 -17.076 11.833) 20.859 6.702 ( -3.093 -1.157 1.063) 3.469 7.220 ( 0.307 -0.076 3.179) 3.195 7.682 ( -8.730 14.140 -11.886) 20.431 8.714 ( 1.153 7.915 -1.099) 8.074 9.506 ( -3.869 -3.102 -0.449) 4.980 9.597 ( 3.422 -0.186 -0.369) 3.447 9.683 ( -0.526 -7.191 -0.404) 7.221 10.392 ( 16.447 -0.852 2.251) 16.622 11.571 ( 2.105 20.358 -0.933) 20.488 11.893 ( -7.090 -1.938 15.854) 17.475 12.252 ( 1.229 1.113 -6.688) 6.890 12.944 ( 3.483 9.002 -5.064) 10.900 13.404 ( -0.690 5.507 -4.808) 7.342 13.686 ( -4.868 4.052 -5.205) 8.198 15.527 ( -4.495 -8.164 -17.931) 20.208 18.216 ( 3.435 -26.842 18.990) 33.060 19.186 ( -19.764 -5.739 -11.722) 23.684 19.738 ( -13.127 9.248 1.215) 16.104 20.050 ( -7.221 2.166 -3.308) 8.233 21.017 ( 15.653 -3.074 1.960) 16.072 22.167 ( 12.611 -11.086 9.926) 19.505 23.668 ( -11.327 18.712 -10.940) 24.456 23.884 ( 1.603 0.288 0.890) 1.856 ======================= Grid point 161 (67/432) ======================= q-point: ( 0.27 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -2.018 -0.000 4.535) 4.964 2.981 ( -13.823 -0.000 -8.057) 15.999 3.072 ( 13.116 0.000 14.879) 19.835 3.274 ( -6.867 -0.000 -6.200) 9.252 3.403 ( -8.797 -0.000 -12.079) 14.943 4.323 ( -4.646 -0.000 3.129) 5.601 4.587 ( 8.058 0.000 -4.683) 9.320 4.665 ( 9.733 0.000 -18.850) 21.214 4.940 ( -16.169 -0.000 -3.030) 16.450 5.240 ( -5.751 -0.000 2.889) 6.436 5.635 ( -12.383 -0.000 5.531) 13.562 5.923 ( -3.490 -0.000 -6.658) 7.517 6.462 ( -17.564 -0.000 15.760) 23.599 6.970 ( -8.551 -0.000 1.856) 8.750 7.043 ( 2.578 0.000 12.312) 12.579 7.859 ( 0.800 0.000 15.447) 15.468 8.148 ( -3.316 -0.000 -4.348) 5.468 9.215 ( -5.929 -0.000 5.043) 7.784 9.579 ( -10.719 -0.000 -5.310) 11.962 10.196 ( -5.848 -0.000 -13.586) 14.791 11.010 ( 23.465 0.000 10.379) 25.658 12.088 ( 8.329 0.000 -4.013) 9.245 12.361 ( 10.391 0.000 7.465) 12.794 12.401 ( 2.421 0.000 -0.769) 2.540 12.590 ( -3.970 -0.000 14.818) 15.340 13.152 ( -0.620 -0.000 1.095) 1.258 13.730 ( -5.727 -0.000 -17.396) 18.314 14.455 ( 7.886 0.000 8.751) 11.780 17.891 ( -6.283 -0.000 -15.945) 17.138 18.467 ( -0.771 -0.000 6.595) 6.640 19.374 ( 4.471 0.000 -0.616) 4.513 19.484 ( 17.040 0.000 -3.462) 17.388 22.116 ( 1.858 0.000 -21.063) 21.145 22.152 ( -9.093 -0.000 12.630) 15.563 23.586 ( 7.480 0.000 3.572) 8.289 24.051 ( -1.355 -0.000 3.455) 3.711 ======================= Grid point 162 (68/432) ======================= q-point: (-0.64 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -5.778 10.354 -5.557) 13.095 2.701 ( -15.151 0.728 -6.234) 16.399 3.112 ( -7.440 -0.901 -6.253) 9.760 3.168 ( -9.724 -5.933 -8.230) 14.052 3.382 ( 8.124 -1.786 10.852) 13.673 4.310 ( -8.386 -2.840 5.062) 10.199 4.447 ( 0.374 14.310 -16.845) 22.106 4.633 ( -6.731 -0.102 -6.389) 9.281 4.733 ( -1.282 -13.793 -6.037) 15.111 5.174 ( -10.636 -2.541 4.596) 11.862 5.542 ( -7.898 0.735 -0.064) 7.932 5.840 ( 0.784 0.680 -3.875) 4.012 6.344 ( -24.758 -0.289 11.367) 27.244 6.847 ( -10.119 1.425 0.929) 10.261 7.230 ( 3.376 0.822 13.179) 13.630 8.019 ( -1.977 2.794 7.247) 8.014 8.127 ( 3.802 -9.579 -0.373) 10.312 9.181 ( -7.333 1.883 4.932) 9.036 9.394 ( -10.310 -4.050 -4.138) 11.825 9.963 ( -3.642 2.590 -13.494) 14.215 11.386 ( 17.776 -0.535 7.188) 19.182 12.027 ( 6.442 28.776 0.809) 29.499 12.407 ( -0.308 0.522 -0.188) 0.635 12.554 ( 0.846 -4.640 5.061) 6.918 12.719 ( -6.194 -13.784 8.550) 17.363 13.300 ( 14.695 -0.530 8.758) 17.115 13.445 ( -6.846 0.471 -16.179) 17.575 14.687 ( 11.135 -4.671 5.661) 13.336 17.616 ( -5.861 -0.684 -18.009) 18.951 18.631 ( 6.743 -1.714 13.344) 15.049 19.486 ( 13.538 4.807 2.755) 14.628 19.667 ( 15.513 -3.207 -3.599) 16.244 21.814 ( -2.646 10.558 -17.636) 20.725 22.178 ( -14.028 -11.106 4.798) 18.524 23.724 ( 5.635 -0.665 4.698) 7.366 24.074 ( -0.711 1.586 4.247) 4.588 ======================= Grid point 163 (69/432) ======================= q-point: (-0.55 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -8.028 16.671 -5.999) 19.452 2.397 ( -15.870 7.357 -7.539) 19.048 2.991 ( -5.759 -8.246 -3.477) 10.642 3.068 ( -8.685 -11.158 -2.639) 14.383 3.557 ( 3.866 0.520 5.108) 6.427 4.026 ( -11.031 20.442 -13.930) 27.085 4.247 ( -10.776 -3.770 -0.154) 11.417 4.512 ( -1.301 -0.735 -1.045) 1.824 4.851 ( 1.370 -18.219 -3.190) 18.547 5.133 ( -12.540 -5.989 7.247) 15.673 5.405 ( -6.540 0.050 -5.437) 8.505 5.839 ( 3.992 1.608 -0.620) 4.348 6.100 ( -28.756 -0.771 7.026) 29.612 6.734 ( -7.514 -0.265 0.843) 7.565 7.391 ( 1.194 3.243 10.942) 11.474 8.008 ( -0.928 -0.471 0.770) 1.295 8.302 ( 4.967 -10.446 1.937) 11.728 9.110 ( -8.441 1.663 4.264) 9.602 9.298 ( -8.455 -9.152 -2.063) 12.629 9.769 ( -0.794 3.765 -9.688) 10.425 11.632 ( 11.684 3.443 3.040) 12.554 11.838 ( 3.705 33.667 2.287) 33.948 12.377 ( -2.263 1.995 -0.417) 3.045 12.530 ( -8.167 4.834 4.538) 10.520 12.917 ( 0.249 -21.050 3.958) 21.420 13.184 ( -5.110 1.332 -12.973) 14.006 13.663 ( 17.324 -1.425 12.387) 21.345 14.938 ( 11.688 -10.102 1.139) 15.491 17.347 ( -4.953 -0.426 -16.805) 17.525 18.950 ( 12.710 -0.914 16.612) 20.936 19.661 ( 17.386 8.234 -0.372) 19.240 19.887 ( 16.264 -4.513 1.955) 16.991 21.476 ( -5.302 7.785 -18.585) 20.836 22.080 ( -20.504 -10.221 2.008) 22.998 23.839 ( 2.743 -0.207 4.568) 5.332 24.112 ( 0.410 1.632 5.388) 5.644 ======================= Grid point 164 (70/432) ======================= q-point: (-0.45 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -8.154 19.520 -1.231) 21.190 2.000 ( -15.280 16.524 -6.583) 23.449 3.035 ( -3.981 -14.903 1.638) 15.512 3.051 ( -5.669 -13.261 0.520) 14.431 3.536 ( -7.916 31.295 -5.830) 32.804 3.619 ( -2.066 -0.468 0.375) 2.151 4.186 ( -2.752 -6.768 -0.688) 7.339 4.539 ( -1.422 -3.455 3.892) 5.395 4.935 ( -8.521 -14.654 -2.580) 17.147 5.083 ( -10.216 -8.445 2.399) 13.470 5.321 ( -4.494 -5.528 0.683) 7.157 5.813 ( -24.982 -1.368 4.786) 25.473 5.889 ( 4.484 1.919 1.584) 5.128 6.678 ( -3.967 -2.305 0.148) 4.590 7.430 ( -4.057 6.759 6.536) 10.240 8.045 ( 2.961 -4.518 -0.858) 5.470 8.467 ( 4.798 -9.486 1.949) 10.808 9.057 ( -7.072 -1.996 4.169) 8.448 9.251 ( -8.749 -11.863 -2.791) 15.002 9.671 ( 1.616 3.000 -3.120) 4.620 11.529 ( 2.862 36.985 -1.817) 37.140 11.797 ( 4.784 6.241 4.507) 9.064 12.302 ( -3.814 5.908 0.021) 7.032 12.438 ( -6.623 3.275 3.172) 8.040 13.002 ( -1.391 1.374 -7.657) 7.903 13.132 ( 0.967 -18.384 1.684) 18.486 14.005 ( 12.660 -1.860 9.139) 15.724 15.176 ( 10.636 -14.859 -3.778) 18.660 17.128 ( -2.761 1.242 -10.442) 10.872 19.314 ( 14.872 1.516 13.807) 20.350 19.765 ( 14.712 6.242 -7.131) 17.500 20.202 ( 18.795 1.196 8.770) 20.775 21.129 ( -6.625 3.991 -18.863) 20.387 21.881 ( -25.507 -9.564 2.263) 27.335 23.895 ( 0.478 1.409 2.616) 3.010 24.182 ( 0.054 -0.709 6.245) 6.286 ======================= Grid point 165 (71/432) ======================= q-point: (-0.36 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -7.135 23.058 3.804) 24.435 1.691 ( -5.164 22.327 6.505) 23.822 3.048 ( -5.567 8.453 -3.500) 10.710 3.115 ( -5.465 7.078 0.927) 8.990 3.227 ( -2.225 -9.025 9.188) 13.070 3.628 ( 0.242 0.154 1.145) 1.180 4.255 ( 3.972 -5.904 -1.391) 7.251 4.616 ( -3.844 -5.467 9.802) 11.864 4.851 ( -15.574 -14.781 1.897) 21.555 5.098 ( -2.547 -8.547 -2.147) 9.173 5.335 ( -10.094 -8.056 6.963) 14.672 5.658 ( -9.158 -2.719 6.096) 11.332 5.945 ( 2.287 2.006 2.340) 3.838 6.663 ( -1.247 -3.565 -1.488) 4.060 7.353 ( -6.173 8.144 4.095) 11.009 8.101 ( 3.000 -4.319 -4.546) 6.951 8.644 ( 5.268 -9.119 3.962) 11.252 9.045 ( -5.596 -7.093 -0.402) 9.044 9.213 ( -7.459 -13.493 -1.616) 15.502 9.682 ( 2.287 2.047 3.320) 4.521 11.204 ( 1.338 39.927 -2.207) 40.011 11.831 ( 0.795 7.128 5.241) 8.883 12.191 ( -3.624 10.225 1.435) 10.942 12.379 ( -3.215 1.272 0.596) 3.509 12.941 ( 1.728 1.702 -1.113) 2.668 13.289 ( 0.713 -16.025 -1.917) 16.155 14.191 ( 4.294 -1.966 -0.943) 4.815 15.357 ( 8.073 -17.049 -9.974) 21.338 17.068 ( 2.070 0.473 4.980) 5.414 19.563 ( 4.335 1.146 4.317) 6.224 19.793 ( 17.200 5.494 -11.974) 21.666 20.463 ( 7.304 9.960 6.845) 14.121 20.864 ( 2.161 -1.717 -13.904) 14.175 21.686 ( -22.695 -8.558 8.737) 25.781 23.900 ( -0.363 2.034 1.138) 2.359 24.235 ( -3.466 -2.117 2.859) 4.967 ======================= Grid point 166 (72/432) ======================= q-point: (-0.27 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 8.487 21.471 13.860) 26.928 1.601 ( 1.169 23.236 16.144) 28.318 2.742 ( -2.432 35.207 8.279) 36.249 3.177 ( 0.400 -10.113 0.940) 10.164 3.414 ( -2.962 -13.152 9.662) 16.586 3.646 ( -0.899 -0.032 2.608) 2.759 4.294 ( 3.236 -5.225 -7.346) 9.578 4.759 ( -4.767 -8.725 14.675) 17.726 4.893 ( -14.469 -16.523 14.489) 26.312 5.124 ( 6.325 -3.369 -3.327) 7.901 5.383 ( -4.258 -8.545 5.615) 11.076 5.720 ( -1.731 -3.840 9.330) 10.237 5.957 ( -1.419 2.369 1.989) 3.403 6.666 ( 0.233 -3.630 -2.268) 4.287 7.264 ( -4.280 6.426 4.035) 8.712 8.050 ( -3.418 -0.724 -8.784) 9.453 8.800 ( 6.242 -2.486 -3.406) 7.533 9.044 ( -5.952 -16.105 3.353) 17.494 9.293 ( 1.709 -15.665 -0.081) 15.758 9.741 ( 0.518 3.552 6.121) 7.096 10.872 ( 1.612 37.547 -1.155) 37.600 11.833 ( -2.474 7.065 7.563) 10.641 12.079 ( -1.844 13.245 2.516) 13.607 12.335 ( -0.965 1.228 -2.264) 2.750 12.980 ( 4.442 2.521 3.165) 6.009 13.368 ( -0.479 -12.670 -5.521) 13.829 14.098 ( -5.226 3.033 -12.514) 13.896 15.423 ( 3.608 -15.442 -15.514) 22.184 17.328 ( 7.286 -9.485 21.967) 25.012 19.439 ( -11.570 -2.427 -13.388) 17.861 19.883 ( 13.147 5.040 -4.612) 14.816 20.322 ( -9.286 4.944 -8.048) 13.245 20.920 ( 10.954 5.622 1.953) 12.466 21.718 ( -2.758 -7.173 15.355) 17.170 23.888 ( -0.597 1.336 0.628) 1.592 24.155 ( -8.532 1.373 -4.713) 9.843 ======================= Grid point 167 (73/432) ======================= q-point: (-0.18 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.423 22.015 15.165) 27.277 1.751 ( 12.732 17.568 16.109) 27.023 2.714 ( 11.846 28.922 26.384) 40.901 3.268 ( 1.962 -8.491 -2.073) 8.958 3.572 ( -5.024 -10.074 9.442) 14.693 3.667 ( -1.713 -1.464 3.477) 4.143 4.306 ( 4.098 -7.155 -6.549) 10.529 4.961 ( -15.438 -10.891 26.007) 32.145 5.037 ( 0.162 -7.228 5.311) 8.971 5.241 ( 13.202 -2.056 0.000) 13.361 5.458 ( -1.442 -8.178 -1.205) 8.391 5.869 ( 1.323 -1.623 11.427) 11.618 5.936 ( -4.248 -2.758 4.198) 6.579 6.673 ( -0.572 -2.416 -0.809) 2.611 7.232 ( -1.825 1.967 2.225) 3.486 7.830 ( -7.515 4.964 -11.160) 14.341 8.796 ( 4.743 2.741 -4.517) 7.100 9.228 ( -3.596 -20.639 6.194) 21.847 9.483 ( 6.986 -14.613 -0.551) 16.206 9.748 ( -0.376 9.074 4.256) 10.030 10.627 ( 3.665 26.483 0.675) 26.744 11.810 ( -5.093 6.629 5.620) 10.073 11.989 ( -1.350 13.158 5.155) 14.196 12.274 ( 1.079 1.650 -6.062) 6.375 13.057 ( 6.062 5.362 1.770) 8.285 13.375 ( -0.535 -7.186 -4.655) 8.579 13.802 ( -9.201 6.865 -10.426) 15.508 15.353 ( -1.897 -12.339 -18.621) 22.418 17.824 ( 6.223 -18.973 23.048) 30.495 19.099 ( -15.894 -4.658 -16.443) 23.339 19.860 ( -7.918 5.480 1.663) 9.772 20.079 ( -8.783 1.100 -8.518) 12.284 21.046 ( 13.670 6.347 2.602) 15.294 22.029 ( 13.885 -6.571 11.811) 19.377 23.863 ( -5.376 2.900 -3.997) 7.300 23.916 ( -4.542 6.273 -5.025) 9.232 ======================= Grid point 168 (74/432) ======================= q-point: (-0.09 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 8.213 19.892 13.327) 25.313 1.946 ( 7.113 17.524 22.643) 29.502 3.109 ( 23.091 13.199 24.076) 35.875 3.333 ( 3.998 -6.315 -1.926) 7.718 3.662 ( -5.945 -4.160 11.302) 13.431 3.727 ( 0.979 -6.930 0.277) 7.004 4.367 ( 5.657 -6.423 -4.696) 9.763 5.018 ( -8.652 5.284 7.677) 12.717 5.128 ( -5.141 -4.398 7.775) 10.306 5.427 ( -1.959 -3.692 -6.697) 7.894 5.536 ( 11.332 -7.038 12.983) 18.614 5.893 ( -7.394 0.971 7.455) 10.545 6.158 ( 5.167 -12.528 11.746) 17.934 6.661 ( -4.709 -0.537 2.158) 5.208 7.161 ( -5.302 -0.147 -8.281) 9.834 7.633 ( 0.924 6.875 -2.729) 7.455 8.791 ( 0.051 5.016 2.430) 5.574 9.347 ( -5.192 -13.629 -2.097) 14.734 9.637 ( 0.037 -5.945 1.312) 6.088 9.745 ( 6.955 9.655 5.869) 13.268 10.569 ( 7.848 5.010 -0.705) 9.337 11.706 ( -3.580 10.086 -0.650) 10.722 11.938 ( -4.692 5.482 5.762) 9.234 12.225 ( 4.992 0.948 -6.001) 7.864 13.028 ( 2.959 11.866 -4.130) 12.908 13.425 ( 1.920 -3.474 2.623) 4.758 13.582 ( -6.623 2.739 -0.884) 7.222 15.158 ( -6.739 -8.674 -20.339) 23.116 18.241 ( -1.322 -17.533 13.810) 22.358 18.805 ( -6.791 -6.189 -13.003) 15.922 19.635 ( -19.795 12.414 3.645) 23.648 19.876 ( -9.179 -2.094 -6.718) 11.566 21.240 ( 14.659 -0.805 2.664) 14.921 22.375 ( 16.751 -4.592 2.898) 17.609 23.589 ( -4.670 12.449 -7.917) 15.474 23.906 ( 0.324 -1.095 1.100) 1.586 ======================= Grid point 173 (75/432) ======================= q-point: ( 0.36 -0.64 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -7.413 -0.000 -8.151) 11.018 2.460 ( -13.249 -0.000 -3.372) 13.672 2.915 ( -9.778 -0.000 -5.355) 11.148 2.952 ( -8.142 -0.000 -3.947) 9.048 3.558 ( 3.576 0.000 6.575) 7.485 4.123 ( -5.483 -0.000 -11.263) 12.526 4.367 ( -16.766 -0.000 -4.732) 17.422 4.563 ( 3.684 0.000 2.758) 4.602 4.565 ( 0.757 0.000 -7.302) 7.341 5.080 ( -13.838 -0.000 8.599) 16.292 5.406 ( -7.346 -0.000 -6.298) 9.676 5.852 ( 4.032 0.000 -0.623) 4.079 6.095 ( -29.077 -0.000 7.414) 30.007 6.730 ( -8.357 -0.000 -0.012) 8.357 7.426 ( 3.956 0.000 11.121) 11.803 7.996 ( -1.523 -0.000 -5.927) 6.120 8.215 ( 3.742 0.000 9.866) 10.552 9.140 ( -8.450 -0.000 3.732) 9.237 9.203 ( -8.922 -0.000 -2.996) 9.412 9.804 ( -1.280 -0.000 -10.024) 10.106 11.650 ( 12.427 0.000 4.739) 13.300 12.277 ( 8.098 0.000 -1.859) 8.309 12.393 ( -2.659 -0.000 0.935) 2.819 12.536 ( -2.439 -0.000 2.363) 3.396 12.636 ( -9.781 -0.000 7.959) 12.610 13.195 ( -4.956 -0.000 -13.306) 14.199 13.650 ( 17.505 0.000 12.346) 21.420 14.849 ( 11.347 0.000 0.458) 11.356 17.344 ( -4.980 -0.000 -15.703) 16.474 18.943 ( 13.406 0.000 17.504) 22.048 19.782 ( 15.003 0.000 -7.707) 16.867 19.798 ( 19.673 0.000 8.808) 21.555 21.556 ( -5.188 -0.000 -23.563) 24.127 21.981 ( -20.420 -0.000 6.021) 21.289 23.837 ( 2.698 0.000 5.524) 6.148 24.126 ( 0.232 0.000 4.104) 4.111 ======================= Grid point 175 (76/432) ======================= q-point: (-0.55 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -6.970 9.740 -2.787) 12.297 2.239 ( -10.399 9.943 -2.057) 14.534 2.819 ( -6.094 -8.799 1.068) 10.756 2.854 ( -7.412 -8.550 -1.039) 11.363 3.615 ( -1.166 -0.058 0.993) 1.533 3.926 ( -0.179 11.377 -12.129) 16.631 4.130 ( -7.269 2.168 -0.050) 7.586 4.499 ( -1.197 -0.955 -0.078) 1.533 4.700 ( -1.601 -11.332 2.562) 11.728 4.983 ( -16.850 -3.157 6.208) 18.233 5.261 ( -6.063 -1.768 -2.132) 6.666 5.801 ( -24.504 -0.237 4.191) 24.860 5.912 ( 4.315 0.727 1.468) 4.615 6.644 ( -5.015 -1.301 -0.757) 5.236 7.549 ( 1.155 5.863 6.804) 9.055 7.937 ( -0.074 -6.053 -4.713) 7.672 8.374 ( 3.184 -2.335 7.847) 8.784 9.046 ( -8.055 0.997 1.641) 8.280 9.105 ( -7.109 -5.703 -2.362) 9.415 9.713 ( 0.723 1.462 -3.663) 4.010 11.814 ( 7.342 2.201 2.830) 8.170 12.168 ( 3.175 30.428 -0.600) 30.599 12.352 ( -2.802 1.721 -0.407) 3.314 12.492 ( -8.188 1.755 3.636) 9.129 12.763 ( -0.716 -23.625 2.318) 23.749 13.026 ( -1.614 0.604 -7.531) 7.726 13.980 ( 12.005 -0.915 9.252) 15.184 14.992 ( 10.197 -6.045 -4.284) 12.605 17.143 ( -2.491 0.483 -9.494) 9.827 19.328 ( 14.288 0.389 15.750) 21.269 19.845 ( 14.434 2.765 -11.581) 18.711 20.208 ( 22.563 -0.133 12.562) 25.825 21.186 ( -8.171 2.179 -22.767) 24.287 21.766 ( -23.527 -3.806 4.016) 24.169 23.911 ( -0.347 0.479 4.758) 4.795 24.175 ( 0.409 -0.223 3.355) 3.388 ======================= Grid point 176 (77/432) ======================= q-point: (-0.45 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -4.137 19.217 5.773) 20.487 2.024 ( -4.750 16.658 4.589) 17.919 2.866 ( -4.486 -12.090 2.412) 13.119 2.917 ( -3.111 -16.022 4.456) 16.919 3.554 ( -2.942 9.466 -2.127) 10.139 3.698 ( 2.185 15.105 -3.417) 15.640 4.151 ( 4.786 -6.813 -1.262) 8.421 4.536 ( -3.193 -3.472 8.046) 9.327 4.657 ( -16.159 -8.105 -1.366) 18.129 4.963 ( 0.102 -6.909 2.697) 7.417 5.217 ( -11.964 -5.548 7.768) 15.306 5.627 ( -9.459 -1.125 4.877) 10.701 5.972 ( 2.105 1.179 2.498) 3.473 6.602 ( -1.812 -3.207 -2.259) 4.321 7.513 ( -2.995 10.538 2.907) 11.334 7.981 ( 2.708 -9.299 -4.528) 10.691 8.521 ( 0.873 -5.422 7.990) 9.695 8.971 ( -5.932 -2.035 -0.653) 6.305 9.044 ( -4.167 -6.676 -3.022) 8.430 9.716 ( 1.694 1.696 3.475) 4.222 11.822 ( 4.199 24.742 -2.644) 25.235 11.956 ( -1.191 15.961 4.390) 16.597 12.293 ( -1.504 2.456 -1.671) 3.330 12.422 ( -5.754 3.431 4.091) 7.849 12.950 ( 1.608 -12.894 -2.420) 13.217 12.987 ( 0.517 -8.327 0.165) 8.344 14.157 ( 3.040 -1.674 1.680) 3.855 15.110 ( 7.898 -11.342 -8.851) 16.412 17.079 ( 1.943 0.654 1.131) 2.342 19.572 ( 1.168 0.224 3.327) 3.533 19.869 ( 18.310 3.286 -13.300) 22.868 20.604 ( 11.371 6.379 9.094) 15.896 20.841 ( 0.076 -1.003 -15.029) 15.062 21.574 ( -19.401 -4.862 7.908) 21.508 23.929 ( -2.106 1.306 2.710) 3.672 24.206 ( -1.523 -1.282 1.352) 2.407 ======================= Grid point 177 (78/432) ======================= q-point: (-0.36 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 4.120 19.248 8.652) 21.502 1.972 ( 1.354 20.799 16.637) 26.669 2.970 ( -0.041 -10.336 3.334) 10.861 3.048 ( -3.055 -10.645 3.115) 11.505 3.416 ( 3.855 20.445 6.457) 21.784 3.649 ( -0.882 1.372 1.029) 1.928 4.217 ( 2.244 -4.258 -6.738) 8.281 4.600 ( -2.541 -15.317 0.553) 15.536 4.656 ( -9.334 -5.751 19.706) 22.550 5.067 ( 6.995 -3.236 0.435) 7.719 5.242 ( -7.991 -8.101 9.336) 14.718 5.667 ( -0.825 -2.286 8.614) 8.950 5.994 ( -1.359 1.852 2.556) 3.436 6.596 ( 0.806 -4.225 -3.008) 5.248 7.402 ( -4.081 9.833 1.747) 10.789 8.000 ( 0.147 -4.875 -7.506) 8.952 8.682 ( -2.264 -11.972 9.143) 15.234 8.891 ( -2.501 -1.464 -5.185) 5.941 9.082 ( 2.925 -9.361 -0.404) 9.816 9.791 ( 1.068 2.422 8.347) 8.757 11.520 ( 1.304 38.534 -3.616) 38.725 11.926 ( -3.781 4.375 5.314) 7.853 12.235 ( 0.107 4.714 -1.568) 4.969 12.378 ( -2.590 4.359 2.835) 5.809 13.019 ( 4.691 0.190 2.614) 5.374 13.113 ( 0.066 -16.485 -2.112) 16.619 14.112 ( -6.343 -0.478 -7.025) 9.477 15.169 ( 4.392 -13.902 -13.745) 20.037 17.230 ( 6.674 -3.208 13.463) 15.365 19.407 ( -11.407 -1.426 -16.083) 19.769 19.955 ( 12.189 3.531 -5.693) 13.908 20.374 ( -11.820 1.575 -15.250) 19.359 21.046 ( 14.655 8.791 10.627) 20.124 21.602 ( -1.090 -6.861 13.643) 15.310 23.908 ( -2.605 0.978 1.060) 2.978 24.164 ( -4.845 0.067 -3.001) 5.700 ======================= Grid point 178 (79/432) ======================= q-point: (-0.27 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 7.314 16.763 13.138) 22.519 2.055 ( 8.499 19.367 13.784) 25.245 3.083 ( 4.806 1.964 6.440) 8.272 3.129 ( 2.447 -3.130 4.862) 6.279 3.484 ( 3.374 7.083 12.945) 15.137 3.639 ( -3.552 -1.939 1.539) 4.330 4.203 ( 3.247 -4.997 -5.102) 7.845 4.788 ( 0.104 -11.789 10.514) 15.796 4.849 ( -4.900 -11.647 18.198) 22.155 5.228 ( 12.997 -1.503 -0.389) 13.090 5.317 ( -4.525 -7.295 5.046) 9.958 5.803 ( 1.463 -3.068 9.891) 10.458 5.971 ( -3.938 2.912 3.614) 6.087 6.621 ( 2.024 -3.659 -1.972) 4.623 7.295 ( -4.404 5.500 0.091) 7.046 7.880 ( -4.326 1.720 -9.612) 10.680 8.837 ( 4.085 2.424 -3.725) 6.037 8.870 ( -5.576 -21.224 6.359) 22.847 9.257 ( 8.687 -11.581 1.478) 14.552 9.871 ( -0.128 5.808 9.870) 11.453 11.173 ( 0.608 36.472 -3.401) 36.635 11.877 ( -8.376 2.643 4.281) 9.771 12.187 ( 2.401 7.378 -0.393) 7.769 12.328 ( -0.810 6.013 -1.039) 6.156 13.102 ( 3.488 -4.421 -2.669) 6.232 13.233 ( 3.439 -5.244 5.193) 8.142 13.874 ( -12.012 1.937 -9.979) 15.736 15.130 ( -0.026 -13.639 -18.022) 22.602 17.585 ( 7.913 -10.066 19.637) 23.442 19.032 ( -14.667 -3.221 -19.425) 24.553 19.932 ( -6.932 3.429 -1.102) 7.812 20.084 ( -5.533 -0.540 -12.591) 13.763 21.205 ( 10.043 11.687 6.299) 16.647 21.922 ( 13.652 -6.640 13.368) 20.228 23.872 ( -3.331 -0.121 -0.442) 3.363 24.014 ( -5.618 4.270 -6.684) 9.719 ======================= Grid point 179 (80/432) ======================= q-point: (-0.18 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 6.086 20.480 11.372) 24.203 2.201 ( 11.496 12.986 14.435) 22.564 3.178 ( 2.507 -5.956 -2.252) 6.844 3.335 ( 9.770 1.333 12.302) 15.766 3.628 ( -1.529 -4.852 -1.805) 5.398 3.639 ( 4.418 7.583 17.973) 20.001 4.279 ( 7.677 -4.090 -1.802) 8.884 5.007 ( -3.219 -9.111 13.711) 16.774 5.065 ( -3.227 -2.804 12.495) 13.206 5.344 ( -2.565 -6.717 -2.312) 7.552 5.412 ( 8.931 -4.460 6.523) 11.924 5.911 ( -3.935 0.748 3.799) 5.521 6.027 ( 5.097 -3.271 11.905) 13.357 6.649 ( 0.005 -1.203 0.051) 1.204 7.167 ( -7.088 1.175 -6.818) 9.905 7.717 ( -0.129 4.093 -4.991) 6.456 8.837 ( 1.797 0.025 -1.675) 2.457 9.039 ( -3.763 -19.701 2.346) 20.194 9.490 ( 6.830 -10.364 2.699) 12.703 9.924 ( 2.138 10.104 10.162) 14.489 10.870 ( 1.196 28.232 -3.094) 28.426 11.753 ( -12.785 -0.049 0.126) 12.786 12.152 ( 1.555 13.935 2.814) 14.301 12.247 ( 3.743 2.555 -6.763) 8.141 13.119 ( 1.865 -3.125 -4.965) 6.156 13.385 ( 2.797 1.163 5.323) 6.125 13.622 ( -8.862 1.339 -1.290) 9.054 14.985 ( -4.226 -11.694 -20.445) 23.929 17.984 ( 3.742 -12.850 16.306) 21.095 18.705 ( -8.114 -5.366 -14.919) 17.810 19.749 ( -16.403 0.490 2.227) 16.561 19.890 ( -6.817 4.619 -8.269) 11.670 21.298 ( 11.407 7.420 0.700) 13.626 22.300 ( 15.793 -4.665 8.959) 18.747 23.748 ( -4.680 6.211 -7.421) 10.749 23.896 ( -1.390 0.378 -0.855) 1.676 ======================= Grid point 180 (81/432) ======================= q-point: (-0.09 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 5.295 15.233 8.824) 18.383 2.444 ( 10.630 13.678 20.614) 26.926 3.220 ( 2.022 -5.925 -3.850) 7.350 3.481 ( -1.895 -4.101 2.696) 5.261 3.621 ( -0.832 -9.070 -6.662) 11.285 3.982 ( 19.549 7.742 21.947) 30.394 4.388 ( 8.900 -0.810 -3.315) 9.532 5.051 ( -0.348 5.180 -3.751) 6.404 5.152 ( -7.660 1.188 15.826) 17.622 5.309 ( -2.959 -3.048 -3.765) 5.676 5.695 ( -5.999 -13.757 17.862) 23.330 5.917 ( 1.944 2.241 7.806) 8.351 6.295 ( 7.053 -6.696 10.073) 14.001 6.618 ( -7.047 1.962 1.833) 7.541 6.945 ( -6.413 -0.869 -12.101) 13.722 7.729 ( 8.080 2.743 1.271) 8.627 8.805 ( -7.750 0.365 1.033) 7.827 9.161 ( -0.566 -13.994 0.297) 14.009 9.595 ( -2.129 -2.034 -0.109) 2.946 10.038 ( 9.606 8.282 10.708) 16.599 10.696 ( 4.215 13.212 -2.111) 14.028 11.561 ( -14.352 -4.672 -5.338) 16.009 12.062 ( 2.848 14.494 0.909) 14.799 12.258 ( 7.167 0.531 -3.623) 8.048 13.094 ( 0.621 5.068 -1.180) 5.240 13.297 ( -9.904 -4.542 -5.357) 12.142 13.705 ( 6.526 3.828 12.208) 14.363 14.761 ( -6.871 -8.581 -19.811) 22.657 18.173 ( -7.147 -8.176 3.745) 11.487 18.653 ( 8.406 -9.775 -4.863) 13.779 19.527 ( -20.860 11.862 5.803) 24.688 19.659 ( -6.596 -0.969 -9.294) 11.438 21.409 ( 10.117 -0.893 -0.539) 10.171 22.581 ( 12.615 -0.228 3.117) 12.997 23.571 ( 0.560 8.779 -6.127) 10.720 23.893 ( -1.362 -3.104 0.702) 3.462 ======================= Grid point 186 (82/432) ======================= q-point: ( 0.45 -0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -1.941 -0.000 9.811) 10.001 2.184 ( -5.098 -0.000 1.033) 5.201 2.743 ( -4.498 -0.000 4.601) 6.434 2.743 ( -4.295 -0.000 2.763) 5.107 3.590 ( -1.393 -0.000 -0.088) 1.396 3.925 ( 11.061 0.000 -11.864) 16.220 4.043 ( -4.069 -0.000 -1.053) 4.203 4.511 ( -1.331 -0.000 7.941) 8.052 4.586 ( -16.551 -0.000 -0.133) 16.552 4.897 ( 0.990 0.000 4.855) 4.955 5.168 ( -13.598 -0.000 8.179) 15.869 5.618 ( -9.507 -0.000 4.346) 10.453 5.982 ( 2.012 0.000 2.526) 3.230 6.573 ( -1.962 -0.000 -2.527) 3.199 7.643 ( -0.585 -0.000 1.896) 1.984 7.860 ( 1.285 0.000 -2.818) 3.097 8.473 ( -0.851 -0.000 7.304) 7.354 8.960 ( -6.437 -0.000 -0.413) 6.450 8.987 ( -2.382 -0.000 -2.711) 3.609 9.731 ( 1.437 0.000 3.307) 3.606 11.921 ( 2.576 0.000 2.908) 3.884 12.278 ( 1.071 0.000 -5.332) 5.438 12.425 ( 0.438 0.000 2.854) 2.887 12.434 ( -4.855 -0.000 1.574) 5.104 12.603 ( -3.596 -0.000 0.370) 3.615 12.987 ( 2.180 0.000 -0.432) 2.223 14.142 ( 2.698 0.000 2.398) 3.609 15.010 ( 7.897 0.000 -8.550) 11.639 17.085 ( 1.958 0.000 0.113) 1.961 19.574 ( 0.521 0.000 2.891) 2.937 19.897 ( 18.418 0.000 -13.875) 23.059 20.660 ( 14.037 0.000 10.763) 17.688 20.832 ( -1.598 -0.000 -16.128) 16.207 21.531 ( -18.794 -0.000 7.728) 20.321 23.940 ( -2.903 -0.000 3.468) 4.522 24.195 ( -0.729 -0.000 0.613) 0.952 ======================= Grid point 188 (83/432) ======================= q-point: (-0.45 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.697 9.997 3.971) 10.780 2.275 ( 1.312 13.481 19.118) 23.430 2.802 ( -0.260 -7.601 6.054) 9.721 2.818 ( -1.550 -11.669 5.749) 13.100 3.593 ( 0.869 0.852 1.177) 1.693 3.846 ( 8.221 18.637 -4.592) 20.881 4.115 ( 5.616 -9.822 -3.087) 11.728 4.377 ( -12.799 -8.146 -0.620) 15.184 4.621 ( -1.689 0.035 13.085) 13.194 5.026 ( 5.759 -1.353 2.720) 6.511 5.131 ( -9.883 -4.214 13.561) 17.301 5.643 ( 0.104 -0.647 8.017) 8.044 6.015 ( -1.277 0.616 2.719) 3.067 6.541 ( 1.232 -1.886 -3.184) 3.900 7.565 ( -4.246 7.776 -1.705) 9.023 7.906 ( 3.572 -5.200 -2.254) 6.699 8.511 ( -7.870 -6.224 5.106) 11.259 8.902 ( -0.423 1.217 -1.204) 1.764 8.977 ( 2.716 -3.377 -0.815) 4.410 9.819 ( 1.518 0.892 8.815) 8.989 11.947 ( -1.448 3.179 2.470) 4.278 12.142 ( -0.392 25.532 -4.882) 25.998 12.284 ( 0.404 6.279 -2.683) 6.840 12.447 ( -3.191 2.607 5.740) 7.066 12.720 ( -0.972 -25.499 -3.687) 25.782 13.068 ( 5.267 1.020 6.554) 8.470 14.101 ( -6.948 -0.514 -4.785) 8.452 14.997 ( 4.773 -5.698 -12.626) 14.651 17.200 ( 6.491 -0.693 9.654) 11.654 19.391 ( -11.211 -0.485 -17.569) 20.847 19.997 ( 12.535 1.319 -6.765) 14.305 20.386 ( -13.320 0.220 -18.083) 22.460 21.181 ( 19.957 5.828 16.474) 26.526 21.498 ( -4.544 -4.696 11.488) 13.217 23.919 ( -4.027 0.356 1.357) 4.264 24.163 ( -2.826 -0.085 -2.511) 3.781 ======================= Grid point 189 (84/432) ======================= q-point: (-0.36 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 7.097 10.679 7.887) 15.054 2.377 ( 3.139 18.145 15.721) 24.213 2.953 ( 3.066 -8.145 3.423) 9.352 3.005 ( 0.613 -12.284 9.541) 15.566 3.595 ( -2.612 -1.849 -0.980) 3.347 3.804 ( 11.761 21.841 5.653) 25.443 4.140 ( 0.758 -2.357 -1.311) 2.801 4.512 ( 6.434 -18.680 4.103) 20.179 4.751 ( -4.965 -1.738 16.565) 17.381 5.128 ( -2.041 -7.623 7.066) 10.592 5.277 ( 7.168 0.235 6.528) 9.698 5.773 ( 2.578 -0.820 9.360) 9.743 6.007 ( -3.490 1.380 3.415) 5.074 6.563 ( 3.704 -2.837 -2.306) 5.205 7.400 ( -6.803 6.123 -3.759) 9.894 7.913 ( 0.986 2.886 -4.864) 5.741 8.534 ( -9.405 -17.457 3.068) 20.065 8.893 ( 3.520 3.623 -0.540) 5.080 9.102 ( 7.784 -7.070 2.397) 10.785 9.944 ( 1.162 2.898 11.940) 12.342 11.786 ( 0.672 34.928 -6.218) 35.483 11.909 ( -9.789 1.597 2.132) 10.145 12.244 ( 3.793 1.484 -4.975) 6.430 12.448 ( -1.529 6.180 5.263) 8.260 12.853 ( -0.542 -21.111 -5.407) 21.799 13.246 ( 7.573 2.357 11.708) 14.142 13.883 ( -13.755 -0.314 -8.761) 16.311 14.929 ( 0.953 -9.386 -16.895) 19.351 17.472 ( 8.565 -3.971 15.919) 18.508 18.991 ( -14.061 -1.668 -21.314) 25.588 19.982 ( -7.693 2.696 -6.600) 10.488 20.064 ( -2.637 -1.665 -11.683) 12.092 21.411 ( 7.700 12.270 8.917) 17.010 21.798 ( 13.606 -8.245 14.983) 21.853 23.869 ( -4.352 -0.201 -0.346) 4.370 24.063 ( -3.887 1.788 -5.766) 7.180 ======================= Grid point 190 (85/432) ======================= q-point: (-0.27 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 8.637 12.392 12.570) 19.651 2.414 ( 6.652 14.397 6.939) 17.311 3.074 ( 4.092 -5.652 -0.399) 6.989 3.232 ( 2.984 -9.636 8.102) 12.938 3.537 ( -6.902 -5.236 -2.372) 8.982 3.915 ( 14.283 19.528 13.767) 27.836 4.228 ( 8.537 -2.037 1.787) 8.957 4.809 ( 5.499 -14.309 7.222) 16.946 4.941 ( -4.216 -8.950 19.426) 21.800 5.225 ( -5.549 -6.496 6.434) 10.696 5.416 ( 8.567 2.774 1.550) 9.138 5.917 ( 2.899 0.219 5.952) 6.624 6.014 ( -1.021 0.476 8.368) 8.444 6.620 ( 4.294 -2.049 -1.192) 4.905 7.201 ( -8.657 2.730 -7.490) 11.769 7.801 ( -0.923 6.792 -4.142) 8.009 8.619 ( -7.310 -21.704 0.040) 22.902 8.922 ( 4.627 2.272 0.890) 5.231 9.325 ( 9.018 -8.775 4.434) 13.341 10.065 ( 1.306 6.519 13.020) 14.619 11.414 ( -0.287 34.384 -6.870) 35.065 11.752 ( -14.630 0.212 -1.407) 14.699 12.239 ( 6.182 0.805 -5.390) 8.241 12.405 ( -1.076 11.292 2.659) 11.650 12.943 ( -0.169 -15.959 -4.645) 16.622 13.450 ( 3.331 4.757 7.601) 9.565 13.619 ( -10.244 -1.534 -1.199) 10.427 14.788 ( -2.694 -10.942 -20.088) 23.033 17.816 ( 6.804 -7.205 16.274) 19.054 18.632 ( -9.204 -3.366 -16.222) 18.952 19.728 ( -12.655 -1.620 -6.623) 14.375 19.963 ( -4.751 3.107 -3.706) 6.780 21.463 ( 7.852 11.217 0.666) 13.709 22.213 ( 14.106 -5.838 13.826) 20.596 23.796 ( -4.591 0.387 -2.881) 5.434 23.928 ( -1.978 2.714 -5.945) 6.827 ======================= Grid point 191 (86/432) ======================= q-point: (-0.18 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 0.473 14.679 2.394) 14.881 2.621 ( 13.450 7.699 15.000) 21.568 3.143 ( 3.517 -3.069 -2.994) 5.546 3.384 ( -0.158 -6.213 2.159) 6.579 3.477 ( -4.203 -8.402 -3.626) 10.070 4.166 ( 16.050 13.034 18.613) 27.820 4.386 ( 12.126 0.428 -1.263) 12.199 5.019 ( 0.421 -6.490 5.991) 8.842 5.167 ( -4.192 -8.001 12.154) 15.143 5.240 ( -7.243 -0.688 6.450) 9.723 5.514 ( -0.526 -4.884 7.139) 8.666 5.963 ( 0.496 3.115 6.600) 7.315 6.202 ( 6.552 -4.546 9.905) 12.716 6.654 ( 0.183 1.729 0.008) 1.739 6.952 ( -8.473 1.575 -11.969) 14.749 7.759 ( 5.350 2.028 0.165) 5.724 8.665 ( -9.716 -17.115 -2.095) 19.792 9.001 ( 4.478 -2.917 2.349) 5.838 9.533 ( 4.725 -5.147 3.164) 7.670 10.175 ( 3.481 8.036 12.058) 14.903 11.077 ( 1.799 29.139 -5.449) 29.699 11.499 ( -18.177 -2.176 -6.203) 19.329 12.256 ( 6.066 1.306 -5.785) 8.483 12.315 ( 1.007 12.646 2.225) 12.879 13.011 ( -0.778 -12.152 -3.344) 12.627 13.287 ( -11.788 0.800 -4.241) 12.553 13.773 ( 7.768 4.011 14.539) 16.965 14.595 ( -4.739 -10.786 -19.987) 23.201 18.063 ( -1.221 -5.019 7.348) 8.982 18.501 ( 3.713 -7.927 -5.579) 10.380 19.551 ( -10.747 -2.898 -1.249) 11.201 19.775 ( -11.200 8.635 -2.720) 14.402 21.463 ( 8.233 6.881 -4.506) 11.637 22.556 ( 10.959 -2.785 10.392) 15.357 23.683 ( -0.783 4.140 -5.686) 7.077 23.852 ( -1.662 -1.235 -2.531) 3.271 ======================= Grid point 192 (87/432) ======================= q-point: (-0.09 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -1.982 5.170 0.510) 5.560 2.875 ( 8.949 6.841 10.976) 15.728 3.148 ( -0.880 -4.143 -2.672) 5.008 3.394 ( -5.696 -4.632 1.608) 7.516 3.503 ( 4.956 -3.145 -3.652) 6.914 4.458 ( 4.998 2.966 -0.847) 5.874 4.494 ( 19.573 6.579 6.323) 21.595 5.041 ( -1.826 3.669 -0.830) 4.182 5.212 ( -3.651 -1.275 -0.621) 3.916 5.252 ( -5.932 1.244 11.511) 13.010 5.605 ( -14.408 -10.795 11.401) 21.310 6.102 ( 2.827 -1.672 11.653) 12.107 6.418 ( 1.144 -7.289 7.443) 10.480 6.535 ( -7.306 7.138 -1.739) 10.361 6.791 ( -0.188 -0.431 -3.255) 3.289 7.905 ( 13.717 -1.026 2.643) 14.007 8.596 ( -15.698 -9.596 -0.676) 18.411 9.133 ( 3.887 -6.553 2.980) 8.181 9.559 ( -2.482 3.382 -1.354) 4.408 10.309 ( 6.058 3.798 7.870) 10.633 10.893 ( 7.169 19.281 -0.255) 20.572 11.201 ( -17.713 -6.714 -9.763) 21.311 12.217 ( 3.263 8.613 0.257) 9.214 12.325 ( 5.078 1.526 -0.910) 5.380 13.030 ( -4.703 -10.796 -4.659) 12.664 13.144 ( -4.159 3.903 2.112) 6.082 13.963 ( 5.041 4.303 6.465) 9.259 14.427 ( -2.161 -7.064 -10.941) 13.201 18.071 ( -3.715 -1.480 -0.395) 4.018 18.666 ( 10.527 -11.029 -1.867) 15.360 19.431 ( -17.643 8.584 6.871) 20.789 19.508 ( -3.254 3.978 -7.503) 9.094 21.478 ( 7.014 -0.717 -5.129) 8.719 22.764 ( 5.895 2.404 6.013) 8.757 23.604 ( 4.182 5.598 -4.395) 8.255 23.836 ( -2.333 -4.920 -0.309) 5.454 ======================= Grid point 199 (88/432) ======================= q-point: (-0.45 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 5.855 0.000 4.816) 7.581 2.586 ( -1.194 -0.000 19.434) 19.471 2.839 ( 3.615 0.000 6.946) 7.831 2.879 ( 4.337 0.000 6.281) 7.633 3.577 ( -3.517 -0.000 -1.800) 3.951 4.053 ( 17.191 0.000 -9.333) 19.562 4.196 ( 7.215 0.000 13.421) 15.238 4.214 ( -3.907 -0.000 2.330) 4.549 4.747 ( -1.135 -0.000 10.517) 10.578 5.052 ( -7.983 -0.000 12.243) 14.615 5.280 ( 9.934 0.000 7.144) 12.236 5.767 ( 3.064 0.000 9.307) 9.798 6.018 ( -3.313 -0.000 3.218) 4.619 6.538 ( 4.235 0.000 -2.298) 4.818 7.459 ( -8.002 -0.000 -6.926) 10.583 7.956 ( 6.307 0.000 0.536) 6.330 8.361 ( -13.480 -0.000 0.394) 13.485 8.937 ( 3.290 0.000 0.472) 3.323 9.030 ( 6.971 0.000 2.429) 7.382 9.968 ( 1.756 0.000 12.391) 12.514 11.916 ( -9.217 -0.000 1.847) 9.400 12.180 ( 2.559 0.000 -7.815) 8.223 12.320 ( 2.496 0.000 -11.518) 11.785 12.498 ( -1.032 -0.000 4.310) 4.432 12.522 ( -2.327 -0.000 3.902) 4.543 13.268 ( 7.656 0.000 12.231) 14.430 13.878 ( -14.396 -0.000 -8.402) 16.668 14.846 ( 1.265 0.000 -16.380) 16.429 17.440 ( 8.723 0.000 14.517) 16.937 18.977 ( -13.842 -0.000 -21.978) 25.974 20.016 ( -13.272 -0.000 -15.201) 20.179 20.039 ( 3.475 0.000 -4.603) 5.767 21.564 ( 2.834 0.000 6.276) 6.886 21.681 ( 17.778 0.000 19.150) 26.130 23.867 ( -4.769 -0.000 -0.362) 4.783 24.077 ( -3.226 -0.000 -5.463) 6.344 ======================= Grid point 201 (89/432) ======================= q-point: (-0.36 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 12.093 3.675 8.697) 15.342 2.645 ( -3.081 10.039 5.931) 12.060 3.007 ( 7.311 -1.562 3.813) 8.392 3.073 ( 6.083 -8.115 9.159) 13.665 3.470 ( -8.790 -2.324 -3.973) 9.922 4.203 ( 20.335 2.782 -3.668) 20.849 4.219 ( 2.593 11.529 13.454) 17.907 4.560 ( 9.142 -13.663 11.435) 20.025 4.835 ( -3.042 -3.202 8.997) 10.023 5.141 ( -6.573 -3.011 15.572) 17.168 5.457 ( 8.095 1.475 2.517) 8.605 5.921 ( 4.911 0.180 8.079) 9.456 6.022 ( -3.130 0.284 5.921) 6.703 6.591 ( 6.547 -1.061 -1.792) 6.871 7.241 ( -9.412 1.476 -9.320) 13.328 7.962 ( 0.337 12.196 -1.353) 12.275 8.272 ( -9.510 -18.271 0.057) 20.598 8.972 ( 3.707 2.579 -0.059) 4.516 9.210 ( 9.581 -4.341 5.717) 11.971 10.139 ( 1.981 2.224 14.016) 14.329 11.740 ( -15.894 0.601 -3.979) 16.395 11.972 ( 1.160 26.988 -8.697) 28.379 12.239 ( 5.811 -1.389 -8.637) 10.502 12.541 ( -1.011 4.358 5.023) 6.727 12.630 ( -1.348 -18.749 0.184) 18.798 13.520 ( 2.929 3.468 9.304) 10.353 13.581 ( -11.346 -2.737 -2.235) 11.884 14.651 ( -2.070 -4.581 -19.727) 20.358 17.739 ( 8.104 -2.229 15.604) 17.724 18.594 ( -9.649 -1.133 -16.893) 19.487 19.709 ( -10.990 -0.582 -10.488) 15.202 19.994 ( -3.488 0.769 -2.556) 4.392 21.627 ( 6.463 6.632 -0.758) 9.291 22.120 ( 12.734 -4.134 18.463) 22.806 23.793 ( -5.104 -0.257 -1.515) 5.330 23.962 ( -1.571 1.130 -7.633) 7.875 ======================= Grid point 202 (90/432) ======================= q-point: (-0.27 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -5.530 8.671 -3.831) 10.975 2.714 ( 14.703 3.564 11.042) 18.730 3.130 ( 5.523 2.035 0.326) 5.895 3.296 ( 2.317 -4.150 2.978) 5.609 3.340 ( -3.804 -7.895 -0.987) 8.819 4.375 ( 2.667 9.662 21.431) 23.659 4.408 ( 23.913 3.601 -7.736) 25.390 4.884 ( 4.395 -10.114 11.673) 16.058 4.953 ( -4.334 -10.848 8.844) 14.652 5.245 ( -8.030 -0.457 14.922) 16.952 5.510 ( 0.874 1.924 -0.025) 2.113 6.018 ( -0.220 3.299 6.721) 7.490 6.137 ( 4.919 -3.417 9.006) 10.816 6.670 ( 6.850 0.278 -1.286) 6.975 6.985 ( -8.844 1.881 -11.766) 14.839 7.831 ( -2.404 7.145 0.188) 7.541 8.341 ( -6.643 -19.348 -0.902) 20.477 9.001 ( 4.052 1.359 -0.083) 4.275 9.447 ( 8.925 -4.407 6.308) 11.784 10.290 ( 1.834 5.131 12.800) 13.911 11.422 ( -16.472 2.152 -10.909) 19.874 11.652 ( -1.781 28.408 -5.066) 28.911 12.249 ( 6.757 -2.157 -6.870) 9.874 12.503 ( -2.948 8.465 2.255) 9.243 12.756 ( -2.255 -17.117 -1.162) 17.304 13.283 ( -12.989 -0.946 -4.335) 13.726 13.829 ( 8.645 2.391 16.303) 18.608 14.429 ( -3.684 -8.025 -20.479) 22.302 18.003 ( 3.647 -2.256 10.750) 11.574 18.398 ( -0.661 -4.259 -7.453) 8.610 19.511 ( -7.092 -1.618 -4.808) 8.720 19.874 ( -9.543 3.432 -0.761) 10.170 21.604 ( 7.090 8.385 -7.118) 13.086 22.495 ( 8.408 -3.908 16.682) 19.085 23.708 ( -4.543 -0.340 -2.400) 5.149 23.858 ( 1.194 1.317 -7.777) 7.977 ======================= Grid point 203 (91/432) ======================= q-point: (-0.18 0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -8.463 2.521 -8.568) 12.304 2.923 ( -0.401 -0.623 -1.332) 1.524 3.105 ( 0.805 -0.721 4.809) 4.929 3.340 ( 2.288 -0.829 3.857) 4.560 3.490 ( 10.694 0.302 1.094) 10.754 4.504 ( 7.782 2.944 -4.501) 9.459 4.620 ( 14.662 7.498 8.406) 18.489 5.054 ( -3.489 -1.621 6.827) 7.836 5.111 ( -2.843 -10.280 9.860) 14.525 5.269 ( -8.934 -0.002 9.871) 13.314 5.481 ( -7.771 -2.573 3.252) 8.808 6.089 ( 0.753 0.074 8.185) 8.219 6.321 ( 0.395 -4.400 6.739) 8.058 6.655 ( -2.569 6.904 -3.591) 8.195 6.801 ( 1.941 1.106 -3.221) 3.920 7.853 ( 5.743 -4.255 2.916) 7.720 8.366 ( -9.967 -15.064 -1.532) 18.128 9.064 ( 4.610 -2.023 1.102) 5.153 9.605 ( 3.332 1.577 2.845) 4.657 10.394 ( 2.523 5.815 8.746) 10.801 11.061 ( -16.866 -2.483 -13.511) 21.753 11.364 ( 0.955 27.444 -1.558) 27.505 12.283 ( 5.820 -0.220 -4.076) 7.108 12.393 ( -6.034 5.310 0.779) 8.075 12.824 ( -2.663 -13.848 -2.916) 14.400 13.168 ( -3.868 -0.044 2.065) 4.385 14.016 ( 0.292 1.485 0.139) 1.519 14.305 ( 4.155 -6.540 -3.437) 8.477 18.076 ( -1.008 1.888 1.668) 2.713 18.487 ( 7.828 -9.998 0.092) 12.698 19.441 ( -2.791 -0.984 1.366) 3.260 19.666 ( -13.771 8.279 -0.595) 16.079 21.529 ( 6.919 5.878 -10.256) 13.697 22.774 ( 3.826 -1.023 13.697) 14.258 23.644 ( -2.037 -1.263 -1.682) 2.929 23.793 ( 2.489 0.447 -6.548) 7.019 ======================= Grid point 204 (92/432) ======================= q-point: (-0.09 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -9.326 -6.690 -8.666) 14.381 2.761 ( -14.931 -11.165 -8.783) 20.610 3.236 ( 4.556 3.497 4.768) 7.465 3.411 ( 1.871 2.794 4.915) 5.955 3.622 ( 9.941 6.067 2.810) 11.980 4.413 ( 1.471 1.901 -18.022) 18.182 4.785 ( 2.181 4.223 7.303) 8.713 5.021 ( -4.668 1.773 -1.733) 5.286 5.218 ( 1.843 4.652 3.872) 6.327 5.264 ( -7.294 -3.261 7.708) 11.102 5.473 ( -11.782 -6.695 11.835) 17.992 6.110 ( -6.721 1.521 -6.421) 9.419 6.342 ( -2.164 -9.205 4.457) 10.454 6.642 ( -2.791 6.198 10.517) 12.523 6.858 ( 4.491 2.354 9.056) 10.379 8.091 ( 12.938 -10.402 4.042) 17.086 8.295 ( -13.499 -8.737 -1.467) 16.147 9.174 ( 4.015 -3.873 2.275) 6.025 9.563 ( -1.565 8.311 -1.782) 8.643 10.419 ( -4.588 4.893 -0.447) 6.723 10.774 ( -9.442 -9.109 -8.982) 15.900 11.221 ( 8.104 20.437 1.989) 22.075 12.255 ( -6.526 -0.419 1.668) 6.748 12.355 ( 1.943 -1.527 -1.293) 2.789 12.894 ( 3.204 -8.743 -0.521) 9.326 13.185 ( 0.251 2.361 4.855) 5.405 13.859 ( -6.608 -4.291 -14.883) 16.840 14.518 ( 11.173 2.062 12.386) 16.808 18.040 ( -0.492 2.643 -2.783) 3.869 18.683 ( 10.808 -9.559 -2.652) 14.671 19.359 ( -17.387 12.453 3.222) 21.628 19.494 ( 4.198 0.844 1.465) 4.526 21.470 ( 5.732 -0.343 -9.763) 11.327 22.908 ( -1.624 4.600 9.155) 10.374 23.649 ( 0.942 -1.948 1.486) 2.625 23.766 ( 2.297 -1.937 -4.438) 5.360 ======================= Grid point 212 (93/432) ======================= q-point: (-0.36 0.64 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -9.025 -0.000 -7.634) 11.821 2.743 ( 15.517 0.000 10.017) 18.469 3.210 ( 6.795 0.000 8.113) 10.583 3.211 ( 6.569 0.000 -0.689) 6.605 3.262 ( -6.692 -0.000 -0.951) 6.759 4.418 ( 12.758 0.000 4.560) 13.549 4.511 ( 12.157 0.000 9.014) 15.134 4.748 ( 5.114 0.000 6.460) 8.239 4.872 ( -1.607 -0.000 12.596) 12.698 5.238 ( -8.124 -0.000 16.473) 18.367 5.531 ( 0.467 0.000 -0.588) 0.751 6.061 ( -2.738 -0.000 7.116) 7.624 6.093 ( 6.447 0.000 8.538) 10.698 6.671 ( 9.561 0.000 -1.870) 9.742 7.002 ( -8.719 -0.000 -11.846) 14.709 7.961 ( -16.154 -0.000 1.005) 16.185 8.104 ( 4.694 0.000 -1.069) 4.815 9.017 ( 3.372 0.000 -1.309) 3.617 9.406 ( 10.395 0.000 7.782) 12.985 10.334 ( 1.887 0.000 13.034) 13.170 11.425 ( -19.962 -0.000 -9.890) 22.278 12.068 ( 4.108 0.000 -6.509) 7.697 12.127 ( 4.382 0.000 -13.416) 14.113 12.556 ( -2.843 -0.000 4.577) 5.388 12.580 ( -4.793 -0.000 2.793) 5.548 13.272 ( -13.290 -0.000 -4.381) 13.993 13.849 ( 8.997 0.000 16.936) 19.177 14.357 ( -3.453 -0.000 -20.853) 21.137 17.985 ( 5.611 0.000 12.182) 13.412 18.362 ( -2.502 -0.000 -8.462) 8.824 19.498 ( -5.878 -0.000 -5.883) 8.316 19.901 ( -8.743 -0.000 -0.477) 8.756 21.685 ( 7.261 0.000 -8.825) 11.428 22.455 ( 6.836 0.000 20.022) 21.157 23.701 ( -5.882 -0.000 -1.741) 6.134 23.872 ( 2.258 0.000 -9.186) 9.460 ======================= Grid point 214 (94/432) ======================= q-point: (-0.27 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -12.114 0.341 -13.672) 18.270 2.891 ( -12.029 -1.821 -7.610) 14.350 3.111 ( 6.711 0.672 9.275) 11.468 3.369 ( 6.711 3.014 6.479) 9.803 3.478 ( 15.291 -1.745 2.529) 15.597 4.560 ( 14.270 3.024 -10.657) 18.065 4.728 ( 5.586 5.914 7.724) 11.218 4.885 ( -3.271 -11.821 17.238) 21.156 5.066 ( 1.501 0.554 13.503) 13.597 5.256 ( -12.146 -0.947 9.591) 15.505 5.477 ( -5.437 0.515 -1.271) 5.607 6.097 ( -1.576 0.482 4.991) 5.256 6.269 ( 1.041 -1.678 8.121) 8.358 6.756 ( 1.547 4.752 -5.113) 7.150 6.806 ( 5.007 -1.027 -3.597) 6.250 7.792 ( -12.021 -2.291 4.280) 12.964 8.171 ( 1.392 -6.643 -1.754) 7.010 9.048 ( 4.186 -0.284 -1.308) 4.395 9.616 ( 7.755 0.119 6.116) 9.877 10.474 ( 1.919 2.905 9.234) 9.868 11.020 ( -21.835 -1.517 -13.274) 25.598 11.844 ( 3.695 27.098 -7.523) 28.365 12.205 ( 7.206 -11.521 -6.152) 14.917 12.454 ( -13.859 1.856 -0.694) 14.000 12.604 ( -3.586 -9.393 3.054) 10.508 13.168 ( -1.806 0.133 2.363) 2.977 14.011 ( -4.185 -1.149 -10.781) 11.622 14.237 ( 9.633 -1.618 7.798) 12.499 18.121 ( 1.467 2.628 3.861) 4.895 18.351 ( 5.049 -5.383 0.031) 7.380 19.431 ( 0.244 -0.216 0.282) 0.431 19.752 ( -13.127 2.362 0.877) 13.367 21.626 ( 7.144 4.077 -13.959) 16.202 22.747 ( 1.595 -1.422 19.774) 19.889 23.608 ( -6.323 -1.592 -1.235) 6.637 23.815 ( 6.052 1.046 -9.401) 11.229 ======================= Grid point 215 (95/432) ======================= q-point: (-0.18 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -14.176 -4.503 -13.943) 20.387 2.586 ( -21.373 -8.611 -9.794) 25.037 3.302 ( 7.342 3.749 5.753) 10.053 3.475 ( 4.085 4.656 5.456) 8.254 3.696 ( 13.103 2.083 2.636) 13.527 4.456 ( 1.618 3.251 -21.461) 21.766 4.798 ( -0.565 -2.768 1.881) 3.394 5.064 ( -11.049 0.376 -0.205) 11.057 5.160 ( -3.328 -1.545 22.056) 22.359 5.287 ( -2.084 0.377 11.245) 11.443 5.410 ( -4.122 -1.315 3.705) 5.696 6.125 ( -2.287 -0.074 -1.487) 2.729 6.231 ( -6.660 -3.813 -3.226) 8.324 6.758 ( 1.195 7.058 10.161) 12.429 6.903 ( 6.541 2.697 6.168) 9.386 7.822 ( -6.609 -17.305 6.642) 19.679 8.202 ( 2.267 -3.168 -3.524) 5.253 9.113 ( 5.345 -2.767 -0.142) 6.021 9.699 ( 1.749 6.366 1.318) 6.732 10.504 ( -9.853 4.877 -3.200) 11.450 10.670 ( -6.660 -4.375 -4.290) 9.050 11.606 ( 5.469 23.894 -6.017) 25.240 12.239 ( -16.849 -1.205 0.913) 16.917 12.312 ( 5.654 -3.771 -2.483) 7.235 12.706 ( 0.203 -12.933 3.607) 13.429 13.221 ( 3.343 2.090 4.885) 6.278 13.783 ( -5.871 -4.185 -16.781) 18.264 14.542 ( 12.306 0.875 15.180) 19.561 18.099 ( 0.506 3.980 -3.593) 5.385 18.530 ( 10.013 -7.961 2.457) 13.026 19.490 ( 0.175 2.312 6.059) 6.488 19.543 ( -11.643 5.246 -0.050) 12.771 21.506 ( 6.282 3.485 -15.497) 17.081 22.958 ( -2.831 1.536 17.266) 17.564 23.554 ( -6.118 -5.980 1.396) 8.668 23.792 ( 8.111 2.321 -8.218) 11.778 ======================= Grid point 216 (96/432) ======================= q-point: (-0.09 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -14.690 -12.170 -11.277) 22.160 2.301 ( -22.325 -16.416 -7.147) 28.617 3.359 ( 3.508 7.275 1.294) 8.180 3.521 ( 1.226 5.074 2.974) 6.008 3.815 ( 4.905 5.128 1.741) 7.306 4.077 ( -14.050 -1.835 -26.519) 30.067 4.786 ( -9.447 -0.603 3.922) 10.246 4.869 ( -9.778 -1.272 -6.699) 11.921 5.308 ( 1.126 2.318 8.813) 9.182 5.408 ( 3.726 5.989 11.065) 13.121 5.464 ( -4.116 -1.762 8.467) 9.578 5.912 ( -8.499 2.250 -9.960) 13.285 6.327 ( 2.558 -10.502 5.700) 12.220 6.730 ( -9.213 10.578 7.765) 16.034 7.110 ( 3.389 2.582 18.356) 18.844 7.955 ( -14.145 -18.818 6.897) 24.531 8.266 ( 13.835 -5.875 -5.349) 15.954 9.227 ( 5.837 -3.750 1.653) 7.132 9.611 ( -0.613 11.352 -2.175) 11.574 10.163 ( -17.322 -1.256 -11.335) 20.739 10.727 ( 4.387 2.568 3.242) 6.029 11.467 ( 7.916 14.396 -4.805) 17.117 12.094 ( -15.429 -7.176 4.961) 17.725 12.349 ( 1.234 -1.567 -1.818) 2.699 12.914 ( 5.494 -12.405 6.966) 15.251 13.308 ( 4.811 4.194 5.068) 8.149 13.555 ( -6.056 -3.755 -15.348) 16.922 14.867 ( 13.765 3.203 14.357) 20.146 17.989 ( 1.450 3.356 -12.905) 13.412 18.777 ( 13.884 -5.375 3.083) 15.204 19.262 ( -16.089 9.788 1.916) 18.930 19.628 ( 7.075 1.588 5.472) 9.084 21.394 ( 4.504 -1.102 -13.938) 14.689 23.014 ( -7.888 8.260 10.892) 15.782 23.604 ( -4.530 -11.028 7.137) 13.895 23.796 ( 7.722 3.222 -4.940) 9.717 ======================= Grid point 225 (97/432) ======================= q-point: (-0.27 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -15.983 -0.000 -15.556) 22.304 2.508 ( -23.768 -0.000 -10.375) 25.934 3.337 ( 8.757 0.000 6.272) 10.771 3.529 ( 3.396 0.000 6.545) 7.374 3.703 ( 14.791 0.000 1.623) 14.880 4.497 ( 3.655 0.000 -26.147) 26.401 4.753 ( -4.247 -0.000 3.761) 5.673 5.029 ( -9.021 -0.000 5.125) 10.375 5.231 ( -10.811 -0.000 26.958) 29.045 5.240 ( 1.297 0.000 11.294) 11.368 5.405 ( -0.407 -0.000 -1.429) 1.486 6.118 ( 0.477 0.000 1.497) 1.571 6.204 ( -9.502 -0.000 -7.336) 12.004 6.830 ( 4.296 0.000 12.660) 13.369 6.932 ( 9.049 0.000 1.174) 9.124 7.651 ( -15.103 -0.000 7.787) 16.992 8.175 ( 5.318 0.000 -3.267) 6.242 9.089 ( 5.294 0.000 -1.586) 5.527 9.754 ( 4.084 0.000 2.962) 5.045 10.561 ( -22.460 -0.000 -13.616) 26.265 10.620 ( 4.934 0.000 6.972) 8.541 11.879 ( 3.288 0.000 -17.156) 17.468 12.226 ( 8.770 0.000 2.476) 9.112 12.245 ( -17.925 -0.000 1.777) 18.013 12.564 ( -4.725 -0.000 6.745) 8.235 13.243 ( 4.588 0.000 4.883) 6.700 13.743 ( -4.877 -0.000 -17.516) 18.182 14.549 ( 12.337 0.000 16.067) 20.258 18.143 ( 0.668 0.000 -5.368) 5.410 18.453 ( 9.677 0.000 5.703) 11.232 19.505 ( 5.545 0.000 4.790) 7.327 19.591 ( -15.741 -0.000 1.817) 15.846 21.543 ( 6.463 0.000 -18.215) 19.327 22.969 ( -3.466 -0.000 21.805) 22.079 23.499 ( -7.246 -0.000 -0.540) 7.266 23.813 ( 8.704 0.000 -8.635) 12.260 ======================= Grid point 226 (98/432) ======================= q-point: (-0.18 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -18.759 -4.598 -11.523) 22.490 2.086 ( -26.938 -7.525 -9.404) 29.508 3.464 ( 5.817 3.913 2.332) 7.388 3.600 ( 0.118 3.442 4.304) 5.513 3.854 ( 5.610 0.170 0.349) 5.623 4.066 ( -16.556 0.012 -31.008) 35.152 4.754 ( -4.891 -1.715 3.931) 6.505 4.842 ( -13.485 -1.538 -4.989) 14.460 5.356 ( 0.520 3.612 11.865) 12.413 5.428 ( -6.403 -2.573 15.650) 17.104 5.485 ( 7.077 2.321 7.114) 10.300 5.955 ( -9.044 2.210 -9.601) 13.373 6.189 ( 3.749 -5.134 2.855) 6.969 6.941 ( -3.289 13.746 8.875) 16.690 7.110 ( 2.836 -4.211 16.019) 16.804 7.633 ( -11.413 -14.196 7.963) 19.880 8.211 ( 7.522 -1.461 -5.603) 9.493 9.160 ( 6.516 -2.678 -0.880) 7.099 9.775 ( 0.607 5.932 -0.270) 5.969 10.150 ( -17.951 -0.319 -11.175) 21.147 10.774 ( 7.460 1.773 5.945) 9.703 11.682 ( 4.479 7.609 -16.404) 18.629 12.047 ( -18.580 2.271 7.803) 20.280 12.325 ( 2.503 -1.284 -1.873) 3.380 12.685 ( -0.132 -11.443 11.331) 16.104 13.363 ( 6.074 2.112 4.691) 7.960 13.505 ( -3.759 -1.858 -15.476) 16.034 14.900 ( 13.941 0.878 15.444) 20.823 18.035 ( 2.678 1.665 -15.178) 15.502 18.701 ( 12.971 -2.761 8.371) 15.682 19.385 ( -16.441 3.980 1.713) 17.003 19.651 ( 6.976 0.849 5.871) 9.157 21.397 ( 4.972 0.603 -18.557) 19.221 23.136 ( -6.639 5.529 19.721) 21.530 23.436 ( -6.801 -7.432 2.810) 10.459 23.836 ( 7.919 1.306 -5.418) 9.684 ======================= Grid point 227 (99/432) ======================= q-point: (-0.09 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -20.281 -10.829 -5.358) 23.607 1.767 ( -25.783 -19.645 -4.444) 32.718 3.348 ( -23.813 0.174 -28.431) 37.086 3.525 ( 0.520 4.765 -0.736) 4.849 3.612 ( -6.375 2.863 2.443) 7.403 3.850 ( -4.183 1.263 -1.366) 4.578 4.662 ( -6.708 -2.336 -5.680) 9.095 4.723 ( -6.548 1.286 3.237) 7.417 5.433 ( -7.356 2.688 7.166) 10.616 5.511 ( 2.516 1.787 6.099) 6.835 5.594 ( 6.796 1.477 0.646) 6.985 5.781 ( -5.958 5.171 2.785) 8.366 6.363 ( 5.255 -8.481 5.791) 11.536 6.789 ( -12.844 18.303 7.535) 23.595 7.352 ( -2.836 -0.204 19.896) 20.098 7.707 ( -12.113 -18.303 6.285) 22.831 8.298 ( 11.353 -8.817 -6.254) 15.676 9.297 ( 8.104 -6.442 1.814) 10.510 9.674 ( -0.855 12.397 -3.302) 12.858 9.863 ( -9.921 0.346 -6.850) 12.061 10.880 ( 4.563 8.334 3.971) 10.298 11.524 ( 5.692 3.454 -14.049) 15.547 11.928 ( -18.404 -2.448 13.561) 22.991 12.320 ( -0.004 -1.618 -1.656) 2.315 12.957 ( 1.531 -16.409 12.671) 20.788 13.300 ( -1.767 -0.877 -13.804) 13.944 13.482 ( 5.997 2.986 4.298) 7.959 15.239 ( 14.973 2.747 12.977) 20.003 17.829 ( 4.998 3.046 -26.870) 27.501 19.002 ( 13.451 -3.642 8.157) 16.148 19.157 ( -12.503 6.984 1.553) 14.406 19.796 ( 6.657 0.884 5.209) 8.499 21.255 ( 3.058 -1.990 -15.790) 16.206 23.095 ( -11.743 13.744 9.257) 20.310 23.559 ( -2.121 -12.869 11.045) 17.091 23.875 ( 3.540 1.746 2.329) 4.583 ======================= Grid point 237 (100/432) ======================= q-point: (-0.18 -0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -23.285 -0.000 -1.137) 23.313 1.578 ( -29.610 -0.000 -7.656) 30.584 3.346 ( -30.568 -0.000 -34.595) 46.165 3.574 ( 4.828 0.000 1.848) 5.170 3.646 ( -6.361 -0.000 5.197) 8.214 3.853 ( -3.630 -0.000 -2.094) 4.191 4.638 ( -7.191 -0.000 -4.070) 8.263 4.732 ( -4.333 -0.000 2.436) 4.971 5.461 ( -10.579 -0.000 7.150) 12.769 5.524 ( 5.197 0.000 7.657) 9.254 5.598 ( 5.018 0.000 -1.237) 5.168 5.842 ( -5.407 -0.000 6.064) 8.125 6.281 ( 7.325 0.000 4.387) 8.538 7.100 ( 3.099 0.000 -0.301) 3.114 7.200 ( -18.052 -0.000 28.585) 33.808 7.530 ( -8.714 -0.000 6.253) 10.725 8.230 ( 7.777 0.000 -6.459) 10.110 9.229 ( 7.379 0.000 0.230) 7.383 9.794 ( -0.519 -0.000 -1.439) 1.530 9.869 ( -8.629 -0.000 -6.910) 11.055 10.952 ( 7.951 0.000 4.970) 9.377 11.541 ( 2.995 0.000 -17.838) 18.088 11.958 ( -18.622 -0.000 15.895) 24.483 12.305 ( -0.204 -0.000 -2.312) 2.321 12.776 ( -0.732 -0.000 12.884) 12.905 13.293 ( -2.105 -0.000 -13.593) 13.755 13.507 ( 6.187 0.000 4.134) 7.441 15.261 ( 14.993 0.000 13.478) 20.161 17.856 ( 6.761 0.000 -28.096) 28.898 18.967 ( 10.638 0.000 9.851) 14.498 19.222 ( -11.802 -0.000 1.102) 11.853 19.804 ( 5.934 0.000 4.973) 7.743 21.240 ( 3.586 0.000 -17.659) 18.019 23.309 ( -7.794 -0.000 0.833) 7.839 23.351 ( -5.768 -0.000 23.679) 24.371 23.891 ( 3.585 0.000 1.321) 3.821 ======================= Grid point 238 (101/432) ======================= q-point: (-0.09 -0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -27.120 -1.782 8.508) 28.478 1.222 ( -28.097 -19.969 0.264) 34.471 2.489 ( -43.036 -4.214 -31.026) 53.221 3.610 ( -5.385 3.500 4.479) 7.830 3.644 ( 3.752 3.343 3.121) 5.915 3.743 ( -8.053 -0.649 -2.351) 8.414 4.566 ( -1.497 0.692 -0.045) 1.649 4.683 ( -4.634 0.362 0.004) 4.649 5.345 ( -9.578 0.254 2.089) 9.806 5.650 ( 2.612 2.015 2.817) 4.338 5.680 ( 4.894 -0.623 5.269) 7.218 5.834 ( -4.501 5.041 3.917) 7.811 6.459 ( 7.615 -3.812 5.191) 9.974 6.910 ( -11.883 30.256 7.806) 33.430 7.458 ( -12.288 -13.002 1.699) 17.970 7.486 ( -8.250 -13.871 25.821) 30.450 8.297 ( 9.269 -7.382 -4.405) 12.642 9.378 ( 8.244 -6.177 3.677) 10.938 9.703 ( -1.341 9.681 -4.845) 10.908 9.757 ( -0.715 1.173 -3.437) 3.701 11.057 ( 4.803 8.590 2.767) 10.224 11.391 ( 3.652 -2.832 -17.342) 17.947 11.918 ( -21.245 9.487 26.781) 35.476 12.299 ( 1.067 -2.186 -0.021) 2.433 12.962 ( -2.044 -13.545 10.886) 17.497 13.145 ( 1.118 -5.789 -9.232) 10.954 13.617 ( 5.286 1.292 2.968) 6.198 15.580 ( 14.157 1.416 9.282) 16.987 17.541 ( 7.657 2.331 -42.371) 43.120 18.996 ( -10.455 -1.381 0.339) 10.552 19.306 ( 12.560 0.745 7.957) 14.888 19.920 ( 4.182 -0.567 3.782) 5.667 21.102 ( 2.760 -1.148 -14.012) 14.327 23.148 ( -11.226 15.015 4.538) 19.289 23.607 ( 1.877 -9.042 13.631) 16.464 23.985 ( -4.679 -0.327 18.946) 19.518 ======================= Grid point 249 (102/432) ======================= q-point: (-0.09 -0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -29.665 -0.000 4.421) 29.993 0.781 ( -31.719 -0.000 25.053) 40.419 1.529 ( -53.289 -0.000 -19.313) 56.681 3.600 ( -7.982 -0.000 -2.153) 8.267 3.623 ( -3.358 -0.000 4.160) 5.346 3.747 ( 2.932 0.000 4.148) 5.079 4.606 ( -3.628 -0.000 -3.039) 4.732 4.620 ( -0.308 -0.000 9.920) 9.925 5.336 ( -2.093 -0.000 11.330) 11.522 5.655 ( -5.312 -0.000 -2.660) 5.941 5.793 ( 3.252 0.000 3.082) 4.480 5.800 ( -2.151 -0.000 -2.175) 3.059 6.595 ( 7.403 0.000 2.813) 7.920 7.122 ( 1.378 0.000 -1.351) 1.930 7.212 ( -13.226 -0.000 5.455) 14.306 7.626 ( -12.321 -0.000 42.013) 43.782 8.330 ( 7.742 0.000 -2.333) 8.086 9.487 ( 5.389 0.000 3.093) 6.213 9.693 ( -2.954 -0.000 -1.376) 3.259 9.725 ( 6.622 0.000 -8.490) 10.767 11.176 ( 0.769 0.000 -25.719) 25.730 11.178 ( 3.532 0.000 1.130) 3.708 12.234 ( -11.310 -0.000 49.258) 50.539 12.308 ( 2.766 0.000 -0.036) 2.767 12.954 ( -2.450 -0.000 2.535) 3.525 12.986 ( -1.946 -0.000 -4.692) 5.079 13.706 ( 3.557 0.000 1.503) 3.861 15.821 ( 10.448 0.000 3.219) 10.933 17.095 ( -0.465 -0.000 -38.333) 38.336 18.846 ( -7.982 -0.000 -2.417) 8.340 19.538 ( 9.147 0.000 6.547) 11.248 19.989 ( 1.636 0.000 2.617) 3.086 20.998 ( 3.808 0.000 -10.738) 11.393 23.142 ( -7.285 -0.000 2.602) 7.736 23.734 ( 6.811 0.000 2.052) 7.114 24.288 ( -5.526 -0.000 50.096) 50.400 ======================= Grid point 250 (103/432) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -6.576 -0.000 28.127) 28.886 1.355 ( 11.274 0.000 28.777) 30.906 2.312 ( -8.127 -0.000 47.839) 48.524 3.406 ( 0.095 0.000 -3.536) 3.537 3.756 ( 0.521 0.000 5.853) 5.877 3.955 ( -2.675 -0.000 3.355) 4.291 4.436 ( 4.436 0.000 -3.080) 5.400 4.991 ( 4.405 0.000 -11.028) 11.875 5.240 ( 1.614 0.000 10.840) 10.959 5.566 ( -2.943 -0.000 -9.413) 9.863 5.827 ( -11.272 -0.000 14.282) 18.194 6.179 ( -11.791 -0.000 12.537) 17.210 6.727 ( -0.915 -0.000 2.706) 2.857 7.016 ( -1.516 -0.000 -8.465) 8.600 7.075 ( -22.255 -0.000 2.487) 22.394 7.403 ( -10.064 -0.000 18.979) 21.482 8.606 ( 3.774 0.000 10.252) 10.925 9.290 ( -0.237 -0.000 -7.154) 7.158 9.708 ( -7.537 -0.000 -4.564) 8.811 9.832 ( 0.506 0.000 4.610) 4.637 10.311 ( 18.159 0.000 7.542) 19.663 11.140 ( -0.570 -0.000 -4.548) 4.583 12.151 ( -1.270 -0.000 -9.989) 10.069 12.307 ( -5.396 -0.000 13.967) 14.973 12.588 ( -0.117 -0.000 -6.867) 6.868 13.259 ( 4.736 0.000 5.707) 7.417 13.669 ( -1.072 -0.000 -3.875) 4.021 15.531 ( -2.035 -0.000 -19.534) 19.640 18.564 ( 5.772 0.000 -7.023) 9.091 19.488 ( 13.717 0.000 -2.517) 13.947 19.646 ( -12.880 -0.000 -3.341) 13.307 19.811 ( 8.882 0.000 -8.721) 12.447 20.948 ( 19.004 0.000 0.163) 19.004 22.980 ( -53.381 -0.000 -5.459) 53.659 23.231 ( -5.314 -0.000 6.764) 8.602 23.829 ( 5.012 0.000 -1.335) 5.187 ======================= Grid point 251 (104/432) ======================= q-point: ( 0.09 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.668 -5.789 27.909) 28.552 1.778 ( 5.990 -4.880 24.358) 25.554 2.880 ( 12.123 -5.052 36.112) 38.426 3.371 ( 3.078 1.925 -4.996) 6.176 3.816 ( -1.107 0.902 6.422) 6.578 3.928 ( -2.684 2.478 -0.279) 3.664 4.444 ( 3.632 4.560 -2.886) 6.505 4.869 ( -2.257 -3.711 -13.079) 13.782 5.373 ( -1.381 0.520 6.242) 6.414 5.441 ( -1.845 -0.028 -4.767) 5.111 5.836 ( -16.004 0.735 24.395) 29.185 6.150 ( -11.952 2.327 16.671) 20.644 6.659 ( -7.639 10.494 3.867) 13.543 6.833 ( 1.968 9.735 1.632) 10.065 7.067 ( -5.335 -9.265 -4.438) 11.575 7.543 ( -8.769 -4.864 20.401) 22.732 8.761 ( -0.392 -0.760 10.893) 10.927 9.299 ( 3.996 -7.316 -0.298) 8.342 9.567 ( -2.619 0.529 -6.287) 6.831 9.851 ( -1.540 2.455 1.425) 3.229 10.606 ( 20.759 15.148 4.155) 26.032 11.154 ( 0.219 -20.149 -4.287) 20.601 12.038 ( 2.704 -0.222 -10.738) 11.076 12.325 ( -3.950 13.974 7.143) 16.183 12.602 ( -1.333 -16.669 0.204) 16.724 13.412 ( 7.174 -1.030 5.641) 9.184 13.594 ( -3.078 0.208 -4.117) 5.145 15.222 ( -6.217 3.157 -21.408) 22.515 18.573 ( 10.213 5.142 -4.912) 12.445 19.143 ( -21.551 14.249 -10.580) 27.917 19.469 ( -15.952 -13.656 -6.320) 21.930 19.927 ( 5.514 -1.299 -5.510) 7.902 21.225 ( 18.385 4.299 7.381) 20.272 22.456 ( -14.923 7.633 -1.140) 16.800 23.292 ( -5.328 -10.943 2.617) 12.449 23.884 ( 4.984 -0.117 -0.818) 5.052 ======================= Grid point 252 (105/432) ======================= q-point: ( 0.18 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 6.307 -4.750 24.144) 25.402 2.191 ( 7.591 -10.285 21.528) 25.037 3.305 ( 3.926 4.719 -2.420) 6.598 3.422 ( 9.743 -5.681 11.758) 16.293 3.789 ( -0.412 7.867 -6.929) 10.492 3.945 ( 2.991 -1.109 11.044) 11.496 4.371 ( 1.240 6.308 -5.723) 8.607 4.768 ( -1.428 -10.683 -9.666) 14.478 5.339 ( -8.771 0.545 6.091) 10.693 5.413 ( -6.016 -0.850 6.316) 8.764 5.981 ( -4.171 -0.324 16.269) 16.798 6.234 ( -6.773 4.740 24.952) 26.286 6.518 ( -7.684 3.837 0.501) 8.604 6.819 ( 0.602 6.523 3.350) 7.357 6.980 ( -5.507 2.354 -2.291) 6.412 7.691 ( -7.538 -2.029 18.456) 20.039 8.842 ( -5.791 -2.940 7.040) 9.578 9.373 ( -3.253 0.832 0.708) 3.432 9.594 ( 8.159 -7.129 -0.167) 10.836 9.822 ( 2.031 1.431 1.922) 3.142 10.660 ( 7.789 14.537 -1.499) 16.560 11.377 ( 7.235 -21.044 -0.080) 22.253 11.951 ( 2.876 3.688 -11.046) 11.996 12.203 ( -0.261 8.483 -1.736) 8.663 12.781 ( -1.382 -16.958 6.956) 18.382 13.466 ( -4.042 3.506 -3.549) 6.421 13.608 ( 7.351 -2.961 5.140) 9.446 14.852 ( -7.854 4.817 -20.062) 22.077 18.608 ( -2.039 11.726 -1.082) 11.951 18.664 ( -3.036 7.200 -12.559) 14.791 19.310 ( -16.486 -16.839 -6.090) 24.340 19.837 ( -8.960 1.213 -3.700) 9.769 21.481 ( 13.654 10.510 9.423) 19.639 22.351 ( 5.007 -3.555 -5.688) 8.371 23.333 ( -2.462 -7.684 0.219) 8.072 23.934 ( 4.009 0.848 -0.488) 4.126 ======================= Grid point 253 (106/432) ======================= q-point: ( 0.27 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 5.110 -0.608 17.969) 18.691 2.629 ( 9.342 -11.982 17.754) 23.367 3.231 ( 2.384 6.501 -5.656) 8.941 3.559 ( -4.430 -2.709 1.500) 5.405 3.597 ( -0.725 9.366 -10.306) 13.945 4.158 ( 13.036 1.801 -5.370) 14.214 4.351 ( 5.037 -4.002 5.912) 8.737 4.773 ( -0.055 -13.350 -5.748) 14.535 5.296 ( -8.688 0.759 5.599) 10.364 5.439 ( -8.630 -1.560 12.008) 14.870 6.014 ( -8.350 1.076 5.661) 10.145 6.321 ( -9.492 2.328 1.756) 9.930 6.536 ( -2.738 -0.209 23.870) 24.028 6.807 ( -0.976 8.134 5.650) 9.952 6.877 ( -4.723 7.268 5.459) 10.244 7.819 ( -0.814 -0.156 12.431) 12.459 8.815 ( -13.950 -6.638 3.652) 15.875 9.317 ( -3.474 3.141 1.892) 5.052 9.603 ( 0.277 6.974 -2.603) 7.449 10.088 ( 14.917 -9.586 9.463) 20.098 10.611 ( 1.816 2.563 -2.658) 4.115 11.496 ( -3.104 5.221 -7.045) 9.302 11.885 ( 8.971 -5.733 -2.401) 10.914 12.196 ( 7.755 1.155 -2.908) 8.362 12.972 ( -2.623 -14.639 6.768) 16.340 13.311 ( -7.015 6.336 -3.100) 9.948 13.798 ( 8.359 -4.303 2.652) 9.769 14.513 ( -5.838 4.617 -14.143) 15.982 18.264 ( -11.112 8.387 -6.933) 15.553 18.691 ( 11.088 4.494 -6.767) 13.745 19.201 ( -11.205 -15.538 -3.979) 19.565 19.644 ( -12.911 0.892 -1.606) 13.042 21.583 ( 7.887 15.256 2.782) 17.397 22.477 ( 10.047 -11.624 -2.340) 15.541 23.376 ( 1.735 -5.420 -0.982) 5.775 23.958 ( 2.332 2.784 -0.013) 3.631 ======================= Grid point 254 (107/432) ======================= q-point: ( 0.36 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -2.822 6.416 8.972) 11.385 2.948 ( 2.912 -1.659 5.470) 6.415 3.189 ( 2.763 -0.017 1.033) 2.950 3.435 ( 3.612 2.958 -7.296) 8.662 3.482 ( -8.866 -1.130 0.905) 8.984 4.144 ( 10.397 1.873 -15.674) 18.902 4.592 ( 8.910 -8.617 2.980) 12.748 4.860 ( 0.894 -13.081 0.404) 13.118 5.204 ( -11.618 0.722 2.297) 11.865 5.461 ( -10.148 -1.507 9.461) 13.956 5.916 ( -12.553 2.985 5.080) 13.867 6.134 ( -10.558 -0.605 -7.315) 12.858 6.718 ( -5.197 0.753 10.322) 11.581 6.780 ( -3.010 12.139 10.289) 16.195 6.967 ( -1.677 2.819 26.488) 26.690 7.963 ( 9.103 -0.009 2.483) 9.435 8.692 ( -20.548 -6.407 5.777) 22.285 9.274 ( -4.630 1.689 2.913) 5.725 9.523 ( 2.418 8.454 -2.016) 9.021 10.338 ( 1.140 -2.655 -0.447) 2.924 10.721 ( 10.471 -11.654 5.249) 16.523 11.185 ( -5.577 19.483 -10.213) 22.693 12.131 ( 12.565 -6.566 3.727) 14.659 12.280 ( 8.189 -1.636 -0.858) 8.394 13.093 ( -5.810 -5.540 2.551) 8.424 13.138 ( -3.751 4.156 1.119) 5.709 13.852 ( -0.991 -1.375 -10.090) 10.231 14.405 ( 5.701 -1.732 1.609) 6.172 18.037 ( -6.031 2.174 -7.317) 9.728 18.677 ( 5.441 1.704 -8.177) 9.968 19.198 ( -4.460 -10.728 0.747) 11.642 19.495 ( -7.746 -1.612 0.216) 7.915 21.523 ( 5.608 14.581 -5.286) 16.492 22.697 ( 5.141 -13.597 3.096) 14.863 23.452 ( 6.547 -3.692 -1.610) 7.686 23.948 ( 0.505 5.178 1.193) 5.338 ======================= Grid point 255 (108/432) ======================= q-point: (-0.55 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -12.262 13.238 1.745) 18.128 2.849 ( -11.312 9.858 -1.153) 15.049 3.213 ( 0.659 -0.955 -1.590) 1.968 3.427 ( -1.358 -3.132 -0.645) 3.474 3.557 ( 5.722 -10.296 2.842) 12.117 4.037 ( 4.816 5.045 -15.567) 17.059 4.754 ( 4.247 -8.288 -2.331) 9.600 4.926 ( -7.636 -2.192 -2.953) 8.476 5.116 ( -5.834 -11.402 4.119) 13.453 5.420 ( -7.981 -0.637 4.734) 9.301 5.783 ( -13.871 1.814 5.813) 15.148 5.931 ( -8.766 0.392 -5.014) 10.106 6.686 ( -5.237 6.954 5.649) 10.377 6.789 ( -4.008 4.721 9.407) 11.262 7.268 ( -5.296 -1.464 31.433) 31.910 8.076 ( 11.983 0.144 -8.276) 14.564 8.558 ( -18.503 -1.024 11.196) 21.651 9.236 ( -5.718 -1.017 3.121) 6.593 9.487 ( 4.431 5.718 -1.594) 7.407 10.222 ( -12.604 -5.572 -9.245) 16.594 10.885 ( 2.851 21.030 -4.230) 21.640 11.067 ( 12.117 -8.972 6.151) 16.284 12.283 ( 6.752 0.650 -2.610) 7.268 12.432 ( 2.529 0.472 8.987) 9.348 13.005 ( 3.108 6.045 0.386) 6.808 13.211 ( -0.712 -6.920 4.260) 8.157 13.636 ( -7.663 2.537 -12.133) 14.573 14.641 ( 13.079 -7.706 6.387) 16.470 17.846 ( -5.535 -1.298 -14.164) 15.263 18.693 ( 7.174 -1.439 -0.307) 7.324 19.222 ( -8.555 -7.123 3.608) 11.702 19.508 ( 5.564 -3.402 0.673) 6.557 21.385 ( 5.293 12.207 -11.068) 17.307 22.875 ( -3.585 -13.974 5.272) 15.359 23.568 ( 10.234 -1.968 -1.939) 10.600 23.925 ( -0.537 6.755 4.760) 8.281 ======================= Grid point 256 (109/432) ======================= q-point: (-0.45 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -18.588 15.048 3.151) 24.122 2.528 ( -18.440 15.339 -1.390) 24.026 3.248 ( 1.315 -4.780 -0.173) 4.961 3.422 ( -2.916 -3.588 -4.485) 6.441 3.629 ( -2.811 -4.226 -8.054) 9.519 3.875 ( -4.448 3.466 -0.994) 5.726 4.727 ( -9.816 -0.258 -6.672) 11.872 4.773 ( -5.571 -5.445 -1.789) 7.993 5.261 ( 2.460 -12.300 2.945) 12.885 5.442 ( 0.442 -4.818 3.955) 6.250 5.656 ( -12.764 -0.272 3.223) 13.167 5.804 ( -6.234 0.185 0.511) 6.258 6.623 ( -4.556 4.532 2.928) 7.062 6.793 ( -7.880 2.509 9.675) 12.727 7.539 ( -9.874 -4.477 27.076) 29.166 8.070 ( 2.324 -0.185 -7.580) 7.930 8.496 ( -3.641 8.371 7.106) 11.569 9.230 ( -5.692 -7.018 3.589) 9.722 9.497 ( 6.036 4.095 -1.884) 7.533 9.968 ( -12.263 -1.150 -7.893) 14.629 10.764 ( 2.700 9.900 -1.641) 10.392 11.317 ( 9.690 -2.676 2.792) 10.433 12.283 ( 1.012 2.797 -3.296) 4.440 12.454 ( -7.806 8.846 10.771) 15.975 13.105 ( 13.056 1.996 -3.051) 13.556 13.330 ( 2.429 -6.265 4.529) 8.103 13.403 ( -6.602 3.925 -2.114) 7.967 14.967 ( 15.521 -9.579 4.546) 18.797 17.578 ( -5.915 -1.547 -20.992) 21.865 18.883 ( 9.728 -4.521 7.831) 13.281 19.194 ( -7.185 -2.553 3.312) 8.314 19.666 ( 10.371 -3.976 1.650) 11.229 21.207 ( 5.028 9.951 -15.082) 18.755 22.955 ( -10.714 -14.557 4.389) 18.600 23.667 ( 9.025 1.953 -4.373) 10.217 23.978 ( 1.060 3.716 13.515) 14.057 ======================= Grid point 257 (110/432) ======================= q-point: (-0.36 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -22.600 13.707 9.531) 28.098 2.103 ( -22.671 17.043 -2.201) 28.448 3.007 ( -22.035 14.852 -11.187) 28.832 3.452 ( 2.853 -8.888 4.737) 10.468 3.562 ( -5.143 -6.281 0.053) 8.118 3.815 ( -7.143 -2.617 1.052) 7.679 4.568 ( -6.820 -2.309 -3.563) 8.034 4.723 ( -4.361 -2.891 -0.169) 5.235 5.418 ( 1.950 -8.129 1.877) 8.568 5.516 ( -3.860 -2.678 1.904) 5.069 5.601 ( -0.625 -8.276 2.238) 8.596 5.761 ( -4.405 -1.206 2.301) 5.114 6.562 ( -4.563 -0.580 -0.150) 4.602 6.770 ( -11.314 0.178 10.516) 15.448 7.679 ( -14.975 -4.683 17.185) 23.270 8.006 ( -3.131 1.788 0.277) 3.616 8.469 ( 7.782 13.026 -0.536) 15.184 9.297 ( -4.030 -12.353 4.741) 13.832 9.523 ( 7.161 3.373 -3.430) 8.627 9.794 ( -4.235 5.377 -0.483) 6.862 10.725 ( -2.283 -5.579 -3.066) 6.762 11.420 ( 5.182 5.025 0.428) 7.231 12.195 ( -6.090 4.011 -0.260) 7.297 12.410 ( -5.719 6.589 9.196) 12.676 13.056 ( -1.545 0.185 -10.926) 11.036 13.417 ( 5.523 1.741 7.334) 9.345 13.527 ( 9.640 2.221 7.764) 12.576 15.291 ( 16.438 -10.033 0.658) 19.269 17.260 ( -5.979 -0.014 -20.400) 21.258 19.073 ( -3.746 -4.606 1.872) 6.225 19.240 ( 10.359 2.946 9.449) 14.327 19.852 ( 9.791 -2.866 2.173) 10.430 21.011 ( 4.566 7.303 -16.784) 18.865 22.958 ( -15.257 -16.783 3.616) 22.968 23.681 ( 7.330 5.013 -4.732) 10.063 24.188 ( 1.648 -1.250 19.758) 19.866 ======================= Grid point 258 (111/432) ======================= q-point: (-0.27 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -23.764 12.139 15.336) 30.778 1.595 ( -29.239 13.447 -6.155) 32.766 2.440 ( -32.280 23.461 8.803) 40.864 3.538 ( -4.829 -6.210 -0.708) 7.898 3.645 ( 1.359 -8.204 7.398) 11.131 3.751 ( -6.626 -2.180 0.237) 6.980 4.509 ( -4.129 -5.742 -2.142) 7.390 4.730 ( 0.402 -0.489 5.584) 5.620 5.445 ( -5.136 -1.919 7.273) 9.108 5.565 ( -4.584 -10.571 -6.362) 13.161 5.657 ( 1.806 -7.391 -2.158) 7.909 5.793 ( 2.275 1.479 5.843) 6.442 6.525 ( -4.338 -7.821 -1.450) 9.061 6.754 ( -12.046 -4.444 10.442) 16.550 7.616 ( -19.060 0.009 9.430) 21.265 8.000 ( -0.614 1.368 4.783) 5.012 8.473 ( 13.171 11.853 -5.049) 18.425 9.429 ( -0.519 -9.812 6.038) 11.533 9.545 ( 6.393 -0.290 -5.600) 8.504 9.725 ( 1.613 12.252 2.493) 12.606 10.708 ( -10.446 -19.746 -5.911) 23.108 11.399 ( 2.503 11.618 0.748) 11.908 12.088 ( -9.713 -1.738 2.945) 10.297 12.397 ( -4.902 2.074 5.615) 7.737 12.940 ( -1.786 -0.736 -4.823) 5.196 13.548 ( 7.436 2.044 0.690) 7.742 13.679 ( 11.056 12.006 3.245) 16.640 15.555 ( 14.766 -9.406 -4.948) 18.194 17.040 ( -2.660 0.896 -0.219) 2.816 19.004 ( -1.722 5.372 -3.590) 6.687 19.492 ( 10.215 0.812 9.114) 13.714 20.002 ( 6.792 0.416 2.795) 7.356 20.836 ( 5.298 3.146 -16.221) 17.352 22.946 ( -18.072 -21.316 5.052) 28.399 23.687 ( 7.909 4.641 -4.070) 10.033 24.458 ( -0.294 -5.825 18.522) 19.418 ======================= Grid point 259 (112/432) ======================= q-point: (-0.18 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -31.172 11.431 -1.007) 33.217 1.100 ( -20.886 13.819 17.655) 30.641 2.090 ( -33.594 19.063 36.781) 53.337 3.503 ( -5.249 -4.646 -1.514) 7.171 3.679 ( -4.057 0.330 0.744) 4.137 3.814 ( 0.325 -6.449 7.012) 9.532 4.464 ( -2.153 -4.869 -5.824) 7.891 4.882 ( 2.843 -1.723 13.211) 13.623 5.347 ( -8.706 -3.227 -16.569) 18.993 5.593 ( 1.699 -4.736 11.635) 12.676 5.750 ( 2.682 -3.966 0.633) 4.830 5.864 ( 1.363 1.324 5.620) 5.933 6.565 ( -1.364 -12.503 0.052) 12.577 6.781 ( -12.834 -15.916 8.134) 22.004 7.476 ( -17.854 2.496 11.530) 21.400 8.019 ( -1.334 1.877 -1.826) 2.939 8.466 ( 14.082 12.114 -10.315) 21.247 9.514 ( 2.692 3.092 -2.445) 4.773 9.580 ( 5.014 -2.885 -3.277) 6.648 9.711 ( 3.645 7.460 7.770) 11.371 10.567 ( -26.032 -21.538 -10.847) 35.485 11.327 ( 2.696 14.741 -0.090) 14.986 12.082 ( -9.089 -14.395 6.319) 18.159 12.357 ( -4.892 -0.092 -0.209) 4.897 12.896 ( -0.200 1.158 -2.860) 3.092 13.458 ( 5.274 24.398 -15.725) 29.501 13.702 ( 3.592 2.190 -1.034) 4.332 15.704 ( 9.712 -7.731 -9.501) 15.632 17.402 ( 22.004 -11.628 39.819) 46.957 18.886 ( 6.049 14.857 -5.653) 17.008 19.668 ( 3.517 -2.112 4.718) 6.253 20.072 ( 2.113 5.471 2.717) 6.463 20.738 ( 8.740 -0.901 -14.434) 16.898 22.979 ( -18.730 -26.864 7.680) 33.638 23.716 ( 8.060 3.219 -3.528) 9.369 24.597 ( -10.182 -7.972 -1.769) 13.052 ======================= Grid point 260 (113/432) ======================= q-point: (-0.09 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 3.412 7.311 29.453) 30.538 0.980 ( -15.428 10.909 22.831) 29.636 2.059 ( -30.372 8.003 47.938) 57.311 3.452 ( -3.252 -1.921 -2.222) 4.382 3.679 ( 0.741 0.070 4.048) 4.116 3.920 ( -1.557 -3.078 5.549) 6.534 4.427 ( 1.710 -2.919 -5.113) 6.131 5.059 ( 2.468 -0.431 -2.219) 3.346 5.119 ( -3.329 -0.825 2.335) 4.149 5.688 ( -2.059 -3.616 -5.508) 6.903 5.787 ( -2.329 3.179 8.543) 9.408 6.045 ( 7.187 -2.027 11.993) 14.128 6.667 ( 1.948 -6.409 1.236) 6.811 6.888 ( -13.289 -34.405 3.307) 37.031 7.390 ( -14.694 3.106 14.630) 20.966 7.697 ( -17.871 20.840 -19.055) 33.418 8.468 ( 8.081 5.443 2.091) 9.965 9.417 ( -0.478 5.842 -7.259) 9.330 9.682 ( 5.184 -7.596 1.457) 9.311 9.825 ( 6.462 10.250 6.726) 13.859 10.216 ( -26.180 -12.502 -2.101) 29.088 11.227 ( 1.880 11.450 -2.665) 11.905 12.198 ( -6.465 -15.234 6.794) 17.890 12.273 ( -3.665 0.197 -4.337) 5.682 12.750 ( -0.790 14.113 -9.122) 16.823 13.202 ( 1.051 10.538 1.073) 10.644 13.707 ( 0.988 -0.259 -2.646) 2.836 15.704 ( 3.705 -4.167 -14.847) 15.859 18.408 ( 20.716 -30.970 12.871) 39.420 18.918 ( 40.611 24.433 9.139) 48.267 19.724 ( -5.344 -7.942 -0.290) 9.577 20.001 ( -3.947 9.673 -2.993) 10.867 20.764 ( 14.566 -1.787 -8.519) 16.969 23.079 ( -17.605 -30.749 7.689) 36.256 23.748 ( 5.361 3.480 -4.299) 7.703 24.072 ( -44.461 11.432 -21.431) 50.663 ======================= Grid point 262 (114/432) ======================= q-point: ( 0.09 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 7.746 0.000 28.279) 29.321 2.091 ( 4.470 0.000 22.643) 23.080 3.349 ( 11.971 0.000 15.785) 19.811 3.370 ( 4.914 0.000 -6.084) 7.820 3.868 ( -1.965 -0.000 -6.492) 6.783 3.923 ( 4.474 0.000 10.085) 11.033 4.459 ( 1.716 0.000 -4.994) 5.281 4.644 ( -3.632 -0.000 -13.057) 13.553 5.355 ( -12.992 -0.000 10.127) 16.473 5.394 ( -2.305 -0.000 2.235) 3.211 5.978 ( -4.815 -0.000 15.949) 16.660 6.273 ( -6.282 -0.000 25.495) 26.257 6.545 ( -12.013 -0.000 -3.563) 12.530 6.888 ( 3.879 0.000 -2.237) 4.478 7.004 ( -4.081 -0.000 2.778) 4.937 7.667 ( -11.212 -0.000 25.490) 27.847 8.809 ( -9.891 -0.000 7.845) 12.625 9.367 ( -0.705 -0.000 4.978) 5.027 9.531 ( 13.199 0.000 -2.978) 13.531 9.845 ( -0.247 -0.000 -1.241) 1.266 10.901 ( -6.747 -0.000 -8.179) 10.603 11.087 ( 24.839 0.000 6.600) 25.701 11.982 ( 7.527 0.000 -11.860) 14.047 12.354 ( -1.718 -0.000 -9.091) 9.252 12.560 ( -4.964 -0.000 15.872) 16.630 13.499 ( -4.508 -0.000 -3.783) 5.885 13.580 ( 8.764 0.000 5.299) 10.242 14.892 ( -8.972 -0.000 -19.944) 21.869 18.679 ( 13.588 0.000 -7.338) 15.443 18.813 ( -20.868 -0.000 -10.511) 23.366 19.106 ( -17.106 -0.000 -3.219) 17.406 19.847 ( -7.898 -0.000 -4.334) 9.009 21.588 ( 16.760 0.000 11.401) 20.270 22.313 ( -0.910 -0.000 -9.479) 9.523 23.261 ( -0.397 -0.000 2.574) 2.604 23.941 ( 4.772 0.000 -0.548) 4.803 ======================= Grid point 263 (115/432) ======================= q-point: ( 0.18 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 9.329 3.920 24.287) 26.311 2.432 ( 5.167 -9.568 20.025) 22.788 3.330 ( 2.650 4.269 -6.947) 8.574 3.507 ( -0.234 -2.640 -0.352) 2.674 3.722 ( -1.960 4.388 -10.710) 11.739 4.167 ( 15.602 -0.623 2.390) 15.797 4.365 ( 1.020 6.017 -4.463) 7.561 4.552 ( -1.015 -12.163 -7.067) 14.104 5.321 ( -10.415 1.842 11.102) 15.333 5.406 ( -7.232 -1.940 7.881) 10.871 6.022 ( -6.726 0.098 5.578) 8.739 6.335 ( -11.157 0.058 -5.358) 12.377 6.539 ( -4.578 0.305 28.969) 29.331 6.920 ( 3.138 4.902 2.082) 6.182 6.968 ( -4.604 2.191 5.660) 7.618 7.812 ( -10.527 -0.321 23.771) 25.999 8.694 ( -16.660 -5.234 0.127) 17.463 9.341 ( -4.024 0.579 1.320) 4.274 9.759 ( 8.037 10.175 1.640) 13.070 9.926 ( 15.252 -9.697 7.441) 19.546 10.678 ( -7.217 3.341 -8.658) 11.757 11.496 ( 19.877 -2.748 6.278) 21.025 11.907 ( 6.343 4.305 -13.714) 15.711 12.249 ( 3.624 4.762 -3.455) 6.910 12.717 ( -5.262 -12.613 11.583) 17.914 13.385 ( -5.981 2.337 -2.501) 6.892 13.748 ( 8.952 -1.524 1.780) 9.254 14.563 ( -8.684 1.425 -14.587) 17.036 18.414 ( -14.071 7.763 -10.966) 19.456 18.713 ( 4.541 -2.111 -10.663) 11.781 18.994 ( -4.300 -6.936 2.570) 8.556 19.655 ( -12.625 0.345 -3.816) 13.193 21.851 ( 9.955 14.253 9.207) 19.673 22.265 ( 6.173 -12.067 -9.622) 16.623 23.308 ( 2.776 -2.268 1.067) 3.740 23.989 ( 3.647 0.951 -0.116) 3.771 ======================= Grid point 264 (116/432) ======================= q-point: ( 0.27 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 1.846 8.855 14.717) 17.274 2.835 ( 8.024 -10.786 16.672) 21.416 3.218 ( -1.825 3.150 -6.119) 7.120 3.448 ( -6.059 -1.764 -4.480) 7.739 3.524 ( -1.409 5.146 -10.926) 12.159 4.196 ( 9.245 4.860 -12.813) 16.530 4.466 ( 10.239 -6.115 -1.095) 11.976 4.624 ( 0.400 -13.945 0.522) 13.960 5.252 ( -11.270 4.575 4.342) 12.915 5.416 ( -10.103 -3.786 8.830) 13.942 5.946 ( -10.705 0.980 2.492) 11.035 6.128 ( -10.180 -0.181 -6.456) 12.056 6.729 ( -5.829 0.899 13.820) 15.025 6.957 ( 0.338 7.785 7.508) 10.821 7.023 ( -5.792 3.299 23.161) 24.101 7.952 ( -1.665 -0.987 13.453) 13.591 8.514 ( -19.761 -11.291 -0.588) 22.767 9.308 ( -3.826 2.034 3.419) 5.519 9.698 ( 0.141 10.065 -1.709) 10.210 10.315 ( 8.007 -0.089 2.377) 8.353 10.539 ( 4.500 -9.451 0.097) 10.469 11.561 ( 5.660 22.983 -7.010) 24.686 12.014 ( 16.553 -7.031 5.084) 18.689 12.277 ( 7.442 1.003 -1.982) 7.766 12.882 ( -4.548 -14.739 7.923) 17.341 13.249 ( -6.918 5.147 -0.778) 8.658 13.820 ( 2.884 -1.798 -8.857) 9.487 14.381 ( -0.552 -1.156 -2.301) 2.633 18.091 ( -8.360 3.881 -11.679) 14.878 18.637 ( -2.710 -5.569 -7.033) 9.372 19.092 ( 6.110 -2.031 2.205) 6.805 19.471 ( -8.849 -1.258 -2.394) 9.253 21.805 ( 4.683 18.502 -4.882) 19.700 22.444 ( 4.614 -16.636 1.966) 17.376 23.398 ( 6.591 -2.464 0.745) 7.076 24.014 ( 1.980 2.678 0.805) 3.427 ======================= Grid point 265 (117/432) ======================= q-point: (-0.64 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -7.498 13.766 3.638) 16.092 2.982 ( -6.555 6.121 -1.095) 9.035 3.215 ( 0.565 -1.107 2.314) 2.626 3.348 ( -3.566 -7.834 0.087) 8.608 3.410 ( 1.419 -3.666 -5.462) 6.730 4.127 ( 8.114 5.872 -12.174) 15.765 4.601 ( 5.912 -9.041 -4.949) 11.882 4.771 ( -0.242 -14.930 2.100) 15.079 5.058 ( -14.776 3.591 -0.754) 15.225 5.393 ( -8.872 -2.723 4.009) 10.109 5.809 ( -12.605 1.310 2.569) 12.931 5.943 ( -8.194 0.675 -3.914) 9.106 6.733 ( -7.546 2.275 6.020) 9.917 6.945 ( -3.585 9.326 8.064) 12.840 7.251 ( -8.714 -0.556 30.649) 31.869 8.069 ( 7.826 -0.854 -4.025) 8.842 8.398 ( -19.734 -13.989 8.889) 25.771 9.278 ( -4.856 3.968 4.987) 8.012 9.598 ( -0.547 5.823 -2.258) 6.270 10.149 ( -10.969 -1.821 -11.886) 16.276 10.922 ( 18.260 -7.192 9.892) 21.978 11.339 ( 5.682 29.694 -3.552) 30.440 12.290 ( 9.484 0.086 -1.297) 9.573 12.412 ( 10.045 -2.532 9.545) 14.086 13.027 ( -1.406 -10.992 5.596) 12.414 13.127 ( -4.021 4.078 0.683) 5.767 13.655 ( -5.889 0.050 -13.707) 14.918 14.510 ( 10.100 -7.353 3.650) 13.015 17.833 ( -6.491 -0.340 -15.512) 16.819 18.627 ( 0.742 -5.542 1.165) 5.711 19.178 ( 1.823 1.345 2.351) 3.265 19.443 ( 4.771 -4.367 -1.251) 6.588 21.618 ( 3.371 15.141 -11.230) 19.150 22.630 ( -3.311 -15.073 4.689) 16.129 23.535 ( 9.377 -1.800 1.491) 9.664 24.019 ( 0.593 4.355 2.764) 5.192 ======================= Grid point 266 (118/432) ======================= q-point: (-0.55 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -13.574 17.113 0.467) 21.848 2.731 ( -16.024 8.890 -4.196) 18.799 3.184 ( -0.788 -2.863 -1.229) 3.213 3.368 ( -1.483 -3.231 -0.706) 3.624 3.507 ( 0.635 -8.899 -1.074) 8.986 3.994 ( -1.412 9.400 -8.372) 12.666 4.643 ( -4.180 -9.720 -2.654) 10.909 4.728 ( -13.293 0.168 -5.230) 14.286 5.022 ( 2.817 -14.844 1.892) 15.227 5.364 ( -3.632 -4.280 1.967) 5.949 5.664 ( -12.352 0.991 1.812) 12.523 5.821 ( -5.535 1.344 -0.095) 5.697 6.649 ( -10.756 1.448 3.407) 11.376 6.902 ( -6.982 7.121 8.258) 12.948 7.472 ( -11.522 -3.225 26.975) 29.509 8.058 ( 2.893 -1.119 -8.574) 9.118 8.445 ( -7.082 -11.091 8.221) 15.516 9.227 ( -5.844 4.772 5.104) 9.110 9.555 ( 1.344 1.340 -1.122) 2.205 9.888 ( -11.362 -4.960 -10.714) 16.385 11.118 ( 5.602 27.725 -2.230) 28.374 11.287 ( 13.888 0.428 7.634) 15.853 12.326 ( 4.172 2.180 -3.818) 6.061 12.588 ( -4.011 6.302 12.057) 14.184 13.126 ( 6.971 -0.706 -3.432) 7.802 13.197 ( 4.514 -8.054 6.125) 11.080 13.434 ( -6.375 -0.167 -5.370) 8.336 14.784 ( 14.157 -11.635 1.522) 18.388 17.555 ( -6.415 -1.139 -19.155) 20.232 18.781 ( 4.764 -6.435 9.275) 12.253 19.209 ( 3.533 3.558 2.567) 5.633 19.592 ( 11.912 -4.904 -0.516) 12.893 21.392 ( 2.408 11.784 -14.847) 19.108 22.708 ( -10.959 -14.616 3.547) 18.609 23.684 ( 8.952 0.287 1.092) 9.023 24.043 ( 0.431 3.724 7.676) 8.543 ======================= Grid point 267 (119/432) ======================= q-point: (-0.45 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -16.601 18.116 4.833) 25.043 2.336 ( -21.499 11.131 -7.440) 25.327 3.230 ( -1.294 1.443 0.089) 1.940 3.328 ( -3.944 0.482 0.034) 3.973 3.461 ( -7.411 -4.030 -2.804) 8.890 3.796 ( -9.720 1.784 -0.337) 9.888 4.518 ( -10.570 -3.762 -5.033) 12.297 4.644 ( -2.968 -6.102 0.704) 6.822 5.219 ( 4.456 -15.006 0.154) 15.654 5.422 ( 0.430 -8.855 0.817) 8.903 5.512 ( -12.553 -0.680 0.767) 12.594 5.778 ( -1.785 2.027 3.560) 4.469 6.516 ( -15.086 -2.192 2.144) 15.394 6.837 ( -9.537 4.454 7.903) 13.163 7.604 ( -13.917 -3.666 18.628) 23.539 8.016 ( 1.432 -0.559 -4.111) 4.389 8.532 ( 1.413 -5.563 0.228) 5.744 9.189 ( -4.965 0.901 6.320) 8.087 9.560 ( 2.607 1.003 -2.335) 3.641 9.748 ( -7.620 -10.229 -1.817) 12.884 10.906 ( 1.718 25.852 -3.496) 26.143 11.496 ( 9.415 4.076 4.757) 11.308 12.279 ( -0.430 4.953 -3.440) 6.046 12.543 ( -9.784 8.565 10.237) 16.549 13.064 ( -0.963 0.631 -12.532) 12.585 13.324 ( 1.120 -9.194 2.567) 9.611 13.580 ( 14.209 1.175 12.034) 18.657 15.084 ( 15.679 -14.176 -2.605) 21.297 17.262 ( -5.777 0.299 -17.310) 18.251 19.002 ( 3.556 -3.664 8.340) 9.779 19.306 ( 11.122 4.770 5.404) 13.254 19.796 ( 13.487 -3.917 0.314) 14.048 21.146 ( 1.211 8.597 -16.948) 19.043 22.682 ( -17.136 -15.808 2.102) 23.409 23.760 ( 6.449 4.215 -1.639) 7.876 24.170 ( 0.810 -0.870 14.451) 14.500 ======================= Grid point 268 (120/432) ======================= q-point: (-0.36 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -17.469 17.955 11.558) 27.589 1.820 ( -26.617 13.441 -9.273) 31.227 2.893 ( -19.360 28.662 4.808) 34.921 3.419 ( -6.510 -8.038 0.128) 10.345 3.467 ( 0.506 -12.412 7.638) 14.582 3.709 ( -5.642 -2.607 -0.113) 6.216 4.411 ( -5.764 -6.211 -3.014) 8.994 4.695 ( 0.339 -3.570 4.768) 5.966 5.341 ( -2.602 -14.895 -6.723) 16.548 5.404 ( -9.774 -3.833 5.619) 11.908 5.519 ( 3.037 -8.628 0.213) 9.149 5.823 ( 1.778 2.053 6.150) 6.723 6.357 ( -20.524 -8.449 3.743) 22.508 6.773 ( -7.941 2.282 5.664) 10.017 7.588 ( -17.059 -1.930 10.261) 20.001 8.020 ( 3.482 0.185 -1.066) 3.647 8.579 ( 7.116 0.435 -5.001) 8.708 9.258 ( -2.791 -7.612 9.151) 12.226 9.547 ( 2.672 1.199 -3.104) 4.268 9.792 ( -4.530 -11.839 3.857) 13.250 10.647 ( -4.297 19.145 -5.866) 20.480 11.580 ( 5.419 9.637 3.955) 11.742 12.159 ( -5.341 7.582 -1.070) 9.336 12.463 ( -7.681 5.245 5.869) 10.997 12.930 ( -1.159 -0.215 -6.209) 6.320 13.451 ( 3.298 -9.237 -0.309) 9.813 13.862 ( 15.231 6.457 5.831) 17.540 15.348 ( 14.834 -14.969 -7.987) 22.537 17.057 ( -2.835 1.173 -3.344) 4.538 19.101 ( 6.788 5.817 0.668) 8.964 19.511 ( 10.039 1.418 6.717) 12.162 20.006 ( 13.504 0.032 2.715) 13.775 20.902 ( 0.817 4.569 -17.331) 17.942 22.597 ( -22.240 -19.313 3.046) 29.613 23.771 ( 5.829 5.296 -2.369) 8.224 24.369 ( -1.938 -4.898 14.919) 15.821 ======================= Grid point 269 (121/432) ======================= q-point: (-0.27 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -22.987 17.905 0.644) 29.145 1.374 ( -15.948 18.246 16.278) 29.193 2.510 ( -24.007 29.093 21.829) 43.580 3.403 ( -5.580 -7.257 -0.268) 9.158 3.656 ( -1.159 -8.887 3.963) 9.799 3.678 ( -2.035 -3.624 4.687) 6.265 4.366 ( -1.848 -6.270 -5.982) 8.861 4.835 ( 1.668 -3.915 10.892) 11.694 5.257 ( -6.259 -8.046 -12.199) 15.898 5.476 ( -1.707 -8.906 10.571) 13.928 5.651 ( 2.186 -7.779 3.744) 8.906 5.894 ( 1.105 2.122 5.048) 5.586 6.240 ( -25.185 -17.162 9.467) 31.913 6.723 ( -4.032 0.391 1.479) 4.313 7.476 ( -17.440 -0.820 9.274) 19.769 8.052 ( 2.651 1.062 -1.407) 3.184 8.597 ( 10.971 4.056 -9.613) 15.140 9.402 ( -1.228 -13.523 2.141) 13.746 9.566 ( 3.741 3.003 3.103) 5.713 9.853 ( -5.716 -8.835 2.199) 10.750 10.349 ( -10.978 11.888 -5.392) 17.056 11.586 ( 4.244 14.831 4.017) 15.940 12.024 ( -7.475 5.082 3.720) 9.774 12.387 ( -5.118 2.784 0.820) 5.884 12.894 ( 0.670 -0.476 -1.175) 1.434 13.528 ( 2.671 -6.866 -6.496) 9.822 13.920 ( 9.292 14.309 -10.094) 19.824 15.521 ( 10.608 -13.884 -11.977) 21.184 17.223 ( 9.035 -8.706 24.053) 27.128 19.139 ( 15.926 14.066 -3.432) 21.523 19.630 ( 1.889 -2.189 -0.807) 3.002 20.186 ( 8.445 7.604 6.815) 13.251 20.720 ( 4.888 -1.032 -16.156) 16.911 22.521 ( -26.224 -24.935 7.222) 36.900 23.779 ( 5.831 4.336 -2.265) 7.612 24.478 ( -9.773 -6.145 5.101) 12.621 ======================= Grid point 270 (122/432) ======================= q-point: (-0.18 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.288 17.178 23.358) 29.085 1.248 ( -11.457 18.645 19.032) 29.002 2.319 ( -23.147 22.170 36.828) 48.822 3.390 ( -3.109 -5.326 -1.382) 6.320 3.678 ( 0.840 -0.399 3.030) 3.169 3.822 ( -2.284 -8.217 7.247) 11.191 4.344 ( 2.005 -6.339 -6.408) 9.233 5.026 ( 2.178 -4.048 9.878) 10.895 5.099 ( -2.705 -1.522 -7.215) 7.855 5.607 ( -1.505 -5.832 -1.637) 6.242 5.829 ( 1.624 -1.275 10.798) 10.994 5.981 ( 4.798 -4.862 9.213) 11.469 6.198 ( -33.202 -28.606 16.319) 46.765 6.709 ( 0.601 -1.671 -0.664) 1.896 7.387 ( -15.248 -1.140 10.683) 18.653 7.956 ( -5.812 8.729 -9.197) 13.948 8.577 ( 9.929 5.766 -7.519) 13.725 9.515 ( 2.142 -12.440 0.155) 12.624 9.573 ( 0.649 10.052 -2.411) 10.358 9.880 ( -12.782 -21.065 1.058) 24.663 10.094 ( -0.938 19.354 3.782) 19.743 11.515 ( 3.175 20.161 0.332) 20.412 12.019 ( -5.372 -3.874 11.032) 12.868 12.295 ( -3.678 2.000 -3.929) 5.741 12.887 ( 1.285 3.273 -2.796) 4.492 13.429 ( 1.185 7.310 -13.917) 15.764 13.751 ( 1.027 8.956 -5.477) 10.549 15.571 ( 4.607 -11.340 -15.367) 19.646 17.901 ( 16.585 -27.454 24.825) 40.559 19.264 ( 31.487 16.768 -2.170) 35.740 19.584 ( -7.095 -7.705 -7.991) 13.174 20.190 ( -3.483 11.288 1.781) 11.946 20.720 ( 13.414 -2.649 -7.525) 15.608 22.510 ( -28.269 -30.407 11.761) 43.151 23.798 ( 5.525 2.961 -2.005) 6.581 24.235 ( -24.831 5.897 -9.976) 27.402 ======================= Grid point 271 (123/432) ======================= q-point: (-0.09 0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -5.709 14.700 23.456) 28.265 1.429 ( 12.052 8.619 26.520) 30.379 2.431 ( -6.925 13.773 44.238) 46.847 3.378 ( -0.095 -3.305 -3.320) 4.685 3.749 ( 0.674 -0.864 5.120) 5.236 3.910 ( -3.262 -5.230 4.465) 7.611 4.380 ( 4.442 -6.114 -4.131) 8.612 5.007 ( 4.358 1.683 -9.565) 10.645 5.226 ( 1.876 -2.003 12.213) 12.517 5.544 ( -3.423 -2.459 -7.228) 8.367 5.854 ( -12.895 2.585 12.149) 17.904 6.119 ( -16.257 -7.558 14.415) 23.004 6.414 ( -5.216 -31.765 15.654) 35.795 6.745 ( 1.102 -2.917 1.129) 3.317 7.311 ( -11.215 1.583 0.714) 11.349 7.605 ( -11.260 18.518 0.620) 21.681 8.636 ( 5.816 2.694 5.233) 8.275 9.406 ( -0.434 12.837 -5.349) 13.913 9.634 ( -1.152 -8.618 -2.608) 9.077 9.826 ( -8.267 -5.788 3.347) 10.632 10.219 ( 16.412 -1.865 6.303) 17.680 11.356 ( 1.555 21.113 -2.546) 21.322 12.160 ( -3.626 -9.421 11.913) 15.614 12.163 ( -2.462 1.450 -8.787) 9.240 12.769 ( 0.323 12.894 -5.768) 14.129 13.314 ( 3.912 5.473 1.155) 6.826 13.670 ( -1.500 0.924 -3.591) 4.000 15.468 ( -1.368 -7.306 -19.523) 20.890 18.402 ( 7.937 -17.549 1.854) 19.350 19.401 ( -15.606 -11.836 -10.682) 22.310 19.592 ( 24.533 3.579 -2.691) 24.938 19.997 ( -3.895 12.457 -5.774) 14.272 20.906 ( 15.743 -3.574 2.201) 16.293 22.535 ( -26.507 -27.629 9.569) 39.465 23.632 ( -21.280 23.404 -6.648) 32.323 23.839 ( 3.868 1.247 -1.167) 4.229 ======================= Grid point 274 (124/432) ======================= q-point: ( 0.18 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -0.724 -0.000 13.973) 13.992 2.666 ( 12.546 0.000 22.814) 26.036 3.254 ( -3.560 -0.000 -8.802) 9.495 3.428 ( -3.700 -0.000 -5.430) 6.571 3.573 ( -3.015 -0.000 -12.155) 12.524 4.280 ( 12.882 0.000 -15.130) 19.872 4.396 ( 6.149 0.000 -5.493) 8.245 4.473 ( 0.681 0.000 6.220) 6.257 5.336 ( -13.154 -0.000 4.713) 13.973 5.342 ( -7.889 -0.000 9.164) 12.091 5.954 ( -9.946 -0.000 1.884) 10.123 6.126 ( -9.960 -0.000 -6.076) 11.667 6.738 ( -6.306 -0.000 15.897) 17.102 7.031 ( 2.923 0.000 3.613) 4.647 7.047 ( -6.314 -0.000 21.844) 22.739 7.942 ( -11.194 -0.000 23.425) 25.962 8.406 ( -15.587 -0.000 -6.468) 16.875 9.327 ( -3.452 -0.000 3.809) 5.141 9.795 ( -3.921 -0.000 -3.171) 5.043 10.324 ( 25.577 0.000 14.485) 29.393 10.443 ( -10.041 -0.000 -11.834) 15.520 11.862 ( 9.602 0.000 -13.418) 16.500 11.877 ( 21.171 0.000 10.400) 23.587 12.298 ( 5.776 0.000 -2.166) 6.169 12.718 ( -6.715 -0.000 11.691) 13.482 13.293 ( -7.000 -0.000 -0.628) 7.028 13.804 ( 4.241 0.000 -8.691) 9.670 14.370 ( -3.093 -0.000 -3.486) 4.660 18.134 ( -9.930 -0.000 -15.320) 18.256 18.572 ( -5.521 -0.000 -2.616) 6.109 19.084 ( 11.812 0.000 0.564) 11.825 19.459 ( -10.291 -0.000 -3.059) 10.736 22.075 ( 4.501 0.000 -17.836) 18.395 22.192 ( 4.025 0.000 14.570) 15.115 23.377 ( 6.738 0.000 1.563) 6.917 24.037 ( 2.493 0.000 0.661) 2.579 ======================= Grid point 275 (125/432) ======================= q-point: (-0.73 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -5.813 9.150 5.981) 12.380 3.054 ( -4.732 2.333 -1.364) 5.449 3.096 ( 5.408 -8.496 10.263) 14.379 3.299 ( -5.347 0.015 -6.640) 8.526 3.389 ( -4.446 -0.078 -9.425) 10.421 4.241 ( 11.361 7.252 -11.211) 17.532 4.473 ( 8.581 -6.296 -7.301) 12.906 4.541 ( -2.847 -9.563 2.223) 10.222 5.140 ( -17.453 4.398 0.563) 18.007 5.336 ( -7.214 -3.211 3.191) 8.517 5.827 ( -11.682 0.672 1.625) 11.814 5.949 ( -7.873 0.124 -3.910) 8.791 6.775 ( -7.912 1.942 8.847) 12.027 7.052 ( -3.582 3.250 2.924) 5.652 7.248 ( -10.136 0.037 29.273) 30.978 8.060 ( -3.111 0.153 11.441) 11.858 8.199 ( -12.170 -7.650 -1.006) 14.410 9.326 ( -4.568 1.495 5.609) 7.387 9.656 ( -7.512 1.323 -4.705) 8.962 10.160 ( -8.884 1.685 -13.826) 16.521 10.827 ( 22.390 -3.474 13.490) 26.370 11.792 ( 11.317 20.288 -6.131) 24.026 12.275 ( 15.195 -2.265 6.895) 16.839 12.363 ( 7.547 -2.457 2.576) 8.345 12.816 ( -3.967 -10.010 9.914) 14.636 13.194 ( -6.015 2.465 0.834) 6.553 13.650 ( -4.349 -0.307 -15.253) 15.864 14.418 ( 7.321 -3.085 2.145) 8.229 17.832 ( -7.425 0.058 -17.246) 18.776 18.550 ( -1.475 -2.778 4.900) 5.823 19.231 ( 10.910 3.625 -1.138) 11.553 19.368 ( 0.576 -3.958 -1.339) 4.218 21.854 ( 2.607 10.800 -17.153) 20.437 22.399 ( -3.777 -10.524 9.835) 14.891 23.513 ( 9.118 -0.733 3.231) 9.702 24.068 ( 1.196 1.501 1.925) 2.718 ======================= Grid point 276 (126/432) ======================= q-point: (-0.64 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -10.647 14.876 -0.578) 18.303 2.824 ( -14.099 2.199 -6.504) 15.682 3.151 ( -5.206 -0.939 -5.015) 7.289 3.273 ( -5.014 -8.305 -4.447) 10.672 3.404 ( 5.749 -2.277 10.645) 12.311 4.159 ( 6.118 9.640 -13.505) 17.684 4.479 ( -4.391 -7.919 -1.906) 9.253 4.663 ( -0.239 -10.631 -1.572) 10.749 4.870 ( -13.556 -0.634 -1.845) 13.696 5.297 ( -5.409 -3.594 0.663) 6.528 5.682 ( -11.944 1.029 0.858) 12.018 5.840 ( -4.712 0.752 -0.127) 4.773 6.698 ( -13.578 3.872 6.210) 15.425 6.978 ( -9.141 1.624 3.170) 9.811 7.436 ( -11.266 -1.177 26.331) 28.664 8.038 ( 1.369 -1.088 -8.148) 8.334 8.259 ( -6.658 -8.936 13.138) 17.227 9.301 ( -6.572 3.157 5.703) 9.257 9.519 ( -7.363 -4.279 -3.073) 9.054 9.879 ( -6.272 2.764 -13.550) 15.185 11.240 ( 17.005 -1.063 9.529) 19.522 11.669 ( 9.137 30.215 -1.489) 31.602 12.357 ( 4.870 1.800 -2.942) 5.967 12.631 ( 3.487 -2.663 10.672) 11.539 12.973 ( -4.994 -11.485 7.285) 14.489 13.187 ( 9.038 2.313 2.677) 9.706 13.413 ( -6.451 -1.769 -11.127) 12.983 14.609 ( 12.420 -8.317 -0.665) 14.962 17.541 ( -6.579 -0.532 -17.857) 19.038 18.694 ( 4.375 -3.705 11.544) 12.890 19.291 ( 8.832 5.872 0.445) 10.615 19.501 ( 12.529 -5.946 -1.758) 13.979 21.583 ( 0.536 10.128 -18.098) 20.746 22.484 ( -10.903 -11.351 5.729) 16.749 23.683 ( 8.450 -0.202 4.927) 9.784 24.095 ( 0.479 2.253 4.112) 4.713 ======================= Grid point 277 (127/432) ======================= q-point: (-0.55 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -12.595 17.390 1.268) 21.509 2.489 ( -18.359 7.313 -8.400) 21.473 3.110 ( -2.979 -8.118 1.230) 8.734 3.246 ( -6.400 -10.387 -1.327) 12.273 3.531 ( 2.217 5.180 3.540) 6.654 3.909 ( -8.605 10.473 -10.122) 16.917 4.436 ( -13.243 -5.264 -2.493) 14.468 4.558 ( -2.909 -3.003 -0.304) 4.192 4.946 ( 3.303 -16.946 -1.046) 17.296 5.297 ( -1.990 -5.896 1.085) 6.317 5.512 ( -13.290 0.288 -0.668) 13.310 5.812 ( -0.910 1.814 3.467) 4.018 6.515 ( -20.005 1.831 4.533) 20.594 6.873 ( -11.600 -0.288 3.626) 12.157 7.567 ( -11.084 -0.796 19.173) 22.161 7.989 ( 2.763 -2.419 -7.111) 8.003 8.397 ( -2.129 -7.567 8.459) 11.547 9.242 ( -7.222 3.202 5.064) 9.384 9.467 ( -7.116 -11.318 -1.783) 13.487 9.674 ( -1.646 2.898 -7.865) 8.542 11.406 ( 7.519 25.003 -1.904) 26.179 11.585 ( 9.935 11.994 7.262) 17.184 12.345 ( 1.988 2.936 -3.539) 5.010 12.671 ( -10.332 5.766 9.501) 15.174 13.043 ( 0.535 -6.817 -7.497) 10.147 13.165 ( -4.188 -6.124 -3.151) 8.060 13.566 ( 16.317 -2.206 12.323) 20.567 14.845 ( 14.541 -13.301 -5.017) 20.335 17.269 ( -5.427 0.406 -15.202) 16.147 18.954 ( 8.289 -2.041 12.883) 15.454 19.396 ( 13.147 5.895 1.214) 14.460 19.721 ( 16.047 -5.047 -0.202) 16.823 21.287 ( -1.456 7.914 -18.946) 20.584 22.444 ( -17.095 -12.163 2.368) 21.114 23.818 ( 5.423 2.672 3.476) 6.974 24.160 ( 0.383 -0.307 8.568) 8.582 ======================= Grid point 278 (128/432) ======================= q-point: (-0.45 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -12.891 18.580 6.834) 23.624 2.047 ( -20.785 13.664 -7.449) 25.965 3.208 ( -2.844 -7.255 2.658) 8.234 3.248 ( -5.349 -12.158 2.158) 13.456 3.402 ( -9.388 19.604 2.330) 21.861 3.678 ( -6.402 -0.571 -0.959) 6.498 4.299 ( -7.425 -6.843 -3.227) 10.601 4.621 ( 0.675 -4.842 4.658) 6.752 5.069 ( -1.675 -16.848 -6.309) 18.069 5.333 ( -11.336 -4.868 4.974) 13.302 5.391 ( 0.097 -5.878 0.622) 5.911 5.858 ( 1.759 2.113 5.800) 6.419 6.269 ( -26.074 -2.447 5.447) 26.749 6.779 ( -9.173 -1.693 2.200) 9.584 7.579 ( -12.669 1.231 10.117) 16.260 7.993 ( 5.296 -3.481 -5.722) 8.539 8.527 ( 1.065 -4.696 6.342) 7.963 9.194 ( -5.727 -0.936 3.457) 6.754 9.472 ( -9.092 -17.262 -0.502) 19.516 9.609 ( 1.802 1.954 -0.609) 2.727 11.159 ( 3.006 35.763 -3.758) 36.085 11.718 ( 6.724 7.123 6.665) 11.848 12.277 ( -0.828 5.582 -3.251) 6.512 12.562 ( -11.754 6.286 7.013) 15.061 12.934 ( -0.189 0.509 -7.741) 7.760 13.258 ( 1.298 -13.879 -0.387) 13.945 13.911 ( 14.667 0.402 8.419) 16.917 15.077 ( 14.431 -16.499 -9.687) 23.964 17.077 ( -2.642 1.080 -5.768) 6.436 19.188 ( 12.409 4.487 5.378) 14.249 19.539 ( 10.000 1.878 1.175) 10.243 20.001 ( 19.858 -0.637 4.188) 20.305 20.983 ( -3.090 4.901 -19.059) 19.921 22.317 ( -22.056 -13.926 1.879) 26.153 23.861 ( 3.451 5.298 0.814) 6.375 24.293 ( -1.836 -4.185 10.979) 11.893 ======================= Grid point 279 (129/432) ======================= q-point: (-0.36 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -15.694 20.191 2.500) 25.695 1.695 ( -11.118 19.766 12.017) 25.666 2.995 ( -14.979 26.490 8.203) 31.518 3.263 ( -6.651 -9.017 1.094) 11.258 3.447 ( -1.720 -13.348 9.488) 16.467 3.650 ( -1.247 -1.323 1.267) 2.216 4.261 ( -1.015 -6.307 -5.531) 8.450 4.755 ( 0.492 -5.400 9.308) 10.772 5.066 ( -3.394 -14.264 -7.225) 16.346 5.321 ( -9.121 -8.982 8.633) 15.440 5.511 ( 0.608 -8.101 4.541) 9.307 5.929 ( 0.550 1.951 5.320) 5.693 6.047 ( -25.707 -6.773 10.051) 28.421 6.711 ( -5.089 -2.353 -0.969) 5.690 7.483 ( -13.019 2.118 6.335) 14.633 8.034 ( 4.974 -3.343 -4.978) 7.791 8.636 ( 4.700 1.049 2.487) 5.420 9.192 ( -4.834 -10.279 -0.069) 11.359 9.487 ( -12.551 -19.198 0.938) 22.956 9.660 ( 3.417 1.148 4.494) 5.761 10.836 ( 1.413 36.909 -3.152) 37.070 11.792 ( 3.954 9.644 7.049) 12.583 12.161 ( -2.844 8.933 -1.657) 9.520 12.444 ( -8.324 4.310 3.234) 9.916 12.892 ( 1.916 0.392 -1.353) 2.378 13.364 ( 1.751 -12.359 -4.597) 13.302 14.074 ( 8.203 4.886 -4.113) 10.396 15.256 ( 11.536 -17.111 -13.535) 24.679 17.118 ( 4.012 -4.136 11.948) 13.265 19.339 ( 19.295 9.719 -3.458) 21.880 19.599 ( 0.770 -1.470 -3.919) 4.256 20.312 ( 16.653 7.076 9.601) 20.484 20.709 ( -0.660 -0.178 -18.350) 18.363 22.178 ( -24.346 -16.273 5.674) 29.829 23.859 ( 3.079 5.166 -0.326) 6.023 24.384 ( -7.645 -5.224 6.408) 11.261 ======================= Grid point 280 (130/432) ======================= q-point: (-0.27 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.868 20.828 17.237) 27.049 1.575 ( -6.799 20.373 15.574) 26.530 2.741 ( -14.777 26.240 22.279) 37.460 3.278 ( -3.410 -7.992 -0.027) 8.689 3.624 ( 0.016 -9.643 4.466) 10.627 3.696 ( -1.615 -2.983 7.620) 8.340 4.237 ( 1.972 -5.894 -7.633) 9.844 4.927 ( -0.731 -7.481 12.477) 14.566 5.052 ( 1.378 -4.729 -7.300) 8.806 5.470 ( -2.074 -12.988 8.086) 15.440 5.616 ( -13.144 -14.753 14.574) 24.552 5.950 ( -16.299 -6.834 13.124) 22.013 5.974 ( -1.742 2.741 4.748) 5.752 6.673 ( -0.493 -3.017 -2.578) 3.999 7.383 ( -11.452 1.242 6.992) 13.476 8.019 ( -1.835 -0.389 -6.616) 6.877 8.665 ( 5.903 5.452 -3.871) 8.919 9.264 ( -1.599 -16.296 1.960) 16.491 9.504 ( -10.966 -20.637 0.403) 23.373 9.728 ( 2.043 6.561 3.948) 7.925 10.545 ( 2.504 32.884 0.669) 32.986 11.821 ( 2.723 14.198 6.146) 15.709 12.048 ( -2.812 6.606 2.301) 7.539 12.339 ( -5.688 3.483 -0.925) 6.733 12.922 ( 3.452 1.813 0.828) 3.987 13.391 ( 1.054 -8.254 -8.870) 12.162 13.954 ( 0.300 11.117 -11.287) 15.846 15.340 ( 6.274 -15.789 -16.386) 23.604 17.525 ( 10.807 -17.314 22.569) 30.429 19.438 ( 9.705 -1.852 -17.187) 19.824 19.528 ( 7.900 7.286 -1.278) 10.822 20.340 ( -7.683 5.766 -3.122) 10.101 20.714 ( 17.444 2.977 -0.973) 17.723 22.116 ( -21.136 -17.471 11.176) 29.612 23.854 ( 3.067 3.754 -0.780) 4.910 24.279 ( -16.071 0.135 -2.946) 16.339 ======================= Grid point 281 (131/432) ======================= q-point: (-0.18 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.875 18.030 16.832) 24.736 1.629 ( 10.830 14.913 21.553) 28.359 2.740 ( -4.137 21.670 34.855) 41.250 3.298 ( -0.563 -6.176 -2.588) 6.719 3.714 ( 1.109 -4.458 1.393) 4.801 3.804 ( -4.888 -5.872 9.360) 12.082 4.257 ( 4.420 -7.762 -5.741) 10.619 5.034 ( 4.729 0.996 -6.295) 7.936 5.156 ( 2.347 -6.641 14.422) 16.051 5.495 ( -3.727 -3.039 -3.675) 6.052 5.776 ( -31.725 -19.680 24.577) 44.697 5.970 ( -1.117 -0.124 13.629) 13.675 6.083 ( 1.419 -9.421 9.245) 13.276 6.692 ( 1.338 -3.783 -0.530) 4.047 7.316 ( -8.823 0.375 3.572) 9.526 7.816 ( -10.358 6.925 -6.400) 14.007 8.681 ( 6.302 2.974 0.759) 7.010 9.427 ( -0.430 -15.477 0.152) 15.484 9.588 ( -1.769 -18.039 2.718) 18.328 9.663 ( 0.287 15.406 -0.240) 15.410 10.397 ( 5.021 20.570 4.098) 21.567 11.729 ( 1.212 21.310 0.523) 21.351 12.065 ( -2.229 -2.105 7.379) 7.991 12.201 ( -4.198 3.252 -6.918) 8.721 12.934 ( 3.648 7.246 -1.638) 8.276 13.360 ( 2.457 -1.912 -4.536) 5.502 13.742 ( -3.350 7.800 -5.695) 10.222 15.296 ( 0.471 -12.871 -19.727) 23.559 18.059 ( 9.442 -21.222 13.857) 27.047 19.211 ( -14.051 -9.991 -16.844) 24.103 19.686 ( 20.932 6.212 -4.805) 22.357 20.133 ( -8.940 3.037 -6.332) 11.368 20.900 ( 11.837 4.571 5.917) 14.000 22.182 ( -10.650 -15.168 11.570) 21.848 23.860 ( 3.202 2.479 -1.234) 4.233 23.923 ( -19.168 10.712 -7.072) 23.068 ======================= Grid point 282 (132/432) ======================= q-point: (-0.09 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 2.113 13.658 20.572) 24.783 1.917 ( 10.137 10.652 21.158) 25.766 3.039 ( 9.204 13.241 32.584) 36.356 3.311 ( 2.258 -4.839 -4.271) 6.837 3.770 ( 0.284 -5.480 -0.540) 5.514 3.867 ( -5.331 -3.628 7.080) 9.577 4.331 ( 3.876 -7.726 -3.630) 9.375 4.959 ( 0.645 6.170 -8.733) 10.712 5.366 ( -2.647 -0.876 9.797) 10.186 5.420 ( -1.400 -2.605 -4.004) 4.978 5.800 ( -16.814 -4.234 26.460) 31.635 6.094 ( -8.252 -3.348 14.869) 17.332 6.377 ( 0.430 -18.164 12.566) 22.091 6.742 ( -0.469 -3.849 2.438) 4.580 7.162 ( -8.308 2.977 -8.578) 12.307 7.646 ( -7.904 5.552 9.795) 13.756 8.777 ( 3.530 0.908 6.032) 7.048 9.439 ( -4.593 -1.917 -3.978) 6.371 9.577 ( 5.725 9.851 0.919) 11.430 9.762 ( -1.049 -8.958 4.349) 10.012 10.437 ( 10.387 0.036 1.942) 10.567 11.544 ( 1.336 23.609 -1.773) 23.713 12.044 ( -1.985 0.412 -8.862) 9.091 12.145 ( -1.468 -6.926 2.783) 7.607 12.866 ( 1.842 13.988 0.600) 14.121 13.422 ( 5.475 -0.996 2.720) 6.194 13.607 ( -3.697 2.626 -2.719) 5.287 15.120 ( -4.532 -8.889 -21.538) 23.737 18.410 ( 8.379 -13.595 3.309) 16.309 18.913 ( -17.271 -11.950 -14.236) 25.372 19.681 ( -6.544 10.463 -5.930) 13.691 19.953 ( -2.927 0.820 -5.850) 6.593 21.135 ( 12.948 -3.907 8.633) 16.045 22.311 ( 0.023 -7.550 3.628) 8.376 23.530 ( -11.256 14.364 -3.824) 18.645 23.888 ( 3.589 0.261 -0.669) 3.660 ======================= Grid point 286 (133/432) ======================= q-point: ( 0.27 -0.73 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -10.294 -0.000 -0.195) 10.296 2.822 ( -11.949 -0.000 -7.794) 14.266 3.161 ( -6.511 -0.000 -4.278) 7.791 3.170 ( -6.470 -0.000 -7.075) 9.588 3.392 ( 5.975 0.000 13.542) 14.801 4.256 ( 7.100 0.000 -20.277) 21.484 4.463 ( -3.531 -0.000 7.412) 8.210 4.484 ( 6.774 0.000 -4.955) 8.393 4.887 ( -21.332 -0.000 -2.692) 21.501 5.261 ( -5.043 -0.000 0.273) 5.050 5.692 ( -11.972 -0.000 0.561) 11.985 5.846 ( -4.244 -0.000 -0.089) 4.244 6.741 ( -15.610 -0.000 8.802) 17.920 6.981 ( -9.200 -0.000 -0.954) 9.249 7.427 ( -10.799 -0.000 25.870) 28.033 8.029 ( -0.925 -0.000 -7.298) 7.356 8.181 ( -4.581 -0.000 15.668) 16.324 9.328 ( -6.527 -0.000 5.787) 8.723 9.474 ( -10.452 -0.000 -5.029) 11.599 9.912 ( -5.136 -0.000 -13.782) 14.708 11.229 ( 18.167 0.000 11.278) 21.383 11.992 ( 14.161 0.000 -5.466) 15.179 12.397 ( 3.115 0.000 -0.404) 3.141 12.521 ( 4.559 0.000 7.230) 8.548 12.873 ( -5.701 -0.000 13.642) 14.785 13.212 ( 7.356 0.000 5.013) 8.902 13.394 ( -6.824 -0.000 -15.168) 16.632 14.535 ( 11.602 0.000 -1.430) 11.690 17.537 ( -6.593 -0.000 -17.405) 18.612 18.662 ( 4.683 0.000 12.429) 13.282 19.391 ( 8.131 0.000 2.110) 8.400 19.402 ( 14.930 0.000 -4.717) 15.657 21.681 ( 0.056 0.000 -21.804) 21.805 22.376 ( -11.047 -0.000 8.941) 14.211 23.681 ( 8.260 0.000 6.192) 10.323 24.114 ( 0.531 0.000 3.027) 3.073 ======================= Grid point 288 (134/432) ======================= q-point: (-0.64 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -11.402 9.378 -1.654) 14.855 2.576 ( -13.179 2.781 -6.583) 14.992 3.013 ( -7.755 -2.523 -1.209) 8.245 3.076 ( -8.077 -8.085 -1.384) 11.512 3.579 ( 2.828 1.226 8.290) 8.844 4.032 ( -2.413 2.375 -18.224) 18.536 4.439 ( -4.668 7.345 0.813) 8.741 4.539 ( -7.720 0.233 -2.066) 7.995 4.672 ( -2.245 -15.137 -0.451) 15.309 5.228 ( -2.898 -2.209 1.877) 4.099 5.517 ( -13.999 0.208 -1.600) 14.092 5.834 ( -0.421 0.711 3.381) 3.480 6.556 ( -25.090 2.124 7.271) 26.208 6.846 ( -10.196 -1.824 -1.036) 10.409 7.566 ( -8.269 0.238 19.447) 21.133 7.951 ( 0.805 -1.537 -7.584) 7.780 8.316 ( -1.992 -2.203 13.091) 13.424 9.277 ( -9.359 1.217 3.671) 10.126 9.317 ( -8.450 -5.301 -3.582) 10.599 9.729 ( -1.109 2.214 -8.590) 8.940 11.537 ( 12.755 1.295 7.641) 14.925 12.002 ( 10.248 22.617 -2.877) 24.996 12.392 ( 1.218 3.892 -1.453) 4.329 12.658 ( -2.002 -10.481 4.124) 11.439 12.878 ( -10.987 -4.912 7.049) 13.947 13.144 ( -5.441 0.390 -12.307) 13.461 13.530 ( 18.567 -1.420 12.646) 22.510 14.679 ( 13.765 -5.526 -6.294) 16.114 17.274 ( -5.181 0.183 -14.252) 15.166 18.932 ( 10.556 -0.631 15.148) 18.474 19.494 ( 14.308 5.233 -4.047) 15.763 19.633 ( 17.556 -4.900 2.514) 18.400 21.390 ( -2.914 3.627 -21.924) 22.412 22.295 ( -16.653 -5.002 4.301) 17.912 23.848 ( 4.767 0.872 7.581) 8.998 24.158 ( 0.237 -0.018 4.313) 4.320 ======================= Grid point 289 (135/432) ======================= q-point: (-0.55 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -10.582 13.504 3.110) 17.436 2.270 ( -13.556 12.373 -4.110) 18.808 3.010 ( -5.051 -11.229 5.003) 13.291 3.052 ( -8.381 -11.284 1.232) 14.110 3.638 ( -0.148 2.897 3.245) 4.352 3.754 ( -6.064 9.875 -11.827) 16.558 4.227 ( -10.845 0.546 -1.780) 11.004 4.549 ( 0.439 -3.296 4.461) 5.563 4.798 ( 0.664 -14.942 -3.743) 15.418 5.257 ( -7.985 -3.516 5.858) 10.509 5.327 ( -8.080 -2.310 -0.746) 8.436 5.889 ( 1.862 1.346 5.330) 5.804 6.256 ( -30.206 0.375 6.597) 30.920 6.731 ( -8.421 -3.197 -1.384) 9.113 7.625 ( -8.170 3.631 10.717) 13.956 7.916 ( 2.957 -5.030 -6.551) 8.772 8.464 ( -0.333 -2.443 12.040) 12.290 9.192 ( -10.288 -1.227 3.830) 11.047 9.225 ( -7.099 -9.183 -5.505) 12.846 9.660 ( 1.763 2.743 -0.573) 3.310 11.671 ( 7.787 16.490 0.079) 18.236 11.890 ( 5.614 20.399 3.773) 21.492 12.342 ( -0.391 2.881 -3.188) 4.315 12.652 ( -11.813 3.062 7.078) 14.107 12.912 ( 1.405 -7.624 -6.041) 9.829 13.016 ( -3.097 -9.993 -1.985) 10.648 13.902 ( 14.565 -0.943 10.244) 17.832 14.835 ( 14.183 -11.252 -10.682) 21.021 17.091 ( -2.337 0.640 -7.176) 7.574 19.246 ( 14.955 2.313 9.658) 17.953 19.569 ( 10.143 1.563 -6.028) 11.902 19.988 ( 24.298 -0.802 7.095) 25.325 21.056 ( -5.483 3.424 -21.145) 22.111 22.136 ( -20.760 -7.555 2.222) 22.203 23.941 ( 1.148 3.973 5.224) 6.663 24.230 ( -0.964 -3.149 6.380) 7.180 ======================= Grid point 290 (136/432) ======================= q-point: (-0.45 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -9.944 19.570 4.229) 22.355 2.016 ( -7.585 17.927 8.752) 21.343 3.067 ( -7.248 -10.976 2.782) 13.444 3.147 ( -3.711 -14.035 6.242) 15.802 3.463 ( -7.403 16.563 -0.366) 18.146 3.642 ( -0.515 0.866 2.172) 2.394 4.161 ( -0.550 -5.116 -2.896) 5.905 4.666 ( -0.378 -4.697 9.204) 10.340 4.826 ( -2.869 -12.992 -6.373) 14.753 5.182 ( -13.513 -7.445 7.542) 17.173 5.399 ( 0.106 -5.021 6.187) 7.969 5.951 ( -11.708 0.176 6.084) 13.196 5.984 ( -13.550 -1.065 8.441) 15.999 6.649 ( -5.134 -4.401 -3.086) 7.433 7.552 ( -8.584 5.995 4.476) 11.387 7.950 ( 4.325 -6.329 -5.616) 9.502 8.626 ( 1.345 -2.205 11.340) 11.631 9.086 ( -8.939 -2.530 -2.196) 9.546 9.187 ( -8.907 -14.527 -1.335) 17.092 9.706 ( 3.516 2.694 5.885) 7.366 11.465 ( 3.788 36.103 -3.986) 36.520 11.923 ( 2.765 7.036 7.059) 10.343 12.266 ( -0.937 3.394 -3.675) 5.089 12.537 ( -10.528 6.259 6.352) 13.797 12.902 ( 3.616 0.212 -2.404) 4.347 13.117 ( 0.283 -17.000 -3.076) 17.278 14.115 ( 6.708 0.808 1.367) 6.893 14.978 ( 12.389 -15.110 -14.298) 24.212 17.074 ( 2.666 -1.459 4.734) 5.626 19.459 ( 19.927 4.552 -10.214) 22.850 19.587 ( 0.362 0.206 0.448) 0.612 20.410 ( 25.092 4.491 11.082) 27.795 20.717 ( -6.333 0.993 -20.136) 21.132 21.967 ( -21.181 -9.298 4.997) 23.665 23.947 ( -0.155 5.192 2.368) 5.708 24.300 ( -5.166 -4.821 5.072) 8.698 ======================= Grid point 291 (137/432) ======================= q-point: (-0.36 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.897 20.634 12.036) 23.905 1.923 ( -2.402 21.014 13.620) 25.157 3.091 ( -6.187 3.145 6.912) 9.796 3.149 ( -5.493 0.326 3.247) 6.390 3.444 ( -1.155 -6.797 9.607) 11.825 3.676 ( -0.028 -0.507 4.474) 4.503 4.158 ( 1.839 -3.395 -6.446) 7.514 4.787 ( -4.694 -9.094 9.849) 14.204 4.919 ( 5.686 -10.940 0.041) 12.330 5.219 ( -12.384 -12.451 14.298) 22.645 5.476 ( -7.926 -4.880 7.596) 12.014 5.859 ( -11.643 -4.395 11.775) 17.133 6.020 ( -1.303 2.263 4.944) 5.591 6.605 ( -1.137 -4.847 -3.822) 6.277 7.439 ( -7.848 5.516 3.662) 10.268 7.968 ( 0.924 -4.945 -7.012) 8.630 8.756 ( 2.119 4.237 4.808) 6.750 9.012 ( -6.282 -12.293 0.993) 13.841 9.199 ( -6.627 -15.266 -0.087) 16.642 9.814 ( 3.152 3.818 8.336) 9.695 11.146 ( 2.253 37.686 -3.154) 37.884 11.971 ( 0.009 5.397 7.091) 8.911 12.177 ( -0.491 5.716 -3.609) 6.778 12.428 ( -7.437 7.500 4.370) 11.430 12.954 ( 5.654 1.598 1.409) 6.042 13.203 ( 0.853 -13.778 -5.502) 14.861 14.084 ( -1.480 4.816 -7.550) 9.076 15.065 ( 8.214 -16.356 -17.319) 25.198 17.311 ( 8.245 -8.805 16.027) 20.059 19.366 ( -1.138 -4.255 -22.242) 22.674 19.670 ( 14.112 7.324 -0.342) 15.903 20.383 ( -10.579 0.361 -13.190) 16.912 20.817 ( 22.985 8.157 8.627) 25.871 21.892 ( -14.886 -10.150 9.736) 20.480 23.921 ( -0.217 4.110 0.718) 4.178 24.258 ( -10.934 -2.308 -0.477) 11.185 ======================= Grid point 292 (138/432) ======================= q-point: (-0.27 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 4.621 16.754 12.944) 21.670 1.920 ( 4.782 19.820 15.331) 25.509 3.089 ( -1.192 16.515 21.450) 27.098 3.181 ( -0.681 -6.653 -0.004) 6.688 3.587 ( -0.328 -8.396 3.597) 9.140 3.745 ( -3.600 -2.279 8.989) 9.948 4.147 ( 3.771 -4.711 -5.692) 8.295 4.975 ( -1.199 -10.512 11.676) 15.757 5.059 ( 9.122 -2.464 0.458) 9.460 5.401 ( -9.600 -16.501 16.255) 25.074 5.472 ( -14.789 -5.465 12.681) 20.233 5.950 ( -3.082 -5.003 11.484) 12.900 6.028 ( -2.662 2.505 5.914) 6.952 6.618 ( 1.741 -4.953 -1.965) 5.606 7.343 ( -7.259 3.140 2.035) 8.167 7.865 ( -6.393 -0.057 -7.753) 10.048 8.748 ( 2.444 5.070 1.008) 5.718 9.138 ( -3.621 -18.370 2.771) 18.928 9.306 ( 2.730 -14.600 3.554) 15.272 9.877 ( 1.226 9.664 6.583) 11.757 10.849 ( 1.535 32.283 -1.083) 32.338 11.981 ( -4.307 6.394 5.999) 9.769 12.090 ( 2.213 4.972 -3.592) 6.521 12.295 ( -5.897 9.159 -1.417) 10.985 13.023 ( 5.688 2.716 -0.497) 6.323 13.268 ( 3.033 -7.276 -1.019) 7.949 13.877 ( -6.429 6.958 -8.021) 12.413 15.055 ( 2.950 -15.431 -20.301) 25.670 17.744 ( 9.740 -15.690 17.482) 25.430 19.069 ( -11.274 -7.126 -21.371) 25.192 19.783 ( 15.910 5.171 -5.718) 17.679 20.121 ( -11.069 -2.945 -9.469) 14.862 21.055 ( 11.149 12.545 8.954) 19.023 21.989 ( -0.872 -9.109 10.412) 13.862 23.897 ( 0.079 2.126 -0.082) 2.129 24.043 ( -14.366 4.171 -5.805) 16.046 ======================= Grid point 293 (139/432) ======================= q-point: (-0.18 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.508 18.014 12.515) 22.393 2.101 ( 11.372 10.920 17.283) 23.394 3.187 ( 0.083 -4.366 -0.694) 4.421 3.309 ( 7.595 11.192 21.549) 25.442 3.649 ( -0.446 -7.057 -2.797) 7.604 3.817 ( -6.011 -2.662 11.475) 13.225 4.214 ( 5.993 -5.547 -2.425) 8.518 5.051 ( 3.302 3.872 -3.735) 6.313 5.282 ( 0.951 -8.449 11.012) 13.912 5.407 ( -5.688 0.863 2.152) 6.142 5.665 ( -12.788 -12.649 30.358) 35.287 6.045 ( -6.636 -3.544 7.439) 10.580 6.146 ( 2.265 -7.182 14.138) 16.019 6.674 ( 1.184 -4.437 0.681) 4.642 7.198 ( -9.124 1.942 -7.083) 11.713 7.710 ( -6.365 2.526 1.498) 7.010 8.794 ( 3.653 1.243 3.738) 5.372 9.241 ( -3.155 -16.768 -2.418) 17.232 9.551 ( 4.577 -13.308 5.719) 15.191 9.853 ( 3.156 16.546 6.203) 17.950 10.632 ( 1.124 21.333 -0.288) 21.365 11.866 ( -6.484 10.933 0.396) 12.717 12.082 ( -2.254 4.254 1.647) 5.088 12.100 ( 2.082 4.410 -11.017) 12.048 13.040 ( 3.638 5.437 -0.328) 6.550 13.384 ( 4.596 -1.869 3.479) 6.060 13.674 ( -5.762 4.452 -2.787) 7.797 14.935 ( -1.844 -12.892 -21.961) 25.532 18.159 ( 7.367 -15.178 11.137) 20.216 18.748 ( -12.284 -8.118 -17.308) 22.724 19.810 ( 2.649 4.980 -7.782) 9.611 19.929 ( -9.033 -3.400 -4.694) 10.732 21.158 ( 6.100 7.048 7.636) 12.050 22.214 ( 9.980 -4.452 5.981) 12.458 23.729 ( -12.104 9.161 -6.161) 16.383 23.892 ( 1.317 0.339 -0.721) 1.539 ======================= Grid point 294 (140/432) ======================= q-point: (-0.09 0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 5.151 11.007 15.951) 20.053 2.376 ( 11.916 10.516 18.166) 24.137 3.207 ( 1.770 -6.377 -4.790) 8.169 3.532 ( 3.794 4.719 10.840) 12.416 3.640 ( -1.089 -7.768 -7.246) 10.678 3.951 ( 4.774 -0.008 13.039) 13.885 4.296 ( 4.405 -2.297 -1.965) 5.342 4.948 ( 0.265 10.296 -6.370) 12.110 5.342 ( -4.689 -0.193 1.187) 4.841 5.409 ( -8.905 -0.761 13.357) 16.072 5.988 ( -1.651 0.300 19.470) 19.542 6.101 ( -9.196 -11.530 20.209) 25.019 6.408 ( 1.034 -8.184 10.820) 13.606 6.727 ( -2.069 -4.060 3.600) 5.808 6.950 ( -9.271 -0.627 -9.008) 12.942 7.712 ( -2.324 0.495 9.127) 9.431 8.873 ( -0.469 0.282 5.091) 5.120 9.284 ( -2.850 -10.511 -1.743) 11.029 9.663 ( -4.699 -1.940 0.272) 5.091 9.902 ( 10.465 12.361 8.988) 18.523 10.552 ( 5.242 3.928 -0.808) 6.600 11.666 ( -7.343 9.060 -3.804) 12.267 11.924 ( 1.022 5.682 -6.880) 8.981 12.129 ( 6.260 -1.340 -3.278) 7.192 13.026 ( 0.960 10.580 4.037) 11.364 13.398 ( -5.801 -3.784 -3.490) 7.755 13.669 ( 6.458 4.201 6.160) 9.864 14.733 ( -5.106 -9.249 -20.418) 22.989 18.388 ( -8.356 -12.448 0.942) 15.022 18.560 ( 5.970 -6.506 -9.342) 12.854 19.567 ( -10.492 12.112 -9.437) 18.597 19.807 ( -11.388 -1.850 -0.655) 11.556 21.326 ( 8.864 -5.846 5.635) 12.021 22.408 ( 12.340 3.036 0.115) 12.709 23.480 ( -4.916 8.959 -3.549) 10.818 23.913 ( 1.984 -1.645 -0.486) 2.623 ======================= Grid point 299 (141/432) ======================= q-point: ( 0.36 -0.64 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -8.986 -0.000 1.917) 9.189 2.397 ( -9.703 -0.000 -2.857) 10.115 2.904 ( -8.455 -0.000 4.083) 9.389 2.931 ( -9.002 -0.000 2.193) 9.265 3.655 ( -2.338 -0.000 3.271) 4.020 3.825 ( 0.309 0.000 -15.345) 15.348 4.285 ( -14.453 -0.000 -3.849) 14.957 4.520 ( 0.040 0.000 4.096) 4.096 4.636 ( 3.621 0.000 0.432) 3.647 5.227 ( -7.194 -0.000 6.493) 9.690 5.308 ( -10.725 -0.000 -1.554) 10.837 5.900 ( 1.904 0.000 5.129) 5.471 6.263 ( -32.500 -0.000 7.321) 33.315 6.700 ( -7.120 -0.000 -3.202) 7.807 7.667 ( -5.164 -0.000 11.989) 13.054 7.862 ( 0.134 0.000 -6.833) 6.835 8.444 ( -0.662 -0.000 12.948) 12.965 9.123 ( -6.643 -0.000 -5.442) 8.588 9.206 ( -10.894 -0.000 3.018) 11.305 9.684 ( 1.562 0.000 -1.183) 1.960 11.759 ( 8.541 0.000 5.810) 10.330 12.183 ( 8.732 0.000 -5.832) 10.501 12.428 ( -0.556 -0.000 0.737) 0.923 12.570 ( -3.873 -0.000 0.684) 3.933 12.785 ( -12.062 -0.000 7.026) 13.959 12.975 ( -1.251 -0.000 -8.261) 8.355 13.892 ( 14.657 0.000 10.927) 18.282 14.736 ( 14.128 0.000 -11.107) 17.971 17.097 ( -2.200 -0.000 -7.632) 7.942 19.265 ( 15.570 0.000 11.436) 19.319 19.584 ( 10.215 0.000 -9.637) 14.044 19.980 ( 25.942 0.000 8.852) 27.411 21.086 ( -6.260 -0.000 -22.241) 23.106 22.072 ( -20.163 -0.000 2.751) 20.350 23.978 ( -0.104 -0.000 8.318) 8.318 24.200 ( -0.217 -0.000 3.267) 3.275 ======================= Grid point 301 (142/432) ======================= q-point: (-0.55 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -5.714 12.674 5.488) 14.947 2.254 ( -5.053 8.291 7.223) 12.101 2.895 ( -7.731 -7.510 4.671) 11.747 2.918 ( -6.152 -10.009 7.382) 13.875 3.615 ( -3.585 2.314 -1.341) 4.473 3.694 ( 3.917 3.142 -8.886) 10.206 4.119 ( -6.046 0.089 0.773) 6.096 4.613 ( -0.057 -1.403 10.254) 10.350 4.665 ( -0.265 -5.587 -5.862) 8.102 5.087 ( -16.473 -3.313 6.771) 18.116 5.344 ( -0.457 -1.645 7.869) 8.052 5.944 ( -27.596 -0.366 8.285) 28.815 5.987 ( 1.146 0.359 5.532) 5.661 6.589 ( -4.306 -2.182 -4.615) 6.678 7.665 ( -5.095 6.523 3.788) 9.102 7.837 ( 2.152 -6.310 -4.381) 7.977 8.586 ( -1.304 -1.723 12.530) 12.715 9.016 ( -4.343 -5.016 -4.570) 8.056 9.081 ( -11.572 0.224 1.411) 11.660 9.738 ( 3.073 1.006 5.543) 6.417 11.875 ( 5.485 7.819 2.197) 9.800 12.126 ( 3.586 16.219 -2.939) 16.869 12.329 ( -2.236 9.238 -1.733) 9.662 12.594 ( -8.070 -4.171 5.345) 10.540 12.771 ( -3.330 -14.833 -0.828) 15.225 12.939 ( 3.296 -0.925 -1.222) 3.635 14.119 ( 5.832 0.009 4.319) 7.258 14.790 ( 13.099 -6.250 -14.957) 20.841 17.060 ( 2.473 -0.313 1.541) 2.931 19.497 ( 16.370 0.640 -19.967) 25.828 19.601 ( 3.783 0.912 8.803) 9.625 20.459 ( 29.664 1.382 11.171) 31.728 20.734 ( -8.948 0.762 -20.643) 22.512 21.863 ( -19.599 -3.114 5.081) 20.485 24.021 ( -3.602 3.024 5.726) 7.410 24.231 ( -2.266 -2.839 2.249) 4.273 ======================= Grid point 302 (143/432) ======================= q-point: (-0.45 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -2.971 15.773 6.966) 17.497 2.263 ( 0.956 19.004 14.933) 24.188 2.949 ( -4.117 -9.488 4.797) 11.401 3.046 ( -4.711 -14.372 7.482) 16.874 3.533 ( 2.718 9.230 0.081) 9.622 3.675 ( 1.274 0.444 0.539) 1.453 4.121 ( 0.168 -1.328 1.101) 1.733 4.620 ( -7.815 -9.791 2.248) 12.728 4.772 ( 2.214 -4.661 10.688) 11.869 5.072 ( -7.972 -6.006 8.944) 13.402 5.418 ( -7.817 -2.266 10.372) 13.184 5.802 ( -11.675 -2.354 11.101) 16.281 6.046 ( -0.510 0.947 4.288) 4.421 6.528 ( -0.668 -3.845 -4.370) 5.859 7.556 ( -5.465 7.733 0.682) 9.494 7.873 ( 2.677 -5.968 -5.552) 8.580 8.727 ( -3.498 -6.653 11.144) 13.442 8.929 ( -7.508 1.208 -1.725) 7.798 9.008 ( -3.034 -7.222 0.357) 7.842 9.860 ( 3.316 1.785 9.616) 10.327 11.748 ( 3.524 31.185 -4.839) 31.754 12.048 ( -1.250 5.235 3.360) 6.345 12.228 ( -1.468 2.401 -3.781) 4.713 12.553 ( -8.060 5.586 8.343) 12.876 12.865 ( 1.300 -17.571 -6.481) 18.773 13.034 ( 6.169 -1.115 4.809) 7.901 14.133 ( -3.283 1.517 -3.369) 4.943 14.826 ( 10.040 -11.100 -18.130) 23.510 17.213 ( 7.485 -3.413 10.998) 13.734 19.310 ( -1.262 -2.371 -25.370) 25.512 19.762 ( 11.437 3.696 0.830) 12.048 20.380 ( -10.550 -0.348 -17.993) 20.861 20.945 ( 27.416 6.214 12.366) 30.711 21.762 ( -13.286 -5.419 9.238) 17.065 23.986 ( -4.210 3.417 2.589) 6.009 24.213 ( -6.526 -2.689 -0.608) 7.085 ======================= Grid point 303 (144/432) ======================= q-point: (-0.36 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 3.995 13.474 9.563) 16.999 2.273 ( 2.961 21.666 11.662) 24.783 3.032 ( -1.161 -8.275 1.675) 8.522 3.197 ( -1.604 -7.924 10.238) 13.045 3.560 ( 5.442 5.872 4.570) 9.219 3.712 ( -1.207 -1.296 5.049) 5.350 4.121 ( 0.836 2.069 0.574) 2.305 4.758 ( -4.097 -14.778 15.198) 21.591 4.985 ( 6.673 -7.500 5.775) 11.581 5.162 ( -6.205 -7.850 14.078) 17.271 5.436 ( -9.111 -1.160 10.199) 13.725 5.882 ( -2.708 -2.953 11.626) 12.297 6.062 ( -2.252 1.269 4.295) 5.013 6.536 ( 2.290 -4.410 -2.259) 5.458 7.419 ( -6.889 5.361 -1.428) 8.846 7.849 ( -0.537 -0.920 -6.492) 6.579 8.819 ( -8.042 -7.242 0.075) 10.823 8.859 ( -1.867 -3.884 6.808) 8.058 9.112 ( 4.621 -8.750 4.432) 10.842 9.993 ( 2.425 4.586 10.742) 11.930 11.427 ( 1.064 35.225 -5.622) 35.687 12.029 ( -4.836 1.574 3.523) 6.187 12.145 ( 0.136 1.361 -6.539) 6.680 12.480 ( -5.750 10.692 5.516) 13.334 12.939 ( 1.928 -13.744 -6.722) 15.421 13.212 ( 8.605 1.337 9.005) 12.527 13.959 ( -9.630 3.050 -6.979) 12.278 14.806 ( 5.435 -13.443 -21.036) 25.550 17.542 ( 9.966 -8.549 16.050) 20.737 18.972 ( -9.141 -4.508 -24.412) 26.454 19.855 ( 11.654 3.417 -5.345) 13.269 20.069 ( -11.289 -2.833 -13.068) 17.500 21.279 ( 13.316 13.491 10.963) 21.898 21.851 ( 2.642 -7.870 9.912) 12.929 23.930 ( -3.860 1.729 0.779) 4.300 24.082 ( -9.614 0.984 -4.879) 10.825 ======================= Grid point 304 (145/432) ======================= q-point: (-0.27 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 8.776 16.020 8.198) 20.022 2.291 ( 6.207 13.187 12.250) 19.039 3.084 ( 0.345 -6.355 -2.184) 6.728 3.362 ( 0.031 -6.861 7.574) 10.220 3.620 ( 0.479 1.461 2.823) 3.215 3.797 ( 2.189 1.658 9.977) 10.348 4.173 ( 5.380 1.738 4.503) 7.228 5.018 ( -1.169 -9.396 13.016) 16.096 5.164 ( 6.215 -5.154 1.842) 8.281 5.401 ( -1.399 -11.578 18.241) 21.650 5.438 ( -11.078 -1.330 15.171) 18.832 5.992 ( -3.060 -1.674 8.359) 9.058 6.105 ( -0.866 -0.417 10.066) 10.112 6.597 ( 3.090 -4.507 -0.357) 5.476 7.235 ( -9.643 2.468 -7.230) 12.302 7.754 ( -2.907 3.553 -1.653) 4.879 8.802 ( -1.820 -3.749 0.868) 4.256 8.959 ( -3.114 -12.459 3.539) 13.321 9.347 ( 7.296 -10.566 6.787) 14.524 10.081 ( 2.136 10.284 10.390) 14.774 11.086 ( -0.477 31.226 -5.177) 31.655 11.926 ( -13.479 0.475 -0.527) 13.498 12.093 ( 6.461 0.290 -8.038) 10.317 12.341 ( -3.046 16.089 0.364) 16.379 13.002 ( 1.843 -9.452 -3.184) 10.143 13.412 ( 7.359 4.766 9.105) 12.640 13.730 ( -9.638 1.889 -3.566) 10.449 14.707 ( 0.885 -13.690 -22.705) 26.527 17.933 ( 8.319 -11.278 14.532) 20.189 18.635 ( -9.318 -5.400 -18.639) 21.527 19.817 ( -5.362 -4.099 -12.635) 14.325 19.905 ( 1.403 1.571 -2.372) 3.172 21.338 ( 1.182 13.110 6.310) 14.598 22.146 ( 15.447 -4.141 8.198) 17.971 23.836 ( -10.222 3.645 -4.450) 11.730 23.903 ( -1.732 1.201 -2.907) 3.590 ======================= Grid point 305 (146/432) ======================= q-point: (-0.18 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 3.890 14.983 7.764) 17.318 2.521 ( 13.576 6.832 14.872) 21.264 3.108 ( 1.856 -5.061 -3.987) 6.705 3.449 ( -0.865 -8.539 -2.601) 8.969 3.614 ( -6.900 -2.208 3.668) 8.120 3.975 ( 13.105 2.936 5.264) 14.424 4.307 ( 6.236 4.030 8.409) 11.218 5.089 ( 0.919 5.506 -1.484) 5.776 5.287 ( -2.147 -5.935 4.302) 7.638 5.427 ( -9.623 2.734 14.496) 17.613 5.815 ( -4.011 -18.808 26.527) 32.765 6.027 ( -3.919 1.968 10.078) 10.991 6.292 ( 2.865 -5.304 13.668) 14.938 6.669 ( 1.112 -3.374 1.645) 3.915 6.962 ( -11.551 1.688 -11.551) 16.423 7.723 ( -0.072 1.647 4.094) 4.414 8.837 ( -2.516 -6.242 1.574) 6.911 9.066 ( -1.178 -12.057 2.436) 12.357 9.571 ( 2.567 -7.427 4.363) 8.988 10.135 ( 4.659 13.419 10.079) 17.417 10.795 ( 0.514 23.103 -4.101) 23.469 11.684 ( -16.511 -1.746 -7.292) 18.134 12.090 ( 7.163 3.092 -7.988) 11.166 12.193 ( 2.823 14.496 0.537) 14.778 13.068 ( 0.922 -5.807 0.180) 5.882 13.389 ( -9.533 2.687 -1.888) 10.083 13.743 ( 7.338 4.525 9.085) 12.525 14.550 ( -2.092 -12.291 -21.078) 24.489 18.207 ( -2.863 -9.175 5.375) 11.012 18.452 ( 3.229 -6.062 -8.588) 10.997 19.638 ( -6.204 -3.117 -10.959) 12.973 19.835 ( -7.872 4.996 0.463) 9.335 21.318 ( 2.765 4.688 1.282) 5.592 22.448 ( 16.237 1.627 5.293) 17.155 23.613 ( -5.519 6.696 -5.859) 10.470 23.880 ( -0.634 -2.261 -0.975) 2.542 ======================= Grid point 306 (147/432) ======================= q-point: (-0.09 0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.717 4.979 9.750) 10.971 2.795 ( 10.980 7.402 12.875) 18.470 3.135 ( 3.254 -4.517 -3.408) 6.527 3.450 ( 1.078 -7.308 -7.860) 10.787 3.570 ( -9.743 -2.200 4.025) 10.769 4.133 ( 15.395 -0.727 -11.002) 18.936 4.459 ( 6.924 8.130 12.217) 16.227 4.981 ( -0.346 11.061 -3.554) 11.624 5.290 ( -7.034 -0.506 3.185) 7.738 5.461 ( -9.593 1.334 14.365) 17.325 5.962 ( -11.824 -6.549 7.458) 15.437 6.249 ( -3.728 -5.355 13.712) 15.185 6.535 ( 2.053 -2.070 17.988) 18.223 6.671 ( -10.269 -5.297 4.278) 12.321 6.785 ( -0.006 -3.451 0.457) 3.481 7.812 ( 5.421 -0.729 5.122) 7.493 8.840 ( -10.144 -4.883 3.382) 11.755 9.199 ( 1.276 -9.757 4.068) 10.648 9.574 ( -5.922 2.169 -2.103) 6.648 10.237 ( 8.692 8.299 8.162) 14.527 10.671 ( 6.408 11.211 0.043) 12.913 11.383 ( -16.398 -5.932 -11.786) 21.048 12.052 ( 8.528 10.668 -1.724) 13.766 12.207 ( 8.223 3.324 -1.486) 8.993 13.119 ( -0.738 -2.762 1.965) 3.469 13.218 ( -10.217 0.656 -1.377) 10.330 13.886 ( 6.966 5.876 3.400) 9.727 14.407 ( -1.223 -7.922 -12.460) 14.815 18.154 ( -7.836 -4.581 -3.684) 9.796 18.588 ( 10.415 -7.332 -2.884) 13.059 19.426 ( -5.271 8.190 -10.041) 13.989 19.651 ( -15.592 3.765 3.479) 16.413 21.387 ( 6.101 -7.373 -1.906) 9.758 22.642 ( 12.211 8.173 3.042) 15.006 23.473 ( 1.021 5.770 -3.942) 7.062 23.897 ( 0.032 -4.339 -0.101) 4.340 ======================= Grid point 312 (148/432) ======================= q-point: ( 0.45 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -4.127 -0.000 3.983) 5.735 2.475 ( 3.818 0.000 18.141) 18.539 2.853 ( -4.108 -0.000 6.691) 7.852 2.866 ( -5.989 -0.000 6.236) 8.646 3.611 ( -0.859 -0.000 2.506) 2.649 3.684 ( 10.894 0.000 -11.189) 15.616 4.109 ( -2.640 -0.000 8.972) 9.352 4.528 ( -9.304 -0.000 -1.515) 9.426 4.743 ( -0.645 -0.000 12.611) 12.627 5.017 ( -4.656 -0.000 7.683) 8.984 5.399 ( -8.535 -0.000 11.921) 14.661 5.782 ( -11.804 -0.000 10.821) 16.013 6.053 ( -0.252 -0.000 3.819) 3.827 6.493 ( -0.274 -0.000 -4.477) 4.485 7.647 ( -5.986 -0.000 -1.844) 6.264 7.802 ( 5.070 0.000 -3.306) 6.052 8.658 ( -7.883 -0.000 10.278) 12.953 8.934 ( 0.183 0.000 -1.356) 1.369 8.964 ( -8.053 -0.000 2.065) 8.314 9.875 ( 3.343 0.000 9.855) 10.406 11.987 ( 2.290 0.000 2.542) 3.422 12.145 ( 2.013 0.000 -7.689) 7.949 12.401 ( -5.660 -0.000 -5.963) 8.221 12.476 ( 1.908 0.000 2.146) 2.871 12.650 ( -8.779 -0.000 5.890) 10.572 13.037 ( 8.168 0.000 4.919) 9.535 14.145 ( -4.196 -0.000 -1.605) 4.492 14.728 ( 10.983 0.000 -18.664) 21.656 17.186 ( 7.362 0.000 9.244) 11.817 19.289 ( -1.135 -0.000 -26.497) 26.522 19.793 ( 10.358 0.000 1.377) 10.449 20.377 ( -10.413 -0.000 -19.328) 21.954 21.001 ( 29.929 0.000 13.193) 32.708 21.715 ( -13.826 -0.000 9.192) 16.602 24.019 ( -7.069 -0.000 4.050) 8.147 24.185 ( -3.628 -0.000 -1.579) 3.957 ======================= Grid point 314 (149/432) ======================= q-point: (-0.45 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 1.026 6.236 5.911) 8.654 2.621 ( 2.296 18.806 12.270) 22.571 2.917 ( -0.273 -4.491 4.466) 6.340 2.975 ( -0.866 -15.494 8.430) 17.660 3.622 ( -1.682 0.693 2.325) 2.952 3.720 ( 12.730 1.434 -7.590) 14.890 4.216 ( 0.485 7.960 12.364) 14.713 4.510 ( -8.314 -12.816 14.726) 21.218 4.877 ( -1.401 -3.564 10.820) 11.478 5.102 ( 3.508 -1.175 6.259) 7.271 5.424 ( -9.623 -0.386 14.013) 17.004 5.851 ( -1.335 -0.922 11.850) 11.960 6.072 ( -1.657 0.141 2.710) 3.180 6.483 ( 2.679 -1.721 -1.830) 3.673 7.493 ( -7.891 2.675 -5.829) 10.169 7.849 ( 6.372 0.627 -3.506) 7.300 8.618 ( -15.285 -7.691 5.679) 18.028 8.925 ( -0.981 3.963 4.034) 5.739 9.004 ( 4.185 -4.522 4.170) 7.440 10.041 ( 3.124 1.351 12.237) 12.702 11.947 ( 2.602 20.977 -6.272) 22.048 12.055 ( -4.112 2.330 -1.173) 4.870 12.171 ( -2.791 4.064 -8.521) 9.845 12.600 ( -4.348 -0.957 8.720) 9.791 12.647 ( -1.007 -14.102 -2.496) 14.356 13.244 ( 10.509 1.338 10.180) 14.692 13.989 ( -12.001 0.735 -5.551) 13.244 14.639 ( 7.316 -5.546 -21.721) 23.581 17.451 ( 10.154 -2.594 14.245) 17.685 18.920 ( -7.970 -1.578 -25.970) 27.211 19.895 ( 8.914 1.275 -4.000) 9.853 20.035 ( -10.853 -1.106 -16.116) 19.461 21.482 ( 20.842 9.620 12.582) 26.177 21.720 ( -2.062 -7.232 9.315) 11.972 23.951 ( -7.162 0.711 1.509) 7.354 24.088 ( -6.037 0.029 -4.812) 7.720 ======================= Grid point 315 (150/432) ======================= q-point: (-0.36 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 9.497 6.331 8.512) 14.238 2.572 ( 0.528 18.281 5.354) 19.056 2.992 ( 1.740 -4.264 0.531) 4.635 3.191 ( 0.709 -12.046 6.366) 13.644 3.595 ( -7.830 -2.765 2.153) 8.578 3.835 ( 17.307 1.150 -4.789) 17.994 4.294 ( 1.729 11.884 16.007) 20.011 4.801 ( -1.971 -15.403 20.903) 26.040 5.021 ( -1.987 -9.398 8.645) 12.923 5.272 ( 5.837 -2.660 10.193) 12.043 5.468 ( -6.749 2.067 12.273) 14.158 5.982 ( -0.555 0.100 11.225) 11.240 6.099 ( -1.101 -0.435 6.114) 6.227 6.533 ( 3.759 -2.905 -0.622) 4.791 7.273 ( -10.018 1.771 -9.077) 13.634 7.844 ( 2.777 6.890 -2.213) 7.751 8.578 ( -12.741 -15.762 3.063) 20.498 8.938 ( 0.054 3.534 4.698) 5.879 9.202 ( 7.729 -6.866 7.277) 12.643 10.202 ( 2.673 4.483 12.920) 13.934 11.614 ( -0.647 29.759 -10.998) 31.733 11.930 ( -13.706 0.417 -1.116) 13.758 12.092 ( 6.392 -0.677 -9.212) 11.233 12.565 ( -3.863 9.795 4.325) 11.383 12.775 ( 0.604 -16.044 -0.653) 16.068 13.496 ( 9.673 4.308 11.795) 15.851 13.738 ( -14.082 -0.701 -4.530) 14.809 14.507 ( 2.953 -9.275 -23.539) 25.473 17.791 ( 9.459 -5.641 15.101) 18.690 18.567 ( -7.651 -2.790 -19.205) 20.861 19.750 ( -8.564 -3.046 -13.196) 16.023 19.931 ( 5.007 1.070 -4.415) 6.761 21.553 ( -2.060 11.309 4.747) 12.437 22.070 ( 19.585 -4.737 11.125) 23.017 23.863 ( -7.454 0.408 -0.671) 7.495 23.930 ( -5.021 1.460 -6.814) 8.589 ======================= Grid point 316 (151/432) ======================= q-point: (-0.27 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.714 14.178 1.452) 14.270 2.608 ( 12.133 3.755 11.839) 17.363 3.049 ( 3.987 -1.658 -1.442) 4.553 3.321 ( 1.471 -6.766 0.310) 6.931 3.528 ( -11.841 -6.632 2.514) 13.803 4.008 ( 19.878 0.438 -7.657) 21.307 4.435 ( 4.811 10.623 16.603) 20.289 5.090 ( -0.785 -5.927 12.384) 13.752 5.166 ( -1.983 -8.805 7.074) 11.468 5.481 ( -9.429 2.365 13.449) 16.595 5.541 ( 1.148 -10.030 16.802) 19.602 6.073 ( -1.920 3.200 10.966) 11.584 6.222 ( 1.891 -3.336 11.849) 12.455 6.610 ( 4.231 -3.446 0.328) 5.466 6.995 ( -11.403 1.997 -11.933) 16.626 7.791 ( 0.210 6.810 1.781) 7.042 8.610 ( -9.173 -18.230 1.250) 20.446 8.980 ( 0.809 -0.111 4.401) 4.476 9.449 ( 7.012 -6.509 7.385) 12.086 10.320 ( 1.903 8.394 11.460) 14.332 11.236 ( -0.707 26.596 -10.732) 28.688 11.675 ( -16.851 1.709 -6.320) 18.078 12.099 ( 8.282 -0.614 -7.455) 11.160 12.456 ( -1.179 14.293 1.186) 14.390 12.895 ( -0.897 -13.300 -0.095) 13.331 13.429 ( -13.568 1.284 -2.603) 13.875 13.814 ( 9.517 3.628 12.939) 16.467 14.343 ( -0.007 -11.661 -22.330) 25.192 18.083 ( 2.665 -5.576 9.527) 11.356 18.366 ( 0.071 -3.999 -8.916) 9.772 19.560 ( -5.733 -4.715 -9.477) 12.038 19.903 ( -1.386 2.609 -2.673) 3.984 21.448 ( -1.645 9.246 -2.261) 9.660 22.461 ( 17.848 -0.014 10.213) 20.564 23.703 ( -5.312 4.155 -6.362) 9.272 23.840 ( -2.940 -2.452 -2.444) 4.542 ======================= Grid point 317 (152/432) ======================= q-point: (-0.18 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -5.945 5.579 1.441) 8.279 2.877 ( 9.346 2.831 8.544) 12.976 3.094 ( 5.189 -0.122 -0.147) 5.192 3.368 ( 4.117 -2.834 -4.108) 6.469 3.485 ( -9.621 -6.931 5.060) 12.892 4.132 ( 18.581 0.201 -15.119) 23.955 4.603 ( 6.330 8.456 13.057) 16.795 5.130 ( -1.267 6.296 -0.025) 6.422 5.262 ( -4.890 -3.040 7.574) 9.514 5.486 ( -10.708 1.405 12.766) 16.722 5.779 ( -10.969 -13.376 14.474) 22.555 6.189 ( -1.682 -1.581 12.658) 12.866 6.454 ( 1.077 -5.368 15.359) 16.306 6.662 ( -5.655 1.476 0.239) 5.849 6.752 ( 0.476 -0.684 -2.224) 2.375 7.813 ( 4.846 1.568 3.139) 5.983 8.649 ( -10.941 -16.536 2.168) 19.946 9.070 ( 2.302 -4.840 4.399) 6.933 9.601 ( 0.215 0.278 3.336) 3.354 10.379 ( 2.103 8.524 7.393) 11.477 10.945 ( 2.833 17.746 -8.162) 19.738 11.344 ( -17.353 3.210 -7.784) 19.288 12.140 ( 9.368 0.868 -5.429) 10.862 12.357 ( 1.997 12.465 1.377) 12.699 12.957 ( -4.439 -12.410 -2.195) 13.362 13.263 ( -8.358 1.193 1.620) 8.596 13.972 ( 2.640 3.354 -0.978) 4.379 14.264 ( 5.470 -8.164 -5.793) 11.408 18.111 ( -4.600 -0.666 -0.722) 4.704 18.459 ( 8.066 -7.722 -0.178) 11.167 19.453 ( -1.076 -2.076 -6.923) 7.307 19.769 ( -11.520 7.376 0.978) 13.714 21.345 ( 2.876 2.029 -7.126) 7.948 22.753 ( 12.890 5.140 8.868) 16.469 23.559 ( 0.856 4.384 -6.479) 7.870 23.817 ( -2.533 -5.122 -0.836) 5.775 ======================= Grid point 318 (153/432) ======================= q-point: (-0.09 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -9.738 -4.988 2.572) 11.239 2.918 ( -5.676 -3.951 -1.204) 7.020 3.199 ( 4.136 1.275 2.505) 5.001 3.420 ( 7.988 -0.294 -3.100) 8.574 3.501 ( -2.556 1.640 7.578) 8.164 4.125 ( 11.822 -0.437 -19.811) 23.074 4.733 ( 7.162 7.234 4.386) 11.085 5.034 ( -1.918 7.698 -0.441) 7.946 5.241 ( -8.646 5.038 5.152) 11.256 5.464 ( -10.609 -1.305 8.165) 13.451 5.836 ( -13.943 -6.480 10.659) 18.708 6.150 ( -10.134 1.330 -6.932) 12.350 6.547 ( -5.532 -12.611 8.548) 16.208 6.745 ( -1.371 1.811 8.913) 9.198 6.934 ( 2.764 -1.180 26.103) 26.276 7.949 ( 12.321 -1.459 -0.748) 12.430 8.642 ( -16.694 -11.819 6.695) 21.522 9.208 ( 1.768 -6.614 4.459) 8.171 9.518 ( -4.582 7.393 -2.398) 9.022 10.406 ( 0.309 5.430 1.357) 5.606 10.832 ( 1.684 -4.141 -8.421) 9.534 11.054 ( -5.689 10.199 -1.289) 11.749 12.204 ( 9.106 2.015 -1.919) 9.522 12.345 ( 3.833 5.755 3.057) 7.560 12.958 ( -4.468 -10.655 -2.187) 11.759 13.219 ( -2.329 3.513 4.444) 6.125 13.844 ( -4.996 -2.831 -12.921) 14.140 14.440 ( 11.479 2.459 7.435) 13.896 18.025 ( -4.351 0.767 -4.846) 6.557 18.603 ( 7.780 -6.166 -3.454) 10.511 19.381 ( 0.478 7.983 -4.055) 8.967 19.547 ( -13.438 6.074 4.162) 15.323 21.336 ( 6.007 -7.361 -9.050) 13.121 22.899 ( 5.030 10.588 7.326) 13.823 23.513 ( 7.166 3.354 -4.922) 9.318 23.844 ( -1.727 -7.133 1.579) 7.508 ======================= Grid point 325 (154/432) ======================= q-point: (-0.45 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 7.911 0.000 7.402) 10.834 2.790 ( -6.059 -0.000 1.063) 6.152 2.956 ( 4.661 0.000 3.777) 5.999 3.029 ( 5.457 0.000 8.432) 10.044 3.568 ( -9.496 -0.000 1.765) 9.659 3.841 ( 20.327 0.000 -10.040) 22.671 4.516 ( 7.713 0.000 13.843) 15.846 4.547 ( -8.192 -0.000 26.397) 27.639 4.938 ( -4.123 -0.000 10.467) 11.250 5.254 ( 6.811 0.000 8.131) 10.607 5.488 ( -5.606 -0.000 13.079) 14.230 5.985 ( 0.466 0.000 12.297) 12.306 6.094 ( -0.794 -0.000 4.617) 4.685 6.507 ( 3.718 0.000 -0.636) 3.772 7.288 ( -10.018 -0.000 -10.048) 14.189 7.927 ( 8.958 0.000 -3.604) 9.656 8.418 ( -19.255 -0.000 6.359) 20.278 8.982 ( -1.137 -0.000 3.822) 3.987 9.134 ( 8.343 0.000 7.809) 11.427 10.239 ( 3.046 0.000 13.636) 13.972 11.902 ( -15.072 -0.000 -9.439) 17.784 12.000 ( 2.831 0.000 -9.746) 10.149 12.044 ( 4.533 0.000 -9.143) 10.205 12.576 ( 0.479 0.000 2.811) 2.851 12.657 ( -4.571 -0.000 8.391) 9.556 13.536 ( 11.839 0.000 13.571) 18.010 13.726 ( -17.364 -0.000 -6.116) 18.410 14.425 ( 3.776 0.000 -23.888) 24.185 17.744 ( 9.903 0.000 14.995) 17.970 18.543 ( -7.071 -0.000 -19.366) 20.616 19.724 ( -8.991 -0.000 -13.742) 16.422 19.939 ( 5.327 0.000 -4.887) 7.229 21.663 ( -5.388 -0.000 2.767) 6.057 22.018 ( 23.386 0.000 13.741) 27.124 23.865 ( -7.189 -0.000 0.004) 7.189 23.943 ( -5.454 -0.000 -7.549) 9.314 ======================= Grid point 327 (155/432) ======================= q-point: (-0.36 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 2.465 6.219 2.034) 6.992 2.650 ( 2.475 1.071 4.373) 5.138 3.060 ( 8.461 2.436 0.653) 8.829 3.219 ( 5.520 -4.977 5.488) 9.239 3.436 ( -14.292 -3.363 0.922) 14.712 4.002 ( 22.827 -0.502 -12.111) 25.846 4.635 ( 3.954 12.735 13.165) 18.738 4.896 ( -1.007 -14.534 19.838) 24.613 5.052 ( -3.908 -3.370 16.509) 17.297 5.435 ( 1.479 -1.762 10.486) 10.735 5.544 ( -5.232 1.841 10.161) 11.576 6.127 ( -0.528 3.061 11.109) 11.535 6.174 ( 0.756 -2.685 10.683) 11.041 6.564 ( 5.602 -1.671 -0.632) 5.880 7.020 ( -10.756 0.832 -12.048) 16.173 7.943 ( 4.048 9.766 -1.779) 10.720 8.318 ( -15.761 -14.270 6.370) 22.195 8.997 ( -0.621 1.078 2.445) 2.744 9.368 ( 9.054 -2.797 9.539) 13.446 10.413 ( 1.704 2.768 12.343) 12.764 11.526 ( -12.800 5.430 -17.437) 22.302 11.830 ( -2.097 16.808 -5.274) 17.740 12.054 ( 5.780 -6.304 -8.151) 11.815 12.615 ( -0.868 1.206 0.739) 1.659 12.695 ( -4.077 -5.186 5.871) 8.831 13.435 ( -16.638 -0.080 -3.577) 17.018 13.854 ( 11.483 0.994 15.014) 18.928 14.196 ( 0.612 -4.874 -23.630) 24.135 18.021 ( 5.925 -1.858 11.835) 13.365 18.321 ( -1.782 -1.360 -9.338) 9.603 19.503 ( -4.749 -1.838 -9.856) 11.093 19.927 ( 0.807 0.598 -3.774) 3.906 21.575 ( -3.017 4.603 -4.776) 7.287 22.454 ( 18.309 -0.486 14.073) 23.098 23.757 ( -5.531 2.490 -4.338) 7.457 23.800 ( -3.831 -2.164 -5.645) 7.157 ======================= Grid point 328 (156/432) ======================= q-point: (-0.27 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -13.393 2.973 -3.881) 14.258 2.905 ( 7.401 0.745 5.752) 9.403 3.127 ( 5.288 3.397 1.591) 6.483 3.320 ( -0.291 -3.553 -0.295) 3.577 3.392 ( 2.431 -3.018 5.392) 6.640 4.131 ( 21.046 -0.296 -17.177) 27.168 4.723 ( 4.312 5.635 6.697) 9.757 5.154 ( 0.248 -5.364 9.412) 10.836 5.213 ( -4.954 -0.170 15.154) 15.944 5.492 ( -10.040 -0.721 8.240) 13.009 5.616 ( -8.305 -4.385 16.358) 18.862 6.181 ( -3.637 0.181 7.555) 8.386 6.386 ( 0.300 -2.594 14.859) 15.087 6.667 ( 5.779 -0.825 1.060) 5.933 6.761 ( -4.637 1.336 -5.938) 7.651 7.886 ( 0.308 7.577 2.882) 8.112 8.349 ( -11.592 -17.919 4.023) 21.717 9.022 ( 0.892 -1.431 2.118) 2.707 9.592 ( 5.803 -0.866 7.766) 9.733 10.503 ( -0.099 5.655 7.581) 9.458 11.112 ( -12.600 2.720 -19.047) 22.999 11.576 ( -3.594 22.110 -2.481) 22.537 12.114 ( 8.879 -4.617 -5.806) 11.570 12.545 ( -3.842 8.772 1.147) 9.645 12.745 ( -4.850 -11.781 -0.559) 12.752 13.260 ( -8.705 -0.821 1.944) 8.957 13.957 ( -3.184 -4.629 -16.529) 17.458 14.188 ( 12.645 -0.682 10.626) 16.531 18.126 ( -1.584 2.107 2.026) 3.324 18.339 ( 5.396 -6.308 0.819) 8.342 19.414 ( 1.072 -2.002 -4.447) 4.993 19.854 ( -6.062 2.851 -1.213) 6.808 21.417 ( 0.498 5.016 -11.440) 12.502 22.815 ( 12.622 2.328 14.489) 19.356 23.620 ( 0.374 3.027 -7.835) 8.408 23.734 ( -4.146 -4.461 -2.377) 6.537 ======================= Grid point 329 (157/432) ======================= q-point: (-0.18 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -16.584 -3.370 -1.183) 16.965 2.834 ( -14.685 -5.807 -3.697) 16.219 3.241 ( 4.557 3.421 4.413) 7.207 3.412 ( 8.930 0.628 1.034) 9.011 3.539 ( 9.035 2.070 6.825) 11.510 4.125 ( 12.780 0.218 -22.814) 26.151 4.804 ( 4.323 1.219 1.774) 4.829 5.141 ( -4.753 5.068 -0.960) 7.014 5.329 ( -3.046 3.519 11.912) 12.789 5.420 ( -11.777 -2.691 4.468) 12.880 5.729 ( -13.363 -4.948 18.426) 23.293 6.171 ( -8.048 0.842 -3.040) 8.644 6.375 ( -8.230 -7.548 2.492) 11.442 6.779 ( 3.599 2.025 6.236) 7.479 6.924 ( 5.937 -0.175 24.202) 24.920 7.930 ( 7.393 -0.122 1.505) 7.546 8.380 ( -14.892 -17.075 5.532) 23.322 9.101 ( 2.823 -5.390 2.488) 6.574 9.657 ( -1.791 7.230 2.403) 7.827 10.509 ( -0.956 6.359 1.500) 6.603 10.743 ( -10.592 -4.215 -16.181) 19.794 11.350 ( 0.152 21.255 0.070) 21.255 12.211 ( 9.100 -1.381 -3.342) 9.792 12.433 ( -7.588 3.945 3.326) 9.177 12.781 ( 0.285 -9.986 -1.650) 10.125 13.246 ( -1.632 0.422 5.002) 5.279 13.760 ( -5.584 -6.568 -15.410) 17.657 14.483 ( 13.254 2.454 11.787) 17.906 18.057 ( -3.601 2.810 -4.436) 6.367 18.494 ( 7.622 -6.384 1.464) 10.050 19.443 ( 5.882 1.289 -0.278) 6.028 19.681 ( -13.930 7.523 1.496) 15.902 21.277 ( 5.097 -0.274 -14.635) 15.499 23.052 ( 4.390 7.693 13.457) 16.110 23.559 ( 8.111 2.118 -8.039) 11.614 23.718 ( -4.169 -7.483 1.073) 8.633 ======================= Grid point 330 (158/432) ======================= q-point: (-0.09 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -18.156 -10.080 1.756) 20.841 2.656 ( -18.220 -12.880 -2.082) 22.410 3.268 ( 2.875 5.327 -0.146) 6.055 3.485 ( 2.193 4.100 1.368) 4.847 3.699 ( 7.607 6.265 3.264) 10.381 3.963 ( 1.849 -3.521 -20.070) 20.460 4.833 ( 2.031 0.695 -3.147) 3.809 4.970 ( -11.227 3.898 -3.963) 12.527 5.299 ( -2.992 8.127 5.546) 10.284 5.425 ( -3.868 0.485 6.731) 7.779 5.752 ( -13.532 -1.224 11.268) 17.652 5.941 ( -9.925 1.689 -6.664) 12.073 6.495 ( -2.343 -12.566 9.019) 15.644 6.812 ( -3.314 4.305 5.069) 7.431 7.295 ( -1.037 1.546 31.334) 31.389 8.063 ( 13.358 -1.474 -7.521) 15.400 8.398 ( -17.437 -17.035 11.684) 27.032 9.228 ( 2.690 -5.618 3.186) 6.996 9.522 ( -3.249 11.111 -1.852) 11.723 10.274 ( -14.791 -0.502 -12.702) 19.503 10.680 ( 4.213 -2.921 -0.847) 5.196 11.251 ( 5.968 12.915 1.371) 14.293 12.272 ( 4.708 -0.500 -3.061) 5.638 12.390 ( -8.126 -4.182 7.440) 11.785 12.908 ( 9.330 -5.817 1.093) 11.049 13.291 ( 1.052 3.022 5.072) 5.997 13.566 ( -7.887 -5.624 -11.852) 15.307 14.753 ( 14.374 5.447 9.302) 17.967 17.874 ( -5.006 1.913 -14.331) 15.300 18.680 ( 10.664 -2.236 3.980) 11.599 19.388 ( -12.978 11.145 1.244) 17.152 19.559 ( 5.111 2.759 3.129) 6.597 21.222 ( 6.933 -7.098 -14.678) 17.716 23.093 ( -4.347 11.995 8.505) 15.333 23.595 ( 11.404 1.150 -6.752) 13.303 23.799 ( -1.611 -8.154 8.286) 11.736 ======================= Grid point 338 (159/432) ======================= q-point: (-0.36 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -16.663 -0.000 -5.213) 17.460 2.909 ( 6.387 0.000 4.437) 7.777 3.165 ( 1.058 0.000 1.272) 1.655 3.286 ( 3.003 0.000 0.193) 3.009 3.368 ( 6.943 0.000 7.541) 10.250 4.127 ( 22.211 0.000 -17.838) 28.487 4.777 ( 2.692 0.000 -0.955) 2.856 5.080 ( -1.216 -0.000 20.000) 20.037 5.216 ( -2.114 -0.000 17.730) 17.856 5.484 ( -7.341 -0.000 6.395) 9.736 5.592 ( -9.661 -0.000 14.736) 17.620 6.184 ( -4.480 -0.000 5.006) 6.718 6.365 ( -0.110 -0.000 15.538) 15.539 6.656 ( 9.710 0.000 0.783) 9.741 6.775 ( -5.905 -0.000 -6.738) 8.959 8.040 ( 7.327 0.000 -5.223) 8.998 8.106 ( -21.224 -0.000 13.194) 24.990 9.012 ( 0.161 0.000 0.887) 0.902 9.583 ( 7.655 0.000 9.426) 12.143 10.552 ( -0.244 -0.000 7.836) 7.840 11.126 ( -16.661 -0.000 -19.593) 25.719 11.901 ( -1.504 -0.000 -8.373) 8.507 11.967 ( 9.765 0.000 -3.161) 10.264 12.614 ( 0.090 0.000 0.375) 0.386 12.638 ( -11.387 -0.000 2.626) 11.686 13.252 ( -8.399 -0.000 2.291) 8.706 13.902 ( -2.551 -0.000 -20.336) 20.496 14.190 ( 12.615 0.000 14.282) 19.056 18.156 ( 0.282 0.000 4.186) 4.196 18.274 ( 3.619 0.000 -0.041) 3.619 19.396 ( 2.146 0.000 -3.872) 4.427 19.876 ( -4.334 -0.000 -1.815) 4.699 21.466 ( -0.008 -0.000 -13.214) 13.214 22.833 ( 12.312 0.000 17.121) 21.088 23.661 ( 1.985 0.000 -11.095) 11.271 23.679 ( -6.583 -0.000 -0.407) 6.595 ======================= Grid point 339 (160/432) ======================= q-point: (-0.27 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -20.830 -1.058 -1.919) 20.945 2.748 ( -20.513 -3.358 -5.585) 21.524 3.287 ( 5.389 1.461 5.990) 8.189 3.459 ( 16.424 3.954 1.820) 16.991 3.547 ( 8.520 -1.299 6.683) 10.906 4.128 ( 14.094 0.170 -24.506) 28.271 4.798 ( 1.387 -0.863 0.396) 1.681 5.164 ( -5.512 -1.496 -0.485) 5.732 5.352 ( -3.216 1.378 13.219) 13.674 5.423 ( -7.407 0.996 2.411) 7.853 5.685 ( -13.199 -0.853 25.594) 28.809 6.172 ( -4.957 -0.486 3.150) 5.893 6.298 ( -12.334 -1.967 -5.951) 13.835 6.805 ( 9.688 0.855 2.101) 9.950 6.923 ( 6.804 -0.045 23.940) 24.888 7.965 ( -7.777 4.527 8.237) 12.199 8.128 ( -6.402 -11.725 1.648) 13.460 9.039 ( 2.038 -1.934 0.473) 2.850 9.738 ( 2.448 2.404 5.944) 6.863 10.602 ( -0.804 4.310 1.355) 4.589 10.687 ( -14.069 -2.715 -17.243) 22.419 11.688 ( -2.030 15.858 -6.770) 17.362 12.140 ( 10.548 -6.430 -1.363) 12.428 12.475 ( -15.104 1.524 3.129) 15.500 12.649 ( 1.827 -4.932 0.810) 5.322 13.253 ( -0.126 0.508 5.556) 5.581 13.661 ( -4.123 -3.941 -16.940) 17.875 14.514 ( 12.983 1.002 13.579) 18.814 18.104 ( -3.930 2.030 -6.124) 7.555 18.407 ( 7.918 -3.224 5.891) 10.383 19.455 ( 7.029 0.315 2.253) 7.388 19.763 ( -10.596 2.308 0.202) 10.846 21.295 ( 4.076 1.277 -18.928) 19.404 23.148 ( 4.206 3.365 19.772) 20.493 23.584 ( 6.282 0.954 -8.554) 10.655 23.615 ( -3.829 -4.064 -2.497) 6.117 ======================= Grid point 340 (161/432) ======================= q-point: (-0.18 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -23.056 -4.669 3.802) 23.829 2.447 ( -24.495 -10.829 -4.071) 27.089 3.366 ( 5.147 5.260 1.198) 7.456 3.573 ( 3.874 6.400 3.469) 8.246 3.756 ( 9.389 0.432 2.535) 9.735 3.923 ( 0.099 -1.398 -24.351) 24.391 4.819 ( -0.234 -1.335 -1.501) 2.022 5.000 ( -13.181 -1.071 -5.417) 14.291 5.378 ( -1.188 2.953 5.287) 6.171 5.441 ( -0.868 0.548 6.635) 6.714 5.766 ( -12.347 2.532 16.103) 20.450 5.987 ( -10.359 3.851 -5.960) 12.556 6.301 ( -2.420 -10.252 8.119) 13.300 6.894 ( 3.247 4.821 1.868) 6.105 7.315 ( 2.061 0.799 31.138) 31.217 8.010 ( 0.733 -6.974 5.555) 8.946 8.128 ( -11.292 -9.980 2.665) 15.304 9.117 ( 4.394 -5.760 0.654) 7.274 9.723 ( -2.797 10.039 1.439) 10.520 10.243 ( -15.209 -1.686 -17.682) 23.384 10.703 ( 6.514 2.877 3.107) 7.770 11.476 ( -0.493 12.326 -5.268) 13.413 12.257 ( 6.342 -2.087 -4.150) 7.861 12.335 ( -15.271 -0.473 8.761) 17.612 12.795 ( 8.014 -7.697 4.252) 11.897 13.327 ( 2.620 1.811 5.033) 5.956 13.468 ( -5.621 -5.400 -12.439) 14.679 14.820 ( 14.359 2.652 11.369) 18.506 17.904 ( -4.848 1.458 -15.590) 16.392 18.641 ( 11.091 -1.992 8.751) 14.267 19.548 ( -10.428 7.016 0.600) 12.583 19.599 ( 2.952 1.881 4.554) 5.744 21.146 ( 7.456 -2.305 -19.893) 21.369 23.276 ( -4.869 9.856 12.043) 16.306 23.589 ( 4.383 -3.362 -7.415) 9.247 23.676 ( 5.329 -4.778 8.318) 10.974 ======================= Grid point 341 (162/432) ======================= q-point: (-0.09 -0.36 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -24.115 -8.540 7.607) 26.690 2.236 ( -23.093 -18.493 -0.002) 29.585 3.333 ( -4.426 4.826 -8.415) 10.663 3.483 ( -4.103 3.077 -6.734) 8.464 3.660 ( -2.819 1.975 -4.046) 5.312 3.877 ( -1.093 1.495 2.353) 2.994 4.725 ( -7.797 -0.404 -6.243) 9.997 4.824 ( -6.977 0.579 -1.184) 7.100 5.416 ( 3.109 6.625 3.791) 8.242 5.502 ( 2.481 1.918 4.345) 5.358 5.670 ( -12.156 0.723 2.037) 12.347 5.845 ( -6.255 5.722 4.082) 9.409 6.475 ( -0.126 -10.789 7.301) 13.028 6.854 ( -5.670 7.560 3.951) 10.243 7.611 ( -6.963 3.839 26.910) 28.061 8.060 ( -4.125 -2.229 -2.882) 5.504 8.221 ( -0.418 -19.725 7.839) 21.230 9.264 ( 6.623 -7.012 1.825) 9.817 9.566 ( -3.513 13.759 -1.734) 14.306 9.925 ( -10.387 -3.683 -11.392) 15.850 10.775 ( 4.810 6.576 1.294) 8.249 11.373 ( 2.866 3.735 -2.952) 5.557 12.246 ( -4.726 -0.913 0.367) 4.827 12.326 ( -6.127 -5.497 8.249) 11.654 13.046 ( 12.912 -6.102 2.190) 14.448 13.296 ( -8.430 -6.461 -4.355) 11.479 13.421 ( 4.360 3.656 3.929) 6.915 15.094 ( 15.910 5.521 7.381) 18.388 17.603 ( -5.209 1.343 -22.773) 23.400 18.916 ( 13.151 0.160 9.915) 16.471 19.289 ( -14.991 7.398 0.572) 16.727 19.726 ( 8.412 3.174 3.989) 9.836 21.067 ( 7.457 -6.603 -17.908) 20.491 23.185 ( -9.346 12.732 5.901) 16.860 23.614 ( 6.703 -4.475 -6.529) 10.372 23.927 ( 3.659 -2.359 17.727) 18.254 ======================= Grid point 350 (163/432) ======================= q-point: (-0.27 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -24.886 -0.000 5.539) 25.495 2.346 ( -27.129 -0.000 -5.617) 27.705 3.413 ( 6.548 0.000 1.731) 6.773 3.658 ( 0.388 0.000 5.056) 5.071 3.734 ( 13.739 0.000 2.073) 13.894 3.911 ( -0.703 -0.000 -27.036) 27.045 4.807 ( -0.521 -0.000 0.988) 1.117 4.977 ( -13.785 -0.000 -6.306) 15.159 5.416 ( 0.655 0.000 3.800) 3.856 5.434 ( -1.444 -0.000 6.769) 6.921 5.796 ( -12.510 -0.000 16.453) 20.668 6.044 ( -10.960 -0.000 -3.259) 11.434 6.189 ( -1.544 -0.000 6.725) 6.900 6.942 ( 9.004 0.000 -0.948) 9.054 7.322 ( 2.735 0.000 31.460) 31.578 7.907 ( -22.685 -0.000 17.674) 28.758 8.075 ( 6.134 0.000 -6.430) 8.887 9.066 ( 3.946 0.000 -0.548) 3.983 9.812 ( -1.068 -0.000 3.157) 3.333 10.230 ( -14.900 -0.000 -19.162) 24.273 10.731 ( 6.954 0.000 4.012) 8.028 11.593 ( -4.694 -0.000 -9.996) 11.043 12.229 ( 7.637 0.000 -2.936) 8.182 12.353 ( -14.731 -0.000 9.302) 17.422 12.705 ( 4.274 0.000 6.511) 7.789 13.351 ( 3.842 0.000 5.447) 6.665 13.412 ( -4.284 -0.000 -13.754) 14.406 14.842 ( 14.187 0.000 12.096) 18.643 17.917 ( -4.840 -0.000 -16.364) 17.065 18.623 ( 11.056 0.000 10.763) 15.430 19.609 ( 8.067 0.000 5.563) 9.800 19.614 ( -14.659 -0.000 0.304) 14.662 21.130 ( 7.400 0.000 -22.521) 23.706 23.393 ( -2.941 -0.000 15.160) 15.442 23.511 ( -7.622 -0.000 1.779) 7.827 23.650 ( 15.135 0.000 -2.554) 15.349 ======================= Grid point 351 (164/432) ======================= q-point: (-0.18 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -26.855 -0.470 13.623) 30.116 1.969 ( -28.527 -10.788 -2.104) 30.571 3.391 ( -16.907 1.754 -23.013) 28.610 3.510 ( 3.805 0.498 -0.600) 3.884 3.736 ( -2.189 5.677 3.324) 6.933 3.871 ( 1.286 -2.337 1.188) 2.920 4.727 ( -9.908 0.719 -4.891) 11.073 4.803 ( -4.322 -2.078 -0.548) 4.827 5.494 ( 4.187 2.761 4.838) 6.968 5.515 ( 3.872 -0.040 4.607) 6.018 5.674 ( -13.269 -0.039 -0.819) 13.294 5.961 ( -6.265 5.983 6.787) 11.005 6.313 ( 1.136 -7.038 8.458) 11.061 6.988 ( 3.811 6.360 -1.808) 7.631 7.657 ( -4.365 1.479 26.395) 26.795 7.869 ( -23.062 -12.484 19.528) 32.697 8.086 ( 7.755 -0.704 -6.417) 10.090 9.146 ( 7.140 -4.543 -0.441) 8.474 9.775 ( -3.232 8.259 -0.060) 8.869 9.883 ( -8.016 -1.623 -14.224) 16.407 10.867 ( 8.351 3.122 3.102) 9.439 11.418 ( -3.453 1.139 -8.209) 8.978 12.248 ( 3.374 -0.590 -5.792) 6.729 12.307 ( -13.581 3.519 17.458) 22.397 12.900 ( 5.947 -8.497 8.415) 13.356 13.225 ( -4.939 -1.820 -9.945) 11.252 13.462 ( 5.173 1.234 4.206) 6.780 15.154 ( 15.767 1.732 9.050) 18.262 17.619 ( -4.712 0.525 -23.864) 24.331 18.912 ( 12.452 -0.304 11.886) 17.217 19.389 ( -16.035 3.488 -1.595) 16.487 19.767 ( 6.771 1.415 5.698) 8.962 20.992 ( 8.923 -2.315 -21.009) 22.943 23.374 ( -6.569 9.605 4.584) 12.506 23.519 ( 2.146 -6.752 -1.812) 7.313 23.901 ( 6.911 -0.774 17.567) 18.894 ======================= Grid point 352 (165/432) ======================= q-point: (-0.09 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -28.188 -2.790 13.492) 31.375 1.782 ( -25.307 -19.896 5.300) 32.625 2.821 ( -32.536 -7.086 -17.221) 37.488 3.569 ( 4.671 4.567 2.662) 7.054 3.675 ( -4.965 7.026 3.384) 9.245 3.846 ( -6.601 0.346 0.836) 6.663 4.600 ( -4.177 1.712 -0.497) 4.541 4.741 ( -4.459 -0.495 -1.291) 4.668 5.488 ( -8.567 1.544 2.810) 9.147 5.585 ( 5.156 4.512 2.291) 7.224 5.660 ( 4.230 0.068 5.933) 7.287 5.856 ( -6.673 7.817 -1.438) 10.378 6.485 ( 2.729 -6.999 4.741) 8.883 6.895 ( -6.335 12.407 3.192) 14.292 7.725 ( -14.648 -1.398 10.308) 17.966 7.946 ( -11.887 -5.062 15.466) 20.152 8.215 ( 9.861 -12.636 0.779) 16.047 9.327 ( 11.176 -8.531 0.395) 14.065 9.594 ( -3.541 10.076 -4.534) 11.602 9.734 ( -2.946 1.036 -4.061) 5.123 10.917 ( 3.596 11.542 -0.222) 12.091 11.330 ( -0.768 -5.503 -4.112) 6.912 12.193 ( -4.731 3.799 0.557) 6.093 12.349 ( -6.766 0.799 14.045) 15.611 13.056 ( -1.024 -0.119 -9.697) 9.752 13.217 ( 4.641 -17.630 11.921) 21.782 13.557 ( 5.363 2.491 2.874) 6.575 15.414 ( 16.294 4.696 3.662) 17.348 17.262 ( -5.917 0.152 -23.296) 24.036 19.137 ( -12.787 2.317 -2.815) 13.297 19.213 ( 12.980 -0.034 10.854) 16.921 19.891 ( 5.925 1.730 4.236) 7.486 20.911 ( 7.753 -4.390 -17.701) 19.817 23.220 ( -11.025 13.608 4.686) 18.130 23.595 ( 7.539 -5.250 -4.750) 10.342 24.209 ( 2.831 1.037 23.962) 24.151 ======================= Grid point 362 (166/432) ======================= q-point: (-0.18 -0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -27.705 -0.000 22.581) 35.742 1.513 ( -30.245 -0.000 0.975) 30.261 2.764 ( -35.565 -0.000 -19.392) 40.508 3.606 ( 5.388 0.000 1.496) 5.592 3.756 ( -6.821 -0.000 5.128) 8.533 3.832 ( -5.366 -0.000 0.210) 5.371 4.619 ( -2.785 -0.000 2.235) 3.571 4.729 ( -4.472 -0.000 -2.776) 5.264 5.499 ( -10.604 -0.000 2.499) 10.894 5.632 ( 7.654 0.000 3.202) 8.297 5.651 ( 3.490 0.000 6.152) 7.073 5.935 ( -6.651 -0.000 -2.664) 7.165 6.412 ( 4.008 0.000 6.937) 8.012 7.047 ( 5.070 0.000 -3.686) 6.269 7.646 ( -19.022 -0.000 8.069) 20.663 7.907 ( -16.504 -0.000 31.593) 35.644 8.117 ( 8.476 0.000 -4.944) 9.813 9.239 ( 10.932 0.000 0.192) 10.933 9.660 ( -0.185 -0.000 -12.750) 12.751 9.785 ( -3.828 -0.000 0.921) 3.937 11.021 ( 8.070 0.000 1.653) 8.238 11.269 ( -4.954 -0.000 -7.157) 8.704 12.227 ( 4.196 0.000 -5.363) 6.809 12.428 ( -10.856 -0.000 26.384) 28.530 12.987 ( 2.138 0.000 4.515) 4.995 13.065 ( -4.843 -0.000 -5.258) 7.149 13.578 ( 5.378 0.000 2.777) 6.053 15.452 ( 15.996 0.000 4.878) 16.723 17.263 ( -5.831 -0.000 -24.473) 25.158 19.151 ( -12.760 -0.000 0.497) 12.769 19.222 ( 10.612 0.000 5.924) 12.154 19.907 ( 4.095 0.000 5.187) 6.609 20.872 ( 9.189 0.000 -18.303) 20.481 23.360 ( -9.444 -0.000 4.414) 10.425 23.530 ( 8.497 0.000 -3.708) 9.271 24.218 ( 3.530 0.000 25.849) 26.089 ======================= Grid point 363 (167/432) ======================= q-point: (-0.09 -0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -28.210 -2.355 11.017) 30.377 1.391 ( -29.819 -9.009 6.993) 31.926 2.164 ( -42.998 -8.565 8.068) 44.579 3.624 ( -2.744 3.528 -2.070) 4.925 3.716 ( -4.149 0.587 3.617) 5.536 3.787 ( -3.343 1.910 4.784) 6.141 4.600 ( -3.785 4.428 -3.174) 6.634 4.712 ( 1.680 -2.163 8.352) 8.790 5.464 ( -4.010 0.472 8.498) 9.409 5.693 ( -5.652 4.612 -4.142) 8.389 5.748 ( 0.827 2.099 -4.246) 4.808 5.775 ( 2.982 -0.076 2.794) 4.087 6.538 ( 5.360 -1.916 1.409) 5.864 6.992 ( -2.788 17.058 2.813) 17.512 7.537 ( -17.503 -8.929 7.785) 21.135 8.009 ( -7.470 2.695 14.424) 16.465 8.247 ( 10.136 -11.565 -0.786) 15.398 9.419 ( 12.330 -5.917 -0.760) 13.697 9.545 ( 1.978 1.077 -8.723) 9.009 9.718 ( -4.040 5.163 1.325) 6.689 11.012 ( -3.755 13.645 -5.379) 15.140 11.206 ( -0.091 -11.172 -1.962) 11.344 12.217 ( 2.743 6.386 -2.127) 7.268 12.482 ( -10.719 16.938 14.031) 24.468 12.942 ( -1.796 -1.607 -5.643) 6.136 13.201 ( 3.497 -26.625 5.147) 27.342 13.659 ( 4.399 1.388 0.853) 4.691 15.659 ( 14.012 3.006 -1.713) 14.433 17.029 ( -2.306 -0.339 2.229) 3.225 18.936 ( -9.337 -2.311 -6.615) 11.674 19.483 ( 10.343 -0.256 9.593) 14.109 19.996 ( 2.304 -0.228 3.350) 4.072 20.800 ( 8.418 -1.120 -15.672) 17.825 23.243 ( -10.978 11.509 5.891) 16.961 23.619 ( 9.673 -3.132 -4.544) 11.136 24.548 ( 3.946 3.746 21.470) 22.149 ======================= Grid point 374 (168/432) ======================= q-point: (-0.09 -0.09 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -35.292 -0.000 -1.445) 35.322 0.966 ( -24.309 -0.000 16.155) 29.187 1.925 ( -38.274 -0.000 45.182) 59.214 3.547 ( -5.551 -0.000 -2.545) 6.106 3.671 ( -4.068 -0.000 1.479) 4.329 3.869 ( 0.482 0.000 6.477) 6.495 4.508 ( -2.357 -0.000 -5.908) 6.361 4.895 ( 3.498 0.000 14.581) 14.995 5.373 ( -9.328 -0.000 -18.539) 20.753 5.632 ( 2.200 0.000 12.627) 12.817 5.783 ( 1.488 0.000 -3.959) 4.229 5.853 ( 2.180 0.000 8.256) 8.538 6.614 ( 6.377 0.000 -0.519) 6.398 7.116 ( 1.699 0.000 0.147) 1.705 7.375 ( -17.216 -0.000 13.163) 21.671 8.010 ( -7.612 -0.000 -7.118) 10.422 8.304 ( 9.492 0.000 0.316) 9.497 9.465 ( 0.993 0.000 -5.547) 5.635 9.551 ( 12.644 0.000 -1.767) 12.767 9.723 ( -2.779 -0.000 3.896) 4.786 10.782 ( -26.538 -0.000 -11.743) 29.020 11.170 ( 3.823 0.000 -2.026) 4.327 12.277 ( 4.800 0.000 -3.035) 5.679 12.510 ( -13.834 -0.000 -7.144) 15.570 12.782 ( -2.892 -0.000 -8.302) 8.791 13.106 ( -1.838 -0.000 5.405) 5.709 13.708 ( 2.790 0.000 -1.398) 3.121 15.770 ( 9.339 0.000 -8.174) 12.411 17.526 ( 34.985 0.000 49.832) 60.886 18.734 ( -5.057 -0.000 -8.348) 9.760 19.689 ( 4.832 0.000 8.210) 9.527 20.022 ( -0.844 -0.000 -0.161) 0.860 20.746 ( 10.169 0.000 -13.774) 17.121 23.247 ( -9.152 -0.000 7.456) 11.804 23.681 ( 9.371 0.000 -4.341) 10.328 24.688 ( -7.368 -0.000 -9.946) 12.378 ======================= Grid point 375 (169/432) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -3.896 -0.000 28.987) 29.248 1.868 ( 7.348 0.000 21.847) 23.050 3.133 ( -5.865 -0.000 32.345) 32.872 3.318 ( -0.794 -0.000 -5.111) 5.173 3.846 ( 4.096 0.000 2.628) 4.867 3.908 ( 1.292 0.000 -8.119) 8.221 4.429 ( 0.554 0.000 1.500) 1.598 4.701 ( 3.962 0.000 -16.413) 16.885 5.438 ( -2.108 -0.000 -1.783) 2.761 5.534 ( -7.895 -0.000 16.762) 18.528 6.149 ( -4.118 -0.000 14.482) 15.056 6.450 ( -6.908 -0.000 17.093) 18.437 6.788 ( 3.825 0.000 1.933) 4.286 6.821 ( -6.167 -0.000 -8.829) 10.770 7.123 ( -8.670 -0.000 2.128) 8.927 7.933 ( -15.989 -0.000 31.701) 35.504 8.848 ( 3.769 0.000 12.548) 13.102 9.196 ( 3.449 0.000 -1.580) 3.794 9.631 ( -11.997 -0.000 -2.193) 12.196 9.872 ( -0.338 -0.000 -1.037) 1.091 10.486 ( 16.647 0.000 9.992) 19.416 11.010 ( 0.332 0.000 -8.534) 8.540 11.912 ( -0.115 -0.000 -13.244) 13.245 12.455 ( -3.941 -0.000 -6.674) 7.751 12.598 ( -1.933 -0.000 14.131) 14.263 13.337 ( 8.473 0.000 1.707) 8.643 13.586 ( -1.377 -0.000 -3.929) 4.163 15.097 ( -1.676 -0.000 -22.199) 22.262 18.403 ( 8.894 0.000 -8.819) 12.525 19.335 ( -12.846 -0.000 -13.866) 18.902 19.571 ( -17.021 -0.000 -2.981) 17.280 19.682 ( 21.078 0.000 -2.488) 21.224 21.006 ( 25.306 0.000 5.362) 25.868 22.851 ( -37.636 -0.000 -7.345) 38.346 23.358 ( -7.677 -0.000 5.474) 9.429 23.780 ( 7.834 0.000 -3.488) 8.575 ======================= Grid point 376 (170/432) ======================= q-point: ( 0.09 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.424 -1.290 28.724) 28.756 2.196 ( 7.852 -3.543 17.545) 19.546 3.256 ( 2.186 2.037 -6.061) 6.758 3.430 ( 1.499 -3.589 16.739) 17.185 3.779 ( 0.400 5.983 -9.802) 11.490 3.942 ( 3.470 -3.639 1.589) 5.273 4.378 ( -0.373 7.359 -4.621) 8.698 4.600 ( 0.952 -9.107 -11.049) 14.350 5.445 ( -0.862 1.119 6.294) 6.450 5.603 ( -9.861 -1.539 14.229) 17.380 6.213 ( -8.166 0.106 9.678) 12.663 6.589 ( -7.596 2.631 28.028) 29.158 6.619 ( -8.036 1.756 -6.883) 10.726 6.843 ( 2.220 2.267 2.410) 3.984 7.080 ( -4.733 1.405 4.241) 6.509 8.085 ( -15.129 4.180 30.078) 33.926 8.956 ( -2.339 3.079 7.270) 8.235 9.378 ( 10.799 -10.809 6.567) 16.631 9.478 ( -7.878 0.486 -0.322) 7.899 9.830 ( -1.293 0.120 -3.039) 3.305 10.685 ( 11.097 20.627 1.712) 23.485 11.080 ( 7.301 -25.011 -1.277) 26.086 11.792 ( 4.528 -0.110 -13.358) 14.105 12.268 ( -4.075 7.651 -8.231) 11.954 12.773 ( -1.803 -9.467 11.408) 14.934 13.473 ( 7.802 1.313 -0.053) 7.912 13.526 ( -0.369 -1.901 -2.077) 2.840 14.796 ( -4.695 3.131 -19.602) 20.398 18.436 ( 12.054 1.508 -8.358) 14.746 18.880 ( -17.438 10.503 -15.639) 25.671 19.361 ( -16.716 -9.142 -2.881) 19.269 19.840 ( 5.004 -0.425 -2.671) 5.688 21.404 ( 22.274 2.952 10.247) 24.696 22.376 ( -18.578 2.962 -6.682) 19.964 23.345 ( -6.186 -5.364 2.269) 8.496 23.847 ( 7.441 -0.268 -2.750) 7.938 ======================= Grid point 377 (171/432) ======================= q-point: ( 0.18 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 2.506 2.672 22.940) 23.231 2.562 ( 10.220 -8.222 16.556) 21.123 3.189 ( 2.841 4.565 -6.588) 8.503 3.554 ( -1.759 -4.393 -1.150) 4.870 3.596 ( -0.857 6.928 -9.715) 11.963 4.014 ( 5.100 -0.511 -5.971) 7.869 4.300 ( 2.564 0.477 -0.770) 2.719 4.619 ( 1.014 -12.419 -3.645) 12.982 5.488 ( -5.971 3.383 9.656) 11.846 5.649 ( -10.366 -3.223 13.408) 17.251 6.179 ( -9.066 -0.089 4.833) 10.274 6.423 ( -10.186 -0.324 -5.987) 11.820 6.782 ( -3.601 2.325 14.224) 14.855 6.887 ( 2.153 3.625 7.670) 8.753 7.115 ( -4.574 4.970 20.696) 21.770 8.117 ( -13.157 12.765 19.268) 26.595 8.949 ( -9.904 -6.434 4.516) 12.644 9.407 ( -5.651 -1.299 1.627) 6.023 9.619 ( 3.780 4.147 2.611) 6.189 9.906 ( 11.436 -9.066 7.886) 16.588 10.604 ( 1.957 8.255 -4.526) 9.615 11.411 ( 8.868 -11.841 2.928) 15.080 11.691 ( 6.192 0.367 -13.039) 14.439 12.103 ( 4.166 6.046 -7.149) 10.248 12.954 ( -2.263 -12.722 7.845) 15.117 13.413 ( -4.861 4.024 -0.849) 6.367 13.647 ( 9.745 -4.224 -1.727) 10.761 14.500 ( -4.634 4.837 -14.014) 15.533 18.399 ( -8.851 7.985 -13.149) 17.748 18.516 ( 6.959 1.476 -7.992) 10.699 19.216 ( -13.042 -9.369 -1.749) 16.153 19.786 ( -8.626 -0.316 -1.155) 8.709 21.661 ( 7.659 14.980 6.929) 18.195 22.233 ( 5.830 -10.449 -4.844) 12.909 23.338 ( -2.837 -4.322 0.077) 5.170 23.909 ( 6.139 0.646 -1.714) 6.407 ======================= Grid point 378 (172/432) ======================= q-point: ( 0.27 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -0.985 6.298 14.725) 16.045 2.929 ( 7.668 -5.198 12.650) 15.680 3.127 ( 4.659 2.042 -3.949) 6.440 3.389 ( -0.898 6.958 -9.030) 11.435 3.533 ( -4.536 -6.093 -5.203) 9.207 3.950 ( 4.628 3.508 -10.292) 11.817 4.395 ( 7.393 -8.854 -3.669) 12.104 4.746 ( 2.337 -12.952 2.396) 13.377 5.434 ( -13.268 3.348 7.489) 15.599 5.669 ( -11.497 -2.526 8.965) 14.796 6.099 ( -10.061 -0.359 2.572) 10.390 6.221 ( -11.566 -0.129 -4.607) 12.451 6.807 ( -1.098 1.877 2.886) 3.613 6.961 ( 0.203 5.511 7.119) 9.005 7.361 ( -5.169 5.687 36.722) 37.517 8.009 ( -4.788 13.011 3.554) 14.312 8.921 ( -18.342 -13.299 7.675) 23.920 9.373 ( -4.680 -0.603 2.668) 5.421 9.575 ( 1.225 12.209 0.696) 12.290 10.260 ( 9.690 -4.547 5.865) 12.206 10.574 ( 3.451 -7.784 0.432) 8.526 11.296 ( -3.504 15.141 -11.615) 19.402 11.896 ( 17.465 -8.218 3.077) 19.545 12.119 ( 11.542 0.093 -4.287) 12.313 13.092 ( -3.175 -12.049 3.574) 12.963 13.292 ( -7.084 7.448 2.052) 10.482 13.735 ( 3.236 -4.931 -7.266) 9.359 14.332 ( 2.908 1.745 -5.115) 6.137 18.075 ( -9.529 2.488 -12.029) 15.546 18.544 ( 7.744 0.526 -5.698) 9.629 19.158 ( -4.139 -7.019 -0.163) 8.150 19.641 ( -14.086 -2.626 1.133) 14.373 21.554 ( 1.603 16.807 -6.577) 18.119 22.503 ( 12.341 -13.906 5.652) 19.432 23.354 ( 2.239 -2.556 -1.459) 3.698 23.954 ( 4.295 2.312 0.041) 4.878 ======================= Grid point 379 (173/432) ======================= q-point: (-0.64 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -10.572 10.256 6.925) 16.276 3.006 ( -3.868 3.828 1.120) 5.556 3.195 ( 0.976 2.361 -1.398) 2.912 3.344 ( 8.113 -2.498 -1.595) 8.638 3.475 ( -3.414 -8.739 -2.163) 9.629 3.881 ( 6.863 3.798 -8.649) 11.676 4.529 ( 9.065 -10.860 -6.188) 15.440 4.907 ( 0.873 -10.257 2.086) 10.504 5.272 ( -17.871 -0.989 3.569) 18.251 5.591 ( -12.821 -0.991 3.464) 13.318 5.981 ( -11.952 -0.648 0.982) 12.010 6.042 ( -10.780 0.831 0.199) 10.814 6.801 ( -2.342 1.600 1.494) 3.206 6.973 ( -1.928 8.876 8.241) 12.265 7.665 ( -7.018 3.119 34.864) 35.700 7.905 ( 5.264 6.366 -7.255) 10.994 8.866 ( -21.517 -11.463 9.722) 26.247 9.353 ( -4.923 1.278 4.702) 6.927 9.498 ( 1.532 10.062 0.094) 10.179 10.243 ( -9.844 -5.900 -8.020) 14.001 10.859 ( 13.276 -5.284 6.950) 15.889 11.020 ( 2.911 18.877 -4.781) 19.689 12.114 ( 12.931 -0.073 -6.113) 14.303 12.354 ( 16.069 -5.131 8.099) 18.712 13.110 ( -6.051 3.907 1.341) 7.326 13.214 ( -3.722 -3.163 3.933) 6.271 13.636 ( -5.470 -1.377 -8.998) 10.620 14.439 ( 12.195 -6.964 -0.347) 14.048 17.803 ( -8.907 -1.063 -15.106) 17.569 18.608 ( 6.734 -0.518 2.605) 7.239 19.215 ( 2.615 -6.692 0.437) 7.198 19.518 ( -11.385 -4.651 2.004) 12.461 21.336 ( 3.410 14.965 -12.908) 20.055 22.816 ( 3.172 -14.579 8.163) 17.007 23.412 ( 9.189 0.504 -2.480) 9.531 23.991 ( 2.691 3.440 3.597) 5.658 ======================= Grid point 380 (174/432) ======================= q-point: (-0.55 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -17.389 10.863 7.298) 21.763 2.823 ( -14.154 8.318 -2.980) 16.686 3.196 ( 2.222 -2.760 0.451) 3.572 3.391 ( 0.055 -2.284 -1.633) 2.808 3.526 ( 2.277 -5.113 -4.579) 7.232 3.887 ( 4.861 0.879 -0.683) 4.987 4.650 ( 6.960 -8.741 -6.627) 12.991 4.852 ( -12.889 2.094 -3.584) 13.541 5.211 ( -7.182 -14.402 3.779) 16.532 5.484 ( -7.993 -2.563 1.818) 8.588 5.835 ( -12.387 -0.100 0.841) 12.416 5.928 ( -9.346 0.732 3.581) 10.036 6.740 ( -5.413 2.731 0.260) 6.068 6.971 ( -2.266 7.267 8.020) 11.057 7.858 ( 9.433 0.974 -9.136) 13.168 7.911 ( -9.693 0.396 24.629) 26.470 8.776 ( -19.279 -3.717 9.486) 21.806 9.330 ( -7.032 -1.073 5.795) 9.175 9.463 ( 3.534 6.839 -0.086) 7.698 10.032 ( -12.724 -5.754 -8.149) 16.168 10.815 ( 5.623 19.473 -3.154) 20.513 11.202 ( 10.938 -3.568 7.328) 13.641 12.165 ( 9.772 1.565 -8.821) 13.257 12.661 ( 6.880 1.016 11.304) 13.272 13.005 ( -1.179 7.519 -0.080) 7.612 13.284 ( 0.868 -6.956 3.652) 7.904 13.483 ( -5.824 -0.077 -2.964) 6.536 14.690 ( 14.869 -11.767 -1.716) 19.039 17.504 ( -9.238 -0.602 -16.768) 19.154 18.802 ( 9.575 -2.659 9.452) 13.714 19.282 ( -5.360 -6.402 1.825) 8.547 19.512 ( 4.055 -5.201 0.008) 6.595 21.105 ( 4.649 13.171 -15.676) 20.995 22.986 ( -7.376 -15.107 4.706) 17.458 23.516 ( 12.977 4.148 -2.827) 13.914 24.080 ( 3.105 1.713 10.483) 11.066 ======================= Grid point 381 (175/432) ======================= q-point: (-0.45 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -21.309 10.077 11.762) 26.343 2.467 ( -20.662 10.267 -5.261) 23.664 3.224 ( -4.763 6.141 -1.040) 7.841 3.400 ( 1.643 -5.896 4.679) 7.704 3.533 ( -0.365 -5.886 -2.470) 6.394 3.905 ( -5.373 -1.606 1.617) 5.836 4.623 ( -8.891 -0.049 -3.717) 9.637 4.696 ( 0.001 -5.370 -4.691) 7.130 5.307 ( -0.322 -12.037 1.843) 12.182 5.497 ( -0.672 -7.979 0.165) 8.009 5.689 ( -11.758 -1.020 0.979) 11.843 5.871 ( -7.015 0.958 6.177) 9.396 6.635 ( -6.215 1.867 -1.557) 6.674 6.970 ( -4.372 4.726 7.698) 10.035 7.870 ( 10.825 -1.869 -11.062) 15.590 7.995 ( -14.527 -1.441 15.016) 20.943 8.646 ( -14.404 5.218 7.394) 17.011 9.352 ( -6.747 -8.256 7.580) 13.082 9.455 ( 4.033 6.198 -0.728) 7.430 9.879 ( -4.828 1.555 -1.144) 5.200 10.713 ( 0.938 6.760 -3.091) 7.492 11.395 ( 7.315 2.655 4.731) 9.107 12.144 ( 6.929 3.196 -9.940) 12.532 12.723 ( -11.063 7.921 13.913) 19.460 12.951 ( 3.388 0.072 -8.357) 9.018 13.386 ( 0.845 -5.413 0.686) 5.522 13.517 ( 7.466 2.249 8.779) 11.742 14.960 ( 15.698 -13.654 -4.831) 21.359 17.219 ( -7.795 0.788 -11.467) 13.888 19.053 ( 5.709 -3.746 5.498) 8.767 19.267 ( -2.032 -0.940 5.155) 5.620 19.671 ( 11.557 -6.482 -1.004) 13.288 20.883 ( 4.433 10.789 -15.517) 19.412 23.017 ( -11.627 -15.822 1.283) 19.676 23.581 ( 9.822 6.732 -3.500) 12.411 24.290 ( 4.208 -2.131 16.083) 16.760 ======================= Grid point 382 (176/432) ======================= q-point: (-0.36 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -22.611 10.742 14.746) 29.053 2.004 ( -26.917 10.082 -6.370) 29.441 3.017 ( -15.744 15.312 10.504) 24.345 3.540 ( -2.763 -5.044 0.732) 5.798 3.604 ( 3.342 -10.620 6.085) 12.688 3.827 ( -9.558 -2.832 0.422) 9.978 4.507 ( -6.686 -4.854 -4.283) 9.306 4.727 ( 3.880 -2.418 2.735) 5.327 5.423 ( -0.627 -11.744 -4.534) 12.605 5.535 ( 1.129 -5.763 -2.246) 6.287 5.598 ( -7.599 -4.054 3.627) 9.346 5.881 ( -2.860 2.153 9.092) 9.771 6.526 ( -4.697 -0.744 -3.217) 5.741 6.952 ( -8.006 0.981 7.229) 10.831 7.890 ( -4.686 -3.398 -2.565) 6.331 7.956 ( -1.993 -2.339 2.655) 4.061 8.500 ( -7.605 10.471 3.669) 13.451 9.434 ( 0.823 -4.573 -2.691) 5.369 9.472 ( -1.135 -1.035 9.704) 9.825 9.824 ( 2.544 11.880 2.060) 12.323 10.656 ( -6.571 -10.076 -3.184) 12.443 11.458 ( 4.168 9.283 2.299) 10.432 12.079 ( 4.524 2.378 -8.969) 10.322 12.631 ( -13.483 5.289 8.553) 16.820 12.908 ( -0.312 -1.788 -2.640) 3.204 13.450 ( 3.599 -4.526 -3.174) 6.596 13.674 ( 8.720 9.015 4.367) 13.281 15.204 ( 15.067 -13.826 -7.955) 21.943 17.094 ( -1.780 -0.216 4.912) 5.229 19.028 ( -3.298 2.320 -6.360) 7.530 19.450 ( 9.453 0.235 9.577) 13.458 19.867 ( 12.247 -5.289 -0.861) 13.368 20.689 ( 3.022 7.431 -13.266) 15.503 23.010 ( -13.181 -18.975 1.242) 23.137 23.597 ( 8.065 6.979 -3.161) 11.124 24.542 ( 1.768 -4.406 13.733) 14.530 ======================= Grid point 383 (177/432) ======================= q-point: (-0.27 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -28.719 10.684 -0.134) 30.642 1.630 ( -20.180 13.985 15.630) 29.105 2.882 ( -21.586 12.083 28.776) 37.948 3.523 ( -5.505 -4.932 -0.873) 7.442 3.733 ( -6.628 -3.448 -1.607) 7.643 3.796 ( 2.576 -5.937 6.160) 8.935 4.413 ( -5.579 -6.613 -5.981) 10.518 4.913 ( 6.856 -3.064 11.171) 13.460 5.288 ( -8.135 -4.322 -14.160) 16.892 5.595 ( 0.654 -5.828 1.746) 6.119 5.695 ( 3.846 -3.597 6.017) 7.996 5.947 ( -1.821 1.277 9.635) 9.888 6.485 ( 0.801 -4.504 -2.128) 5.045 6.913 ( -11.463 -5.601 4.850) 13.649 7.786 ( -13.741 -3.356 4.261) 14.773 8.032 ( 1.477 -3.073 0.826) 3.508 8.360 ( 1.385 14.147 -1.215) 14.266 9.453 ( 3.032 -2.335 -0.973) 3.949 9.552 ( -0.182 3.143 1.745) 3.600 9.803 ( 4.412 11.063 6.146) 13.403 10.598 ( -16.966 -20.263 -5.057) 26.908 11.411 ( 3.461 15.349 -0.736) 15.752 12.048 ( 3.678 -3.033 -4.796) 6.762 12.500 ( -12.015 2.169 3.516) 12.705 12.900 ( -1.708 0.080 0.339) 1.743 13.418 ( 2.159 5.005 -11.009) 12.284 13.687 ( 3.927 8.226 -0.514) 9.129 15.382 ( 12.308 -11.944 -11.703) 20.763 17.374 ( 13.000 -8.777 25.579) 30.005 18.871 ( 2.394 9.824 -9.360) 13.779 19.633 ( 3.777 -3.649 3.850) 6.512 20.051 ( 12.174 1.337 1.713) 12.366 20.530 ( 2.601 3.591 -12.550) 13.310 23.037 ( -14.109 -23.711 3.583) 27.823 23.612 ( 8.267 5.924 -3.001) 10.604 24.657 ( -5.989 -3.120 1.805) 6.991 ======================= Grid point 384 (178/432) ======================= q-point: (-0.18 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -10.234 10.353 20.166) 24.872 1.473 ( -15.917 13.486 19.349) 28.453 2.881 ( -27.305 5.847 36.966) 46.327 3.468 ( -5.383 -3.286 -2.115) 6.652 3.685 ( -0.172 -1.262 -0.434) 1.346 3.916 ( 2.836 -3.342 1.249) 4.558 4.356 ( -3.036 -6.741 -3.056) 8.000 4.989 ( -2.484 1.538 -12.350) 12.691 5.228 ( 0.187 -3.359 16.224) 16.569 5.625 ( -0.816 -3.097 -5.613) 6.462 5.855 ( 7.117 0.794 7.690) 10.507 6.067 ( 0.239 -2.861 13.687) 13.985 6.571 ( 6.126 -5.290 0.509) 8.110 6.875 ( -12.289 -15.076 1.276) 19.492 7.681 ( -12.000 -3.322 -2.504) 12.701 7.921 ( -13.926 12.695 5.552) 19.646 8.397 ( 10.102 3.163 6.512) 12.429 9.442 ( -0.902 10.388 -4.935) 11.536 9.559 ( 5.111 -6.735 2.049) 8.699 9.891 ( 6.483 8.818 8.161) 13.653 10.403 ( -27.406 -19.597 -6.298) 34.275 11.287 ( 3.897 18.156 -3.855) 18.965 12.110 ( 4.525 -6.739 -3.619) 8.888 12.380 ( -10.489 -0.910 3.463) 11.083 12.816 ( -3.090 9.316 -3.682) 10.483 13.255 ( 0.650 7.425 -4.476) 8.694 13.669 ( 1.891 2.143 -2.124) 3.561 15.433 ( 7.850 -8.171 -17.225) 20.618 18.057 ( 20.850 -21.464 20.568) 36.311 18.776 ( 17.090 17.013 -3.300) 24.340 19.692 ( -4.922 -11.024 -3.084) 12.460 20.136 ( 0.395 12.848 3.521) 13.328 20.458 ( 14.397 -1.481 -12.063) 18.841 23.116 ( -15.384 -27.667 5.279) 32.094 23.643 ( 8.846 4.682 -3.381) 10.564 24.403 ( -22.640 6.382 -12.656) 26.711 ======================= Grid point 385 (179/432) ======================= q-point: (-0.09 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -7.109 6.262 25.416) 27.124 1.485 ( 5.262 4.607 27.809) 28.675 2.927 ( -22.653 3.166 36.759) 43.294 3.393 ( -3.812 -1.457 -3.622) 5.457 3.747 ( 5.427 -1.195 1.809) 5.844 3.953 ( 2.442 -0.889 -3.839) 4.636 4.378 ( -0.164 -4.848 1.276) 5.016 4.826 ( 3.640 2.715 -12.898) 13.674 5.423 ( -6.083 -0.807 18.777) 19.754 5.529 ( -3.065 -0.548 -7.061) 7.717 6.017 ( 1.703 0.983 11.587) 11.753 6.290 ( 3.071 -3.016 13.458) 14.130 6.698 ( 6.306 -1.684 1.241) 6.644 6.886 ( -7.923 -18.861 -2.639) 20.628 7.372 ( -13.680 9.249 -10.918) 19.797 7.828 ( -18.074 4.330 26.375) 32.266 8.620 ( 7.769 -0.935 11.566) 13.965 9.277 ( -1.535 7.660 -5.850) 9.760 9.712 ( 0.341 -9.045 1.319) 9.147 9.921 ( -1.701 11.789 2.430) 12.156 10.239 ( -7.082 -13.867 3.730) 16.011 11.139 ( 3.181 13.999 -6.087) 15.593 12.077 ( -1.231 -0.315 -11.493) 11.563 12.400 ( -4.437 -10.843 7.748) 14.046 12.645 ( -2.476 13.896 -0.160) 14.116 13.240 ( 4.314 1.826 1.263) 4.852 13.640 ( 0.330 0.550 -3.671) 3.727 15.328 ( 2.849 -3.903 -21.350) 21.890 18.391 ( 5.350 -7.717 -7.485) 12.009 19.146 ( 36.646 3.999 10.213) 38.252 19.625 ( -11.521 -17.124 -9.498) 22.720 19.920 ( -10.126 16.482 -4.855) 19.944 20.657 ( 23.783 -0.249 -1.376) 23.824 23.184 ( -21.405 -30.745 1.619) 37.497 23.634 ( -6.244 15.295 -4.997) 17.259 23.800 ( -16.588 10.184 -7.911) 21.011 ======================= Grid point 387 (180/432) ======================= q-point: ( 0.09 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 4.844 0.000 28.077) 28.491 2.463 ( 7.345 0.000 14.899) 16.611 3.233 ( 4.149 0.000 -7.395) 8.480 3.506 ( -2.083 -0.000 0.356) 2.114 3.671 ( -1.415 -0.000 -11.376) 11.463 3.996 ( 8.140 0.000 -5.260) 9.691 4.345 ( -0.853 -0.000 -6.020) 6.080 4.474 ( 0.874 0.000 -1.412) 1.661 5.532 ( -3.270 -0.000 9.798) 10.329 5.608 ( -12.838 -0.000 13.878) 18.905 6.178 ( -9.215 -0.000 4.708) 10.348 6.419 ( -10.264 -0.000 -6.425) 12.109 6.803 ( -4.665 -0.000 15.691) 16.369 6.920 ( 3.207 0.000 3.259) 4.573 7.153 ( -5.043 -0.000 21.963) 22.535 8.250 ( -16.472 -0.000 28.897) 33.262 8.866 ( -15.386 -0.000 -3.055) 15.686 9.385 ( -1.322 -0.000 -1.339) 1.882 9.688 ( 17.437 0.000 17.098) 24.422 9.808 ( 1.951 0.000 -2.068) 2.843 10.705 ( -6.074 -0.000 -11.208) 12.748 11.277 ( 22.074 0.000 11.927) 25.090 11.703 ( 6.014 0.000 -15.273) 16.414 12.177 ( 2.230 0.000 -8.769) 9.049 12.822 ( -3.431 -0.000 9.540) 10.139 13.449 ( -4.562 -0.000 -0.409) 4.580 13.610 ( 10.445 0.000 -2.578) 10.758 14.541 ( -5.771 -0.000 -14.172) 15.302 18.500 ( 11.778 0.000 -8.954) 14.795 18.507 ( -14.951 -0.000 -18.392) 23.702 19.121 ( -14.113 -0.000 3.861) 14.631 19.783 ( -8.817 -0.000 -1.591) 8.960 21.839 ( 19.702 0.000 13.511) 23.890 22.099 ( -7.353 -0.000 -12.317) 14.345 23.299 ( -1.687 -0.000 1.156) 2.045 23.914 ( 6.947 0.000 -1.837) 7.186 ======================= Grid point 388 (181/432) ======================= q-point: ( 0.18 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 3.032 8.524 16.341) 18.678 2.805 ( 7.641 -8.796 19.406) 22.635 3.171 ( 1.964 2.254 -8.448) 8.962 3.433 ( -3.679 -2.707 -6.927) 8.297 3.503 ( -2.668 3.248 -9.463) 10.354 3.989 ( 8.483 1.127 -13.258) 15.780 4.296 ( 3.979 -2.549 -5.183) 7.014 4.558 ( 1.389 -7.561 4.395) 8.855 5.513 ( -12.299 5.374 8.137) 15.696 5.607 ( -12.401 -4.607 9.469) 16.269 6.093 ( -9.552 -0.227 1.710) 9.707 6.220 ( -11.150 -0.018 -3.921) 11.819 6.839 ( -1.913 1.488 3.262) 4.064 7.008 ( 4.060 0.822 3.822) 5.636 7.425 ( -7.692 1.861 36.500) 37.348 8.257 ( -14.117 14.874 14.893) 25.344 8.644 ( -19.371 -16.391 -1.497) 25.419 9.382 ( -1.025 0.747 3.272) 3.509 9.759 ( 0.363 7.652 -2.110) 7.946 10.182 ( 19.199 -4.030 16.627) 25.716 10.481 ( -7.702 -2.841 -10.327) 13.192 11.545 ( 8.373 12.589 -9.506) 17.859 11.755 ( 19.628 -8.263 7.429) 22.555 12.154 ( 9.011 2.667 -5.981) 11.139 12.899 ( -3.474 -8.332 5.371) 10.504 13.378 ( -6.698 2.713 2.454) 7.631 13.671 ( 5.789 -2.181 -8.161) 10.241 14.355 ( -1.722 0.805 -7.108) 7.358 18.117 ( -11.258 1.813 -17.164) 20.606 18.538 ( 6.599 -0.705 -5.327) 8.510 19.068 ( -4.210 -2.977 4.284) 6.704 19.614 ( -14.393 -0.731 -0.289) 14.414 21.825 ( 1.015 13.210 -12.562) 18.257 22.275 ( 11.454 -11.584 11.088) 19.706 23.320 ( 3.285 -1.147 0.146) 3.482 23.980 ( 5.613 0.776 -0.477) 5.686 ======================= Grid point 389 (182/432) ======================= q-point: (-0.73 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -6.330 11.427 6.561) 14.618 3.059 ( -1.366 2.398 -1.754) 3.270 3.188 ( 6.879 -6.965 9.249) 13.468 3.300 ( -4.018 -0.937 -7.850) 8.869 3.379 ( -2.684 -1.102 -2.977) 4.157 3.935 ( 9.832 2.833 -12.670) 16.286 4.364 ( 8.399 -7.829 -5.695) 12.817 4.696 ( -0.455 -12.352 3.466) 12.837 5.331 ( -17.816 6.174 3.064) 19.103 5.548 ( -13.688 -4.057 3.826) 14.780 5.976 ( -10.895 -0.028 0.891) 10.931 6.052 ( -10.552 0.262 -0.042) 10.555 6.836 ( -1.179 2.621 2.019) 3.512 7.072 ( 0.753 2.753 3.605) 4.598 7.708 ( -11.766 1.806 36.290) 38.192 8.053 ( -4.613 11.114 -4.426) 12.821 8.601 ( -19.505 -17.203 9.760) 27.778 9.402 ( -2.336 2.796 5.808) 6.856 9.647 ( -2.165 6.474 -3.355) 7.606 10.177 ( -11.311 -1.485 -11.915) 16.496 10.730 ( 18.270 -6.732 14.452) 24.248 11.410 ( 10.075 21.846 -7.279) 25.134 12.119 ( 14.680 0.953 -0.474) 14.719 12.275 ( 16.102 -4.236 6.533) 17.886 12.993 ( -1.438 -10.893 2.648) 11.303 13.282 ( -8.909 5.276 4.231) 11.186 13.594 ( -3.029 -2.827 -10.926) 11.685 14.347 ( 7.454 -3.804 -3.511) 9.075 17.791 ( -9.107 -0.404 -16.334) 18.705 18.592 ( 4.083 -1.098 3.086) 5.234 19.131 ( 3.878 -3.188 1.262) 5.177 19.457 ( -10.990 -2.540 0.926) 11.318 21.575 ( 2.586 12.431 -16.085) 20.492 22.591 ( 2.113 -11.453 10.457) 15.652 23.414 ( 9.425 -0.130 1.008) 9.480 24.036 ( 3.855 1.825 1.668) 4.579 ======================= Grid point 390 (183/432) ======================= q-point: (-0.64 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -12.863 12.589 3.154) 18.273 2.912 ( -10.999 2.253 -6.539) 12.993 3.172 ( -1.941 -0.377 -2.536) 3.216 3.342 ( -0.197 -5.405 -1.083) 5.516 3.446 ( 2.886 -2.039 6.342) 7.259 3.912 ( 8.474 2.048 -8.854) 12.425 4.483 ( 7.252 -9.752 -5.401) 13.299 4.810 ( -4.509 -11.407 0.748) 12.289 5.058 ( -17.739 1.115 0.642) 17.786 5.437 ( -10.556 -3.398 0.517) 11.102 5.837 ( -11.882 0.386 1.029) 11.932 5.942 ( -8.992 0.705 3.689) 9.744 6.788 ( -4.759 3.782 0.376) 6.091 7.070 ( -3.215 3.135 3.980) 6.001 7.891 ( -3.624 2.443 6.533) 7.860 7.922 ( -8.029 1.354 13.592) 15.844 8.611 ( -16.233 -12.093 10.578) 22.840 9.391 ( -5.203 5.066 5.931) 9.376 9.556 ( -0.357 3.231 -1.525) 3.590 9.902 ( -13.015 -6.335 -11.540) 18.512 11.118 ( 14.117 2.531 7.619) 16.240 11.289 ( 11.065 24.137 -0.078) 26.553 12.194 ( 10.619 2.239 -7.480) 13.181 12.648 ( 13.472 -2.874 10.577) 17.368 13.109 ( 2.671 -1.059 2.035) 3.521 13.169 ( -8.164 -1.155 4.826) 9.554 13.445 ( -6.022 -3.880 -6.322) 9.555 14.497 ( 12.843 -10.432 -5.049) 17.299 17.496 ( -8.755 -0.372 -15.346) 17.672 18.754 ( 6.332 -2.711 10.361) 12.441 19.213 ( 2.345 -2.104 0.352) 3.170 19.429 ( 2.122 -4.524 0.290) 5.006 21.316 ( 2.611 11.464 -17.385) 20.988 22.749 ( -7.225 -12.626 5.427) 15.527 23.575 ( 12.289 2.784 2.663) 12.878 24.103 ( 2.720 1.094 5.919) 6.605 ======================= Grid point 391 (184/432) ======================= q-point: (-0.55 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -16.282 12.422 7.259) 21.728 2.598 ( -18.080 5.635 -8.528) 20.769 3.202 ( 1.546 -6.172 2.376) 6.792 3.365 ( -2.417 -4.953 0.261) 5.518 3.491 ( -0.004 4.654 1.343) 4.844 3.885 ( -2.132 -0.835 -3.923) 4.542 4.566 ( 0.871 -7.879 -4.050) 8.901 4.651 ( -14.056 1.504 -2.069) 14.287 5.059 ( -0.917 -16.265 1.095) 16.328 5.380 ( -3.745 -5.652 -0.321) 6.787 5.684 ( -12.673 0.243 1.044) 12.718 5.895 ( -6.297 1.560 7.168) 9.667 6.666 ( -8.335 2.735 -1.313) 8.870 7.036 ( -6.558 1.782 4.543) 8.174 7.849 ( 7.124 -0.600 -10.563) 12.755 7.974 ( -18.206 -0.730 18.756) 26.149 8.625 ( -11.237 -5.956 9.530) 15.892 9.328 ( -6.241 4.216 4.443) 8.744 9.540 ( 1.716 3.029 0.271) 3.491 9.739 ( -9.966 -13.266 -3.368) 16.931 11.052 ( 6.247 28.364 -4.189) 29.345 11.454 ( 11.631 4.634 8.542) 15.156 12.200 ( 8.192 3.379 -8.797) 12.486 12.829 ( -2.488 2.699 8.817) 9.550 12.977 ( -5.084 3.745 -6.646) 9.168 13.273 ( -2.175 -7.450 1.251) 7.861 13.506 ( 10.769 -3.280 9.153) 14.508 14.713 ( 14.772 -15.113 -7.932) 22.572 17.232 ( -7.507 0.745 -10.572) 12.987 18.991 ( 5.165 -3.378 8.591) 10.578 19.267 ( 5.348 0.832 3.703) 6.558 19.571 ( 12.094 -5.519 -1.061) 13.336 21.055 ( 1.468 9.558 -17.006) 19.563 22.760 ( -12.756 -14.122 0.877) 19.051 23.700 ( 9.391 7.067 0.779) 11.779 24.249 ( 2.672 -2.743 12.090) 12.682 ======================= Grid point 392 (185/432) ======================= q-point: (-0.45 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -18.081 12.648 12.538) 25.379 2.171 ( -22.851 9.733 -7.207) 25.862 3.254 ( -3.708 8.289 3.190) 9.625 3.402 ( -1.317 -10.692 0.211) 10.775 3.481 ( -2.896 -0.731 8.986) 9.470 3.782 ( -9.247 -2.438 -1.213) 9.639 4.426 ( -10.400 -4.635 -5.391) 12.598 4.668 ( 3.712 -4.238 3.287) 6.522 5.180 ( -1.709 -16.749 -4.774) 17.500 5.422 ( 1.994 -6.669 0.828) 7.010 5.557 ( -10.780 -1.643 4.063) 11.637 5.917 ( -2.880 2.067 9.292) 9.945 6.511 ( -10.077 -0.189 -2.105) 10.297 6.968 ( -10.834 -0.373 4.201) 11.626 7.822 ( -2.335 -3.763 -5.702) 7.219 7.928 ( -7.206 -0.935 5.437) 9.075 8.624 ( -6.243 3.474 7.873) 10.631 9.301 ( -4.543 -4.088 3.031) 6.822 9.547 ( 1.948 4.503 3.447) 5.996 9.769 ( -6.768 -17.203 2.465) 18.650 10.815 ( 1.616 27.166 -4.804) 27.635 11.610 ( 8.224 8.556 5.798) 13.208 12.148 ( 5.615 5.137 -9.356) 12.060 12.744 ( -14.383 7.019 6.051) 17.110 12.882 ( 0.379 -1.130 -2.603) 2.862 13.325 ( 1.087 -9.504 -2.783) 9.962 13.780 ( 12.441 3.294 6.672) 14.496 14.938 ( 14.699 -17.359 -10.223) 24.938 17.091 ( -3.285 -0.175 1.039) 3.450 19.067 ( 2.944 2.127 -2.766) 4.565 19.454 ( 9.287 0.176 7.514) 11.948 19.791 ( 17.263 -3.678 -0.105) 17.651 20.809 ( -0.718 6.725 -14.585) 16.077 22.701 ( -15.989 -17.060 -0.299) 23.383 23.732 ( 6.921 8.861 -0.945) 11.284 24.459 ( 0.072 -5.527 13.015) 14.140 ======================= Grid point 393 (186/432) ======================= q-point: (-0.36 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -22.320 14.785 1.056) 26.793 1.867 ( -17.200 14.101 15.512) 27.116 3.126 ( -13.598 15.492 15.577) 25.838 3.420 ( -5.790 -7.408 -0.147) 9.404 3.620 ( -2.058 -8.698 3.614) 9.641 3.722 ( -2.650 -3.140 4.956) 6.438 4.296 ( -5.641 -6.959 -7.903) 11.946 4.847 ( 5.823 -4.592 9.841) 12.323 5.158 ( -5.949 -11.439 -9.069) 15.764 5.499 ( -1.527 -5.060 2.238) 5.740 5.605 ( 1.537 -6.600 8.781) 11.092 5.980 ( -1.658 2.278 8.792) 9.232 6.390 ( -8.868 -5.473 0.080) 10.422 6.857 ( -13.370 -2.624 1.859) 13.751 7.714 ( -12.227 -4.134 0.589) 12.921 7.969 ( 4.045 -3.834 -0.671) 5.614 8.585 ( -1.963 11.699 5.620) 13.127 9.322 ( -3.000 -9.759 -0.882) 10.247 9.611 ( 2.886 4.324 7.290) 8.953 9.848 ( -7.499 -16.228 1.237) 17.919 10.545 ( -3.386 21.885 -3.426) 22.409 11.666 ( 7.098 14.150 3.361) 16.183 12.062 ( 3.459 4.130 -7.788) 9.470 12.572 ( -11.955 5.281 3.454) 13.518 12.889 ( -1.101 -0.716 2.519) 2.841 13.367 ( 2.358 -7.969 -8.024) 11.553 13.870 ( 6.580 10.177 -2.606) 12.396 15.134 ( 12.221 -17.206 -12.151) 24.353 17.233 ( 5.721 -7.468 16.947) 19.383 19.028 ( 8.752 8.079 -8.147) 14.431 19.579 ( 1.921 -2.155 -0.454) 2.922 20.078 ( 21.678 1.779 3.416) 22.018 20.592 ( -3.376 3.528 -11.230) 12.245 22.647 ( -17.852 -21.494 1.923) 28.007 23.730 ( 6.502 8.051 -1.712) 10.489 24.587 ( -6.568 -5.134 6.407) 10.514 ======================= Grid point 394 (187/432) ======================= q-point: (-0.27 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -8.010 16.788 17.201) 25.336 1.725 ( -14.662 15.472 17.742) 27.734 3.034 ( -20.110 11.933 26.570) 35.395 3.391 ( -5.711 -5.727 -1.064) 8.158 3.644 ( 1.655 -3.838 -1.980) 4.625 3.847 ( 0.092 -4.445 7.531) 8.746 4.222 ( -1.742 -8.357 -6.792) 10.909 4.994 ( -0.673 -1.634 -7.403) 7.611 5.144 ( -0.660 -6.678 14.266) 15.765 5.557 ( -0.611 -4.743 -0.602) 4.820 5.822 ( 6.938 -6.108 10.203) 13.768 6.039 ( -2.269 0.539 9.656) 9.933 6.396 ( -8.430 -12.932 6.084) 16.592 6.728 ( -10.492 -4.220 -0.730) 11.332 7.610 ( -11.469 -4.411 0.818) 12.315 8.014 ( -2.646 -1.122 -0.351) 2.896 8.535 ( 1.908 12.279 6.592) 14.067 9.393 ( 0.561 -11.838 1.106) 11.903 9.639 ( 1.710 10.857 0.154) 10.992 9.873 ( -11.514 -19.464 0.142) 22.615 10.312 ( -3.427 18.847 1.488) 19.213 11.624 ( 6.617 20.948 -1.084) 21.995 12.029 ( 3.538 -2.106 -3.552) 5.438 12.422 ( -10.541 4.401 2.371) 11.666 12.900 ( -1.223 2.189 1.703) 3.031 13.322 ( 2.068 -1.613 -10.387) 10.713 13.778 ( 1.176 10.550 -3.626) 11.218 15.238 ( 7.820 -14.764 -16.397) 23.409 17.713 ( 12.988 -18.811 20.573) 30.754 19.016 ( 18.922 10.698 -8.663) 23.400 19.543 ( -5.483 -5.606 -6.583) 10.239 20.343 ( 4.630 11.505 7.092) 14.286 20.425 ( 11.540 -2.316 -11.632) 16.548 22.648 ( -19.121 -25.971 5.134) 32.657 23.732 ( 6.787 6.139 -2.428) 9.468 24.470 ( -17.177 1.339 -4.077) 17.705 ======================= Grid point 395 (188/432) ======================= q-point: (-0.18 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 6.323 10.396 24.493) 27.349 1.659 ( -10.666 13.834 21.854) 27.978 3.035 ( -16.089 9.555 31.582) 36.710 3.346 ( -3.976 -4.162 -3.085) 6.531 3.706 ( 5.109 -3.688 -1.306) 6.435 3.931 ( 0.313 -1.268 2.378) 2.713 4.247 ( 1.412 -9.806 -2.209) 10.151 4.886 ( 2.793 3.316 -9.402) 10.353 5.382 ( -3.264 -4.529 18.535) 19.358 5.517 ( -3.834 -0.545 -3.198) 5.023 6.046 ( 3.019 2.068 10.075) 10.719 6.196 ( 2.823 -8.092 12.010) 14.754 6.489 ( -15.411 -21.076 12.196) 28.817 6.686 ( 1.657 -3.662 -1.263) 4.213 7.456 ( -11.051 0.804 -7.182) 13.205 7.923 ( -13.229 4.126 10.801) 17.570 8.627 ( 4.800 3.103 11.102) 12.487 9.496 ( 0.507 16.827 -3.768) 17.252 9.538 ( 1.203 -11.743 1.517) 11.901 9.879 ( -14.354 -21.999 0.330) 26.270 10.207 ( 6.131 18.203 5.408) 19.954 11.477 ( 5.000 23.606 -4.261) 24.503 12.050 ( 2.579 -2.993 -8.869) 9.709 12.298 ( -9.093 -0.954 4.163) 10.046 12.846 ( -1.338 9.190 1.144) 9.358 13.279 ( 4.542 1.287 -2.789) 5.483 13.679 ( -0.861 4.984 -2.899) 5.830 15.202 ( 2.982 -11.018 -20.595) 23.547 18.176 ( 8.742 -16.313 4.570) 19.064 19.201 ( 24.294 -2.987 -5.407) 25.067 19.406 ( -6.616 -4.010 -6.941) 10.394 20.144 ( -9.733 8.862 -6.176) 14.540 20.675 ( 22.784 3.803 2.614) 23.247 22.680 ( -21.257 -27.488 5.347) 35.158 23.747 ( 6.816 4.298 -3.025) 8.608 24.049 ( -24.220 13.010 -7.796) 28.577 ======================= Grid point 396 (189/432) ======================= q-point: (-0.09 0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -5.360 7.854 26.661) 28.306 1.909 ( 8.305 4.989 20.674) 22.831 3.198 ( -3.978 7.458 30.234) 31.394 3.293 ( -1.150 -2.906 -4.985) 5.884 3.778 ( 3.289 -6.121 -3.890) 7.963 3.941 ( 0.660 2.183 -0.234) 2.292 4.336 ( 1.938 -8.968 -1.678) 9.327 4.775 ( 3.898 6.681 -11.814) 14.121 5.431 ( -2.300 -0.686 -1.655) 2.915 5.546 ( -7.296 1.042 17.527) 19.014 6.153 ( -4.942 0.501 14.301) 15.139 6.394 ( -6.240 -6.156 16.074) 18.309 6.646 ( -5.289 -16.751 5.808) 18.502 6.762 ( 3.908 -3.131 0.912) 5.090 7.187 ( -10.240 4.600 -5.797) 12.634 7.933 ( -14.911 -0.856 24.652) 28.823 8.806 ( 3.293 -2.201 10.203) 10.944 9.357 ( 3.497 16.001 1.315) 16.431 9.573 ( -6.929 -6.911 -2.162) 10.022 9.884 ( -5.150 -3.077 1.378) 6.155 10.334 ( 13.048 -5.912 5.182) 15.233 11.277 ( 3.691 23.932 -5.244) 24.776 11.920 ( 0.252 0.901 -13.539) 13.571 12.303 ( -5.350 -9.930 0.170) 11.281 12.778 ( -0.842 13.146 6.904) 14.872 13.348 ( 8.131 0.753 1.012) 8.229 13.597 ( -1.930 1.760 -3.426) 4.308 15.038 ( -1.427 -6.957 -21.942) 23.062 18.354 ( 9.093 -5.818 -5.685) 12.200 19.151 ( -16.974 -16.831 -13.232) 27.322 19.559 ( 13.480 1.333 -1.117) 13.591 19.851 ( -4.406 11.624 -7.444) 14.489 21.002 ( 22.386 0.311 6.806) 23.400 22.622 ( -24.550 -19.222 -0.093) 31.181 23.559 ( -15.703 16.304 -1.384) 22.679 23.795 ( 6.714 1.693 -3.282) 7.663 ======================= Grid point 399 (190/432) ======================= q-point: ( 0.18 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -4.607 -0.000 7.130) 8.489 3.049 ( -1.939 -0.000 -7.895) 8.130 3.103 ( 5.739 0.000 14.994) 16.055 3.297 ( -2.985 -0.000 -6.536) 7.185 3.384 ( -3.886 -0.000 -4.132) 5.672 3.964 ( 13.037 0.000 -15.935) 20.589 4.295 ( 6.959 0.000 -4.250) 8.154 4.577 ( -1.836 -0.000 3.648) 4.084 5.419 ( -18.178 -0.000 2.968) 18.419 5.481 ( -13.114 -0.000 4.472) 13.856 5.977 ( -10.236 -0.000 0.820) 10.269 6.053 ( -10.661 -0.000 -0.116) 10.662 6.865 ( -0.318 -0.000 2.479) 2.500 7.087 ( 1.966 0.000 1.147) 2.276 7.723 ( -13.279 -0.000 36.681) 39.010 8.216 ( -12.973 -0.000 -11.766) 17.514 8.385 ( -14.454 -0.000 19.649) 24.392 9.427 ( -2.141 -0.000 6.136) 6.499 9.699 ( -4.639 -0.000 -6.073) 7.642 10.174 ( -11.407 -0.000 -14.623) 18.546 10.667 ( 21.059 0.000 18.612) 28.105 11.621 ( 14.660 0.000 -10.515) 18.041 12.141 ( 19.507 0.000 15.155) 24.702 12.226 ( 10.153 0.000 -5.369) 11.485 12.877 ( -1.566 -0.000 4.198) 4.481 13.330 ( -9.047 -0.000 4.521) 10.114 13.566 ( -1.796 -0.000 -12.299) 12.430 14.315 ( 5.066 0.000 -4.556) 6.813 17.788 ( -9.265 -0.000 -17.051) 19.405 18.581 ( 2.760 0.000 4.123) 4.962 19.106 ( 5.365 0.000 1.051) 5.467 19.436 ( -11.238 -0.000 0.539) 11.251 21.694 ( 2.290 0.000 -19.876) 20.008 22.482 ( 1.619 0.000 13.722) 13.817 23.412 ( 9.522 0.000 2.312) 9.798 24.051 ( 4.299 0.000 1.013) 4.416 ======================= Grid point 400 (191/432) ======================= q-point: (-0.73 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -10.458 10.442 -0.068) 14.778 2.890 ( -8.223 -4.703 -9.621) 13.502 3.181 ( -4.338 1.622 -3.181) 5.618 3.237 ( -3.090 -5.318 -1.051) 6.240 3.450 ( 3.589 0.855 13.759) 14.245 3.947 ( 12.305 1.527 -15.802) 20.086 4.367 ( 7.358 -3.314 -3.249) 8.699 4.605 ( -3.781 -8.735 2.628) 9.874 5.137 ( -21.893 4.615 -0.986) 22.396 5.374 ( -10.289 -3.268 0.757) 10.822 5.845 ( -11.343 0.384 0.818) 11.379 5.949 ( -8.701 0.141 4.032) 9.591 6.861 ( -2.772 3.790 1.193) 4.845 7.072 ( -4.466 -1.654 -0.997) 4.866 7.912 ( -18.479 0.348 31.619) 36.624 7.967 ( -2.702 2.672 -9.360) 10.102 8.451 ( -11.843 -5.716 15.348) 20.211 9.450 ( -4.970 1.758 6.736) 8.554 9.557 ( -6.892 -1.520 -4.868) 8.574 9.865 ( -8.539 0.454 -14.726) 17.028 11.116 ( 17.133 -0.425 14.388) 22.377 11.667 ( 15.678 14.607 -6.286) 22.331 12.260 ( 9.605 5.847 -5.194) 12.387 12.548 ( 11.479 -8.280 9.706) 17.162 13.001 ( 6.808 -4.729 9.597) 12.681 13.240 ( -9.892 3.809 3.417) 11.137 13.377 ( -6.559 -3.265 -10.682) 12.953 14.370 ( 10.663 -4.134 -7.031) 13.425 17.492 ( -8.412 -0.119 -14.520) 16.781 18.721 ( 4.130 -1.114 11.619) 12.381 19.199 ( 9.109 0.007 -2.306) 9.396 19.370 ( -0.835 -2.092 1.550) 2.735 21.462 ( 1.539 5.050 -20.504) 21.173 22.590 ( -7.325 -5.398 7.495) 11.788 23.606 ( 11.833 0.929 6.516) 13.540 24.116 ( 2.780 0.404 2.911) 4.045 ======================= Grid point 401 (192/432) ======================= q-point: (-0.64 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -12.072 11.273 1.861) 16.622 2.656 ( -13.182 1.158 -9.522) 16.303 3.116 ( -3.141 -3.063 0.992) 4.499 3.233 ( -5.390 -8.592 0.312) 10.147 3.596 ( 2.111 5.357 8.214) 10.032 3.874 ( 2.718 -0.528 -13.088) 13.377 4.448 ( 3.008 -4.642 -0.293) 5.539 4.649 ( -8.556 -4.617 -0.977) 9.771 4.845 ( -12.005 -6.020 -1.137) 13.478 5.305 ( -4.892 -3.368 0.436) 5.955 5.692 ( -13.259 0.533 1.096) 13.315 5.916 ( -5.803 0.900 7.307) 9.375 6.739 ( -8.863 5.863 -1.129) 10.687 7.008 ( -8.265 -4.748 -0.475) 9.544 7.853 ( 2.746 0.842 -8.949) 9.399 7.972 ( -20.348 0.210 22.417) 30.276 8.528 ( -8.049 -4.260 13.695) 16.447 9.410 ( -7.467 3.457 2.977) 8.750 9.457 ( -8.809 -9.448 -1.710) 13.031 9.653 ( -1.724 1.882 -6.986) 7.438 11.412 ( 11.694 7.972 5.869) 15.322 11.644 ( 12.625 20.995 0.310) 24.500 12.261 ( 8.154 4.619 -6.919) 11.649 12.773 ( 3.317 -9.491 1.540) 10.171 13.061 ( -11.173 5.194 -2.640) 12.601 13.172 ( -7.285 -3.643 2.912) 8.650 13.429 ( 15.804 -5.001 10.356) 19.545 14.491 ( 13.703 -10.309 -10.312) 20.010 17.243 ( -7.380 0.446 -10.095) 12.513 18.947 ( 6.431 -1.772 10.895) 12.775 19.289 ( 9.762 1.653 0.145) 9.902 19.490 ( 11.573 -3.980 1.213) 12.298 21.189 ( -0.447 6.036 -19.620) 20.533 22.566 ( -12.772 -8.555 1.578) 15.453 23.804 ( 8.711 4.974 6.769) 12.101 24.203 ( 1.826 -2.439 6.800) 7.452 ======================= Grid point 402 (193/432) ======================= q-point: (-0.55 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -13.326 12.237 8.191) 19.860 2.326 ( -15.993 8.625 -6.467) 19.287 3.181 ( 0.145 -9.734 3.284) 10.274 3.247 ( -5.927 -9.242 1.670) 11.106 3.608 ( -1.198 9.930 4.394) 10.925 3.744 ( -6.129 -2.315 -5.612) 8.626 4.371 ( -14.476 -0.918 -3.717) 14.974 4.599 ( 2.834 -3.625 4.483) 6.424 4.892 ( -1.318 -16.702 -4.355) 17.311 5.330 ( 1.156 -4.158 3.005) 5.259 5.537 ( -13.892 -0.835 3.750) 14.413 5.947 ( -2.813 1.417 9.046) 9.579 6.536 ( -13.211 3.279 -1.656) 13.712 6.915 ( -12.286 -5.946 -0.420) 13.656 7.785 ( -0.885 -0.631 -6.323) 6.415 7.925 ( -12.057 0.525 9.266) 15.215 8.628 ( -4.692 -1.617 13.330) 14.224 9.295 ( -6.938 0.395 -1.586) 7.128 9.450 ( -10.326 -15.384 2.817) 18.741 9.615 ( 2.038 2.809 1.828) 3.922 11.341 ( 6.797 30.852 -4.116) 31.859 11.744 ( 9.336 8.143 7.688) 14.579 12.231 ( 6.124 4.599 -7.971) 11.055 12.843 ( -5.358 2.974 -7.013) 9.313 12.858 ( -5.896 -1.785 5.943) 8.560 13.153 ( -4.221 -9.869 -0.616) 10.751 13.799 ( 15.112 -0.327 9.802) 18.016 14.653 ( 14.552 -15.609 -12.495) 24.729 17.088 ( -4.176 -0.102 -1.893) 4.587 19.096 ( 8.282 1.303 -2.352) 8.708 19.456 ( 8.770 0.150 6.439) 10.881 19.744 ( 20.485 -1.933 2.815) 20.768 20.907 ( -3.039 4.806 -17.291) 18.202 22.460 ( -16.186 -11.417 -0.833) 19.825 23.884 ( 4.819 9.113 3.044) 10.748 24.359 ( -0.357 -6.399 10.312) 12.141 ======================= Grid point 403 (194/432) ======================= q-point: (-0.45 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -15.324 16.146 2.447) 22.394 2.102 ( -12.594 14.013 12.668) 22.704 3.261 ( -6.458 -7.482 2.324) 10.154 3.296 ( -0.927 -4.378 2.229) 5.000 3.526 ( -8.551 0.890 5.638) 10.281 3.692 ( -2.677 0.031 5.176) 5.828 4.198 ( -6.190 -3.879 -6.224) 9.597 4.765 ( 4.726 -5.050 8.570) 11.013 4.926 ( -3.906 -15.116 -5.657) 16.605 5.432 ( -3.235 -3.081 4.351) 6.236 5.492 ( -3.294 -6.436 9.427) 11.880 6.014 ( -1.487 1.676 8.794) 9.075 6.330 ( -15.371 -1.583 0.839) 15.475 6.786 ( -12.686 -6.190 -2.130) 14.275 7.675 ( -8.638 -0.166 -1.472) 8.764 7.914 ( 0.572 -2.773 -0.134) 2.835 8.724 ( -2.123 4.296 11.808) 12.744 9.199 ( -7.239 -4.453 -1.525) 8.635 9.488 ( -12.500 -20.366 2.306) 24.007 9.683 ( 4.256 3.426 6.671) 8.623 11.075 ( 3.905 35.602 -4.066) 36.046 11.858 ( 6.810 8.716 6.169) 12.665 12.159 ( 4.490 6.331 -8.516) 11.522 12.663 ( -9.684 5.790 1.100) 11.337 12.879 ( -1.549 -1.126 3.353) 3.862 13.195 ( 0.454 -12.015 -5.474) 13.210 13.995 ( 8.272 4.968 0.333) 9.655 14.829 ( 12.696 -18.420 -13.263) 26.007 17.132 ( 1.970 -4.645 9.863) 11.078 19.120 ( 11.900 2.790 -12.031) 17.150 19.576 ( 2.080 1.800 2.206) 3.526 20.106 ( 26.827 1.487 4.441) 27.233 20.643 ( -6.224 2.464 -12.469) 14.152 22.344 ( -17.548 -14.545 0.933) 22.812 23.877 ( 3.513 9.375 0.678) 10.034 24.487 ( -6.041 -6.814 7.579) 11.848 ======================= Grid point 404 (195/432) ======================= q-point: (-0.36 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -6.221 19.185 14.206) 24.670 1.982 ( -11.445 15.599 15.205) 24.607 3.229 ( -10.551 8.011 12.292) 18.072 3.281 ( -6.540 -6.305 0.933) 9.133 3.555 ( 1.002 -6.486 0.259) 6.568 3.777 ( -2.346 -3.781 11.241) 12.089 4.113 ( 0.004 -3.475 -7.499) 8.265 4.913 ( 1.714 -8.717 -6.152) 10.806 5.015 ( -0.818 -7.862 15.082) 17.028 5.477 ( -2.996 -4.717 6.306) 8.425 5.674 ( 0.772 -9.704 10.888) 14.606 6.067 ( -2.706 1.765 8.070) 8.693 6.220 ( -14.095 -7.455 6.922) 17.383 6.659 ( -7.739 -4.998 -3.756) 9.949 7.558 ( -8.826 -1.101 0.197) 8.897 7.951 ( 0.770 -5.085 -2.584) 5.756 8.744 ( -2.807 11.402 8.839) 14.697 9.190 ( -3.463 -11.592 2.111) 12.281 9.502 ( -14.589 -21.058 0.792) 25.630 9.784 ( 4.435 6.423 5.782) 9.714 10.788 ( 2.963 33.975 -1.444) 34.135 11.925 ( 6.304 11.451 4.967) 13.983 12.052 ( 3.639 6.495 -8.983) 11.667 12.509 ( -9.592 6.254 1.730) 11.581 12.919 ( 0.333 0.219 3.782) 3.803 13.222 ( 1.935 -9.217 -7.698) 12.164 13.957 ( 1.453 9.460 -5.282) 10.931 14.957 ( 8.310 -18.203 -15.899) 25.558 17.444 ( 8.460 -13.216 17.677) 23.638 19.097 ( 13.483 -0.783 -18.748) 23.106 19.542 ( -1.127 5.294 -2.168) 5.830 20.381 ( 1.691 -2.605 -13.241) 13.601 20.517 ( 16.508 8.860 9.491) 21.002 22.284 ( -16.998 -17.331 4.733) 24.732 23.848 ( 3.558 7.629 -0.915) 8.467 24.453 ( -13.838 -3.107 0.637) 14.197 ======================= Grid point 405 (196/432) ======================= q-point: (-0.27 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.865 13.309 19.236) 23.407 1.911 ( -6.822 16.250 17.964) 25.166 3.219 ( -7.498 10.922 22.058) 25.730 3.258 ( -4.376 -6.097 -2.034) 7.775 3.627 ( 3.389 -5.581 -2.273) 6.914 3.909 ( -2.515 -2.719 10.384) 11.024 4.092 ( 3.390 -6.366 -5.905) 9.321 4.911 ( 4.195 -0.924 -6.654) 7.920 5.270 ( -1.766 -8.393 17.736) 19.701 5.514 ( -4.007 -0.027 4.039) 5.690 5.952 ( 2.890 -16.849 13.513) 21.791 6.114 ( -3.998 1.621 9.105) 10.075 6.219 ( -15.693 -10.271 13.948) 23.374 6.618 ( 1.186 -4.764 -2.463) 5.493 7.448 ( -8.875 -0.638 -2.736) 9.309 7.923 ( -6.923 -3.449 -0.714) 7.768 8.731 ( -1.685 8.465 11.212) 14.149 9.325 ( -0.522 -13.316 3.712) 13.833 9.512 ( -9.134 -19.864 1.370) 21.906 9.782 ( 2.559 15.031 1.412) 15.313 10.580 ( 3.155 26.354 2.304) 26.642 11.872 ( 5.124 22.012 -2.561) 22.745 12.003 ( 3.977 -1.926 -6.412) 7.787 12.334 ( -10.791 4.449 -1.044) 11.718 12.953 ( 1.158 3.861 3.138) 5.108 13.250 ( 4.432 -4.427 -3.144) 7.009 13.806 ( -2.543 9.171 -4.280) 10.435 14.972 ( 3.505 -15.983 -19.660) 25.579 17.891 ( 9.628 -16.771 13.294) 23.467 19.037 ( 2.363 -11.632 -20.533) 23.717 19.487 ( 9.742 8.472 -2.806) 13.212 20.196 ( -9.109 -1.615 -8.529) 12.583 20.807 ( 21.625 11.191 6.875) 25.302 22.296 ( -14.964 -18.441 6.583) 24.644 23.826 ( 4.131 5.212 -2.131) 6.984 24.194 ( -20.042 4.712 -4.939) 21.173 ======================= Grid point 406 (197/432) ======================= q-point: (-0.18 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -5.584 9.770 20.654) 23.521 2.038 ( 8.127 10.276 18.582) 22.736 3.224 ( -2.260 -5.139 -4.295) 7.069 3.356 ( 0.360 10.027 23.151) 25.231 3.669 ( 1.408 -6.433 -5.105) 8.332 3.971 ( -2.153 1.225 5.786) 6.294 4.175 ( 4.961 -9.211 -2.825) 10.837 4.880 ( 5.582 5.201 -7.729) 10.861 5.408 ( -1.970 -2.581 1.097) 3.427 5.563 ( -6.792 1.091 18.855) 20.071 6.156 ( -9.617 -1.460 16.262) 18.949 6.254 ( -1.384 -11.570 10.181) 15.473 6.354 ( -5.171 -14.463 18.302) 23.893 6.688 ( 3.674 -5.454 0.003) 6.576 7.244 ( -10.600 2.448 -8.039) 13.527 7.886 ( -11.003 -4.588 10.889) 16.146 8.812 ( 0.026 2.654 11.267) 11.575 9.400 ( -5.955 -12.380 -0.655) 13.753 9.658 ( 3.752 3.713 2.949) 6.046 9.705 ( 2.564 0.164 4.990) 5.613 10.462 ( 2.606 17.306 2.020) 17.617 11.694 ( 4.321 24.639 -4.384) 25.397 11.935 ( 2.278 0.795 -13.618) 13.830 12.182 ( -9.018 -4.152 -1.131) 9.992 12.967 ( 1.390 8.570 5.869) 10.479 13.342 ( 7.159 -1.318 1.085) 7.360 13.661 ( -3.355 5.818 -2.949) 7.335 14.871 ( -0.650 -12.737 -21.397) 24.909 18.216 ( 9.286 -10.231 2.377) 14.020 18.869 ( -12.756 -15.683 -15.074) 25.217 19.598 ( 15.678 2.820 -4.088) 16.446 19.976 ( -8.544 2.644 -8.528) 12.358 21.056 ( 15.995 7.035 8.647) 19.496 22.331 ( -10.954 -14.668 3.462) 18.631 23.786 ( -12.222 9.438 -4.504) 16.086 23.839 ( -1.307 4.290 -2.940) 5.362 ======================= Grid point 407 (198/432) ======================= q-point: (-0.09 0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -1.326 4.401 23.378) 23.825 2.296 ( 10.851 7.610 16.825) 21.418 3.196 ( 0.474 -4.779 -5.481) 7.287 3.529 ( 2.616 6.962 12.873) 14.867 3.651 ( -0.634 -7.917 -8.861) 11.899 3.997 ( 1.090 1.957 2.764) 3.558 4.260 ( 3.031 -5.469 -2.588) 6.767 4.773 ( 2.472 10.506 -8.059) 13.470 5.423 ( -2.179 -1.200 5.631) 6.156 5.639 ( -9.284 2.438 14.895) 17.720 6.210 ( -8.089 -0.287 9.659) 12.603 6.497 ( -6.611 -8.968 26.145) 28.420 6.554 ( -2.938 -5.831 4.877) 8.150 6.778 ( 2.004 -4.946 1.629) 5.580 7.045 ( -8.015 -2.086 0.249) 8.285 7.966 ( -12.005 -8.927 18.283) 23.623 8.925 ( 0.727 -0.202 8.393) 8.427 9.402 ( -5.366 -7.092 1.785) 9.071 9.653 ( 4.643 16.574 5.419) 18.045 9.816 ( -0.643 -2.098 1.517) 2.667 10.466 ( 7.547 -2.562 0.896) 8.020 11.496 ( 4.664 24.289 -2.777) 24.888 11.795 ( 2.486 0.300 -13.791) 14.017 12.116 ( -3.575 -8.408 -5.942) 10.899 12.977 ( 0.188 12.176 8.534) 14.870 13.437 ( 1.788 -2.459 -1.027) 3.209 13.584 ( 3.624 4.740 -0.265) 5.973 14.694 ( -3.617 -8.980 -19.488) 21.760 18.388 ( 11.766 -4.073 -5.585) 13.646 18.656 ( -16.093 -14.073 -10.227) 23.699 19.530 ( -9.861 8.520 -7.991) 15.287 19.850 ( 2.223 0.523 -3.665) 4.318 21.335 ( 12.381 -3.770 10.729) 16.811 22.312 ( -4.174 -3.657 -3.315) 6.464 23.482 ( -10.177 9.433 -1.413) 13.949 23.855 ( 5.738 0.601 -2.495) 6.286 ======================= Grid point 411 (199/432) ======================= q-point: ( 0.27 -0.73 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -12.598 -0.000 -1.188) 12.654 2.644 ( -7.422 -0.000 -9.515) 12.067 3.119 ( -7.752 -0.000 2.016) 8.010 3.122 ( -5.457 -0.000 -0.114) 5.458 3.643 ( 1.610 0.000 11.006) 11.123 3.868 ( 4.155 0.000 -17.243) 17.737 4.423 ( 5.650 0.000 -0.187) 5.653 4.564 ( -0.243 -0.000 2.006) 2.020 4.823 ( -23.364 -0.000 -3.620) 23.642 5.274 ( -4.644 -0.000 1.209) 4.799 5.697 ( -13.519 -0.000 1.096) 13.563 5.924 ( -5.561 -0.000 7.328) 9.200 6.822 ( -8.998 -0.000 0.120) 8.999 6.932 ( -8.830 -0.000 -3.856) 9.635 7.862 ( 1.237 0.000 -8.738) 8.825 7.975 ( -21.469 -0.000 24.561) 32.621 8.494 ( -6.876 -0.000 15.595) 17.043 9.357 ( -9.924 -0.000 -7.492) 12.434 9.450 ( -8.378 -0.000 6.822) 10.804 9.676 ( -0.496 -0.000 -8.205) 8.220 11.458 ( 12.817 0.000 10.908) 16.830 11.870 ( 16.134 0.000 -6.402) 17.358 12.349 ( 8.023 0.000 -5.234) 9.580 12.616 ( 0.242 0.000 1.973) 1.988 13.127 ( -7.678 -0.000 -11.122) 13.515 13.133 ( -14.940 -0.000 10.467) 18.241 13.377 ( 20.484 0.000 12.299) 23.892 14.400 ( 13.158 0.000 -11.260) 17.318 17.247 ( -7.351 -0.000 -9.958) 12.378 18.932 ( 7.086 0.000 11.680) 13.661 19.308 ( 11.770 0.000 -2.826) 12.105 19.452 ( 10.751 0.000 3.724) 11.377 21.242 ( -1.119 -0.000 -21.080) 21.110 22.492 ( -12.671 -0.000 2.289) 12.876 23.850 ( 8.506 0.000 10.471) 13.490 24.180 ( 1.489 0.000 3.420) 3.730 ======================= Grid point 413 (200/432) ======================= q-point: (-0.64 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -10.696 5.509 4.090) 12.708 2.446 ( -7.799 4.848 -5.218) 10.562 3.059 ( -5.214 -3.183 3.276) 6.932 3.099 ( -7.517 -7.103 3.443) 10.900 3.700 ( -1.270 -0.758 -13.336) 13.418 3.726 ( -2.916 2.323 6.415) 7.419 4.413 ( -12.602 5.032 -2.208) 13.748 4.559 ( 0.501 -0.608 3.998) 4.075 4.648 ( -1.199 -11.610 -2.746) 11.991 5.284 ( 0.637 -1.360 4.039) 4.309 5.528 ( -16.048 -0.200 3.739) 16.479 5.963 ( -2.679 0.508 8.683) 9.101 6.613 ( -16.744 4.919 -1.019) 17.481 6.798 ( -10.470 -6.510 -4.033) 12.972 7.787 ( 1.156 0.306 -7.384) 7.480 7.938 ( -17.003 0.620 13.782) 21.896 8.607 ( -4.336 -0.564 15.741) 16.337 9.181 ( -7.064 -7.071 -7.916) 12.750 9.389 ( -11.806 1.469 6.688) 13.648 9.648 ( 2.917 0.967 0.418) 3.101 11.674 ( 9.019 7.035 4.891) 12.440 11.935 ( 11.864 12.106 -2.958) 17.206 12.328 ( 4.978 8.333 -5.421) 11.118 12.688 ( 0.250 -14.070 -1.256) 14.128 12.918 ( -6.065 3.031 -6.328) 9.275 13.047 ( -13.063 -2.838 5.984) 14.646 13.789 ( 17.023 -0.506 12.230) 20.967 14.458 ( 14.508 -6.528 -14.452) 21.493 17.087 ( -4.534 -0.033 -3.424) 5.682 19.110 ( 11.270 0.408 -3.574) 11.830 19.458 ( 8.376 0.074 6.641) 10.690 19.724 ( 22.020 -0.582 5.136) 22.618 20.963 ( -4.160 1.788 -19.529) 20.047 22.329 ( -15.760 -4.021 -0.538) 16.274 24.020 ( 2.988 6.113 8.747) 11.082 24.255 ( 0.059 -5.077 5.317) 7.352 ======================= Grid point 414 (201/432) ======================= q-point: (-0.55 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -8.666 13.908 3.213) 16.699 2.321 ( -7.581 11.126 10.295) 16.948 3.096 ( -5.090 -9.538 2.386) 11.072 3.145 ( -4.216 -10.732 6.346) 13.161 3.553 ( -2.504 -0.072 -7.958) 8.343 3.715 ( -5.271 1.153 4.754) 7.191 4.198 ( -8.141 3.863 0.203) 9.013 4.662 ( 1.283 -9.135 -3.623) 9.911 4.721 ( 1.141 -5.998 7.039) 9.318 5.394 ( 0.019 -1.586 6.678) 6.864 5.404 ( -11.981 -3.682 9.302) 15.608 6.034 ( -1.244 0.786 8.405) 8.533 6.333 ( -20.516 1.560 1.084) 20.603 6.667 ( -9.884 -7.041 -5.089) 13.159 7.701 ( -3.156 2.456 -4.018) 5.669 7.875 ( -6.377 -1.887 2.362) 7.057 8.744 ( -2.821 -0.445 15.192) 15.459 9.098 ( -5.595 -9.437 -5.986) 12.498 9.291 ( -14.574 -1.821 6.936) 16.243 9.728 ( 4.695 1.766 6.228) 7.997 11.629 ( 6.488 27.229 -3.824) 28.251 11.977 ( 6.150 6.399 2.820) 9.313 12.252 ( 2.561 5.832 -4.901) 8.037 12.772 ( -2.919 6.787 -1.777) 7.599 12.791 ( -1.423 -11.927 0.064) 12.012 13.009 ( -5.820 -7.935 1.456) 9.947 14.053 ( 8.975 2.424 4.326) 10.254 14.554 ( 13.682 -13.296 -15.430) 24.537 17.076 ( 0.574 -2.108 5.422) 5.846 19.137 ( 12.475 -0.108 -17.380) 21.394 19.621 ( 3.082 2.689 8.021) 9.004 20.125 ( 29.300 0.771 4.864) 29.711 20.673 ( -6.891 1.178 -15.116) 16.654 22.163 ( -16.267 -7.109 0.926) 17.777 24.036 ( 0.071 9.464 3.863) 10.222 24.362 ( -4.403 -7.955 6.221) 11.017 ======================= Grid point 415 (202/432) ======================= q-point: (-0.45 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -5.721 17.340 10.579) 21.103 2.254 ( -5.762 16.926 13.410) 22.350 3.130 ( -5.943 -9.083 2.466) 11.131 3.258 ( -3.301 -8.430 4.892) 10.290 3.481 ( -0.723 -0.752 0.509) 1.161 3.718 ( -2.545 -3.297 4.090) 5.837 4.133 ( -1.146 5.164 2.606) 5.896 4.715 ( 2.988 -13.051 -4.528) 14.133 4.906 ( -0.115 -4.960 14.151) 14.995 5.390 ( -11.336 -5.819 13.312) 18.428 5.551 ( 0.938 -4.315 8.264) 9.370 6.083 ( -6.673 0.279 7.205) 9.824 6.141 ( -12.371 -2.495 6.173) 14.049 6.560 ( -5.282 -6.310 -5.215) 9.742 7.580 ( -5.467 3.532 -1.907) 6.783 7.861 ( -0.451 -5.558 -3.679) 6.681 8.875 ( -2.263 2.808 12.619) 13.124 9.035 ( -6.465 -6.394 -0.279) 9.097 9.225 ( -14.025 -10.567 5.031) 18.267 9.863 ( 5.369 3.292 8.467) 10.552 11.375 ( 3.965 34.479 -4.892) 35.049 12.009 ( 3.511 2.432 -2.352) 4.876 12.196 ( 1.330 6.716 -0.337) 6.854 12.648 ( -5.947 10.270 2.031) 12.040 12.873 ( 1.833 -8.315 -1.229) 8.603 13.057 ( 1.193 -8.261 -0.059) 8.347 14.082 ( 1.458 5.815 -3.610) 6.998 14.656 ( 9.502 -16.847 -16.220) 25.242 17.273 ( 6.394 -7.349 13.637) 16.758 19.046 ( 8.717 -3.764 -24.825) 26.579 19.662 ( 1.571 7.327 2.143) 7.794 20.340 ( -1.263 -2.201 -15.297) 15.506 20.636 ( 22.906 5.325 9.333) 25.301 22.065 ( -14.234 -9.249 4.666) 17.604 23.983 ( -0.443 8.314 0.903) 8.375 24.376 ( -10.752 -5.821 2.262) 12.434 ======================= Grid point 416 (203/432) ======================= q-point: (-0.36 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -2.799 13.602 13.232) 19.182 2.205 ( -2.521 18.922 14.342) 23.877 3.144 ( -4.694 -7.299 -0.129) 8.679 3.332 ( -1.297 -0.163 9.655) 9.743 3.538 ( 2.134 -3.791 1.471) 4.593 3.802 ( 0.241 -7.711 4.698) 9.032 4.106 ( -0.601 6.629 3.719) 7.625 4.843 ( 8.458 -7.322 -3.843) 11.829 5.125 ( -2.710 -8.190 17.678) 19.671 5.491 ( -6.326 -4.619 13.776) 15.847 5.681 ( -6.181 -11.316 11.839) 17.504 6.095 ( -8.755 -5.282 11.862) 15.660 6.141 ( -3.775 0.584 6.735) 7.743 6.532 ( 0.934 -5.175 -2.889) 6.000 7.458 ( -6.379 2.124 -2.875) 7.312 7.841 ( -2.410 -5.563 -5.058) 7.895 8.876 ( -5.727 7.997 9.499) 13.674 9.110 ( -5.198 -11.831 7.117) 14.753 9.232 ( -5.470 -13.183 4.069) 14.841 9.976 ( 4.542 8.174 7.064) 11.719 11.080 ( 2.210 32.549 -3.419) 32.802 11.981 ( 4.063 -0.366 -8.819) 9.717 12.150 ( -1.692 9.131 3.323) 9.863 12.467 ( -6.338 12.328 -4.014) 14.432 12.948 ( 1.797 -6.201 -0.315) 6.464 13.177 ( 6.509 -2.472 4.190) 8.126 13.949 ( -4.187 7.368 -5.170) 9.927 14.688 ( 4.582 -17.215 -19.130) 26.141 17.643 ( 9.500 -12.399 15.867) 22.265 18.865 ( 0.479 -8.629 -25.286) 26.722 19.631 ( 7.204 8.278 -3.997) 11.679 20.136 ( -9.096 -4.744 -10.117) 14.408 21.004 ( 24.448 11.255 8.158) 28.124 22.054 ( -9.993 -10.842 6.250) 16.015 23.919 ( 0.211 5.792 -1.104) 5.900 24.224 ( -16.153 -0.602 -2.658) 16.381 ======================= Grid point 417 (204/432) ======================= q-point: (-0.27 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.606 11.099 13.546) 17.523 2.239 ( 3.372 13.562 15.846) 21.128 3.129 ( -2.845 -5.888 -3.080) 7.228 3.449 ( 1.454 -1.858 6.688) 7.092 3.601 ( 2.040 -0.207 2.001) 2.865 3.924 ( -2.446 -7.693 5.075) 9.535 4.122 ( 4.710 4.831 4.547) 8.136 4.934 ( 9.308 1.015 -5.278) 10.748 5.332 ( -2.409 -6.443 9.809) 11.981 5.589 ( -6.482 2.052 18.024) 19.263 5.913 ( -7.702 -21.179 19.740) 29.959 6.163 ( -6.377 -2.322 10.584) 12.573 6.228 ( -1.797 -3.375 13.696) 14.220 6.593 ( 3.846 -5.565 -0.647) 6.796 7.279 ( -9.779 1.898 -7.850) 12.683 7.803 ( -4.919 -4.551 0.995) 6.775 8.877 ( -4.799 4.454 11.449) 13.189 9.175 ( -7.770 -13.572 3.176) 15.958 9.429 ( 5.084 -13.103 7.158) 15.773 9.999 ( 4.489 16.249 5.514) 17.736 10.825 ( -0.114 25.434 -1.495) 25.478 11.924 ( 5.016 0.435 -11.819) 12.847 12.055 ( -4.760 9.851 0.689) 10.962 12.201 ( -5.305 11.487 -9.209) 15.649 13.023 ( 1.619 -2.913 2.973) 4.466 13.344 ( 8.741 2.638 6.414) 11.158 13.768 ( -6.213 6.181 -3.318) 9.371 14.627 ( 0.628 -15.926 -21.043) 26.398 18.029 ( 9.314 -11.496 10.613) 18.208 18.645 ( -7.313 -11.039 -18.666) 22.885 19.644 ( 11.562 2.582 -7.857) 14.215 19.957 ( -8.589 -3.646 -7.093) 11.720 21.232 ( 12.133 13.180 8.179) 19.693 22.132 ( -0.431 -9.657 3.779) 10.379 23.870 ( 0.744 3.250 -2.869) 4.399 23.937 ( -16.383 4.909 -4.235) 17.619 ======================= Grid point 418 (205/432) ======================= q-point: (-0.18 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.003 8.525 16.103) 18.220 2.428 ( 10.619 7.797 15.190) 20.107 3.109 ( -0.631 -5.155 -4.206) 6.683 3.496 ( -1.260 -7.871 -5.921) 9.930 3.655 ( 2.840 4.489 4.067) 6.690 3.969 ( -3.000 -5.762 0.740) 6.538 4.245 ( 8.134 4.416 6.441) 11.276 4.931 ( 5.683 7.888 -6.053) 11.452 5.404 ( -3.004 -1.353 6.325) 7.131 5.678 ( -9.360 2.204 16.423) 19.031 6.193 ( -7.251 -4.309 6.434) 10.608 6.280 ( -4.908 -13.947 28.408) 32.025 6.447 ( 0.429 -6.597 15.935) 17.252 6.689 ( 3.191 -5.464 0.965) 6.401 7.028 ( -11.652 0.105 -6.290) 13.241 7.826 ( -5.837 -6.783 6.701) 11.180 8.932 ( -2.721 0.368 9.843) 10.219 9.234 ( -5.057 -11.842 3.336) 13.302 9.660 ( 1.358 -9.765 4.664) 10.907 9.996 ( 7.699 18.517 7.641) 21.460 10.611 ( -1.198 17.163 -1.781) 17.296 11.785 ( -6.206 1.327 -11.384) 13.034 11.885 ( 3.169 16.327 -6.851) 17.988 12.029 ( 2.326 0.953 -6.319) 6.801 13.101 ( 0.950 0.592 5.539) 5.651 13.435 ( -1.409 3.726 1.282) 4.184 13.672 ( 3.846 5.468 1.717) 6.902 14.504 ( -1.765 -13.450 -19.485) 23.742 18.302 ( 10.596 -6.332 1.487) 12.433 18.445 ( -11.576 -10.531 -9.944) 18.542 19.607 ( -2.999 0.470 -10.854) 11.270 19.851 ( 0.419 -0.349 -3.619) 3.659 21.328 ( 0.954 3.618 8.580) 9.361 22.268 ( 10.040 -1.684 -0.513) 10.193 23.627 ( -12.013 7.398 -4.054) 14.679 23.864 ( 2.609 0.477 -2.039) 3.345 ======================= Grid point 419 (206/432) ======================= q-point: (-0.09 0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.468 1.679 17.469) 17.556 2.693 ( 12.502 6.984 13.934) 19.981 3.106 ( 1.592 -4.791 -4.571) 6.810 3.449 ( -1.748 -8.445 -9.502) 12.832 3.652 ( -0.568 4.992 -1.056) 5.134 3.974 ( 1.119 -5.284 -6.034) 8.099 4.365 ( 7.493 7.336 4.200) 11.296 4.831 ( 2.460 12.257 -3.860) 13.084 5.446 ( -6.595 -1.471 8.757) 11.061 5.697 ( -10.231 2.433 13.114) 16.810 6.174 ( -9.037 -1.121 5.292) 10.532 6.418 ( -9.208 -1.435 -2.201) 9.576 6.730 ( -0.518 -4.026 14.195) 14.764 6.808 ( 0.749 -5.454 10.505) 11.860 6.986 ( -5.321 -9.680 18.669) 21.692 7.908 ( -5.595 -10.673 7.280) 14.079 9.005 ( -4.547 -0.114 9.018) 10.100 9.334 ( -2.277 -9.512 7.005) 12.031 9.633 ( -9.719 3.556 -3.103) 10.804 10.088 ( 11.589 12.455 8.854) 19.179 10.541 ( 5.217 2.964 -0.116) 6.001 11.506 ( -13.083 -1.371 -12.392) 18.072 11.793 ( 12.086 12.525 -4.060) 17.872 12.041 ( 9.155 -0.284 -5.843) 10.864 13.148 ( -0.874 7.088 6.726) 9.810 13.337 ( -7.883 -3.161 -2.028) 8.732 13.744 ( 8.867 7.161 0.394) 11.405 14.382 ( -1.444 -9.102 -13.264) 16.151 18.271 ( -9.471 -6.657 -8.569) 14.403 18.470 ( 9.525 -3.719 -3.354) 10.761 19.364 ( -8.723 6.699 -8.605) 13.965 19.798 ( -7.117 1.344 -0.197) 7.245 21.434 ( -0.181 -10.778 3.732) 11.407 22.393 ( 14.894 8.566 -0.754) 17.198 23.425 ( -4.900 5.564 -2.162) 7.722 23.891 ( 3.858 -1.458 -1.348) 4.339 ======================= Grid point 424 (207/432) ======================= q-point: ( 0.36 -0.64 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -5.303 -0.000 1.351) 5.472 2.421 ( -4.032 -0.000 11.773) 12.444 3.006 ( -6.435 -0.000 3.501) 7.326 3.028 ( -6.983 -0.000 6.435) 9.496 3.546 ( 1.727 0.000 -11.534) 11.662 3.720 ( -8.107 -0.000 3.857) 8.977 4.256 ( -10.291 -0.000 1.999) 10.484 4.558 ( 2.284 0.000 -6.553) 6.940 4.682 ( 3.111 0.000 10.369) 10.825 5.369 ( -5.110 -0.000 7.997) 9.491 5.384 ( -9.173 -0.000 8.736) 12.668 6.041 ( -1.113 -0.000 8.131) 8.207 6.355 ( -24.651 -0.000 1.886) 24.723 6.596 ( -6.365 -0.000 -6.887) 9.378 7.728 ( 2.016 0.000 -6.534) 6.838 7.856 ( -12.585 -0.000 5.092) 13.576 8.739 ( -3.811 -0.000 16.000) 16.448 9.001 ( -3.843 -0.000 -5.536) 6.740 9.294 ( -15.239 -0.000 6.728) 16.659 9.742 ( 4.951 0.000 5.957) 7.746 11.856 ( 6.615 0.000 2.472) 7.062 12.057 ( 7.937 0.000 -6.595) 10.320 12.396 ( 5.151 0.000 -4.077) 6.569 12.557 ( -4.573 -0.000 -1.480) 4.807 12.857 ( 3.699 0.000 -3.622) 5.177 12.935 ( -14.023 -0.000 7.716) 16.006 14.076 ( 8.932 0.000 7.252) 11.505 14.432 ( 14.457 0.000 -17.776) 22.913 17.059 ( 0.269 0.000 3.929) 3.939 19.134 ( 12.477 0.000 -19.341) 23.016 19.646 ( 3.461 0.000 10.477) 11.033 20.132 ( 30.080 0.000 4.951) 30.484 20.683 ( -6.893 -0.000 -16.505) 17.887 22.104 ( -15.705 -0.000 1.122) 15.745 24.158 ( -3.505 -0.000 8.873) 9.540 24.254 ( -1.490 -0.000 1.775) 2.318 ======================= Grid point 426 (208/432) ======================= q-point: (-0.55 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -5.882 8.422 6.385) 12.095 2.522 ( 0.341 12.631 15.321) 19.859 2.996 ( -5.712 -5.409 4.150) 8.894 3.060 ( -5.693 -11.198 5.556) 13.736 3.481 ( 5.322 -0.057 -7.890) 9.518 3.679 ( -3.993 -1.149 4.018) 5.780 4.222 ( -3.437 3.595 8.792) 10.102 4.543 ( 3.119 -6.020 -4.703) 8.251 4.853 ( 1.242 -1.411 12.528) 12.669 5.307 ( -16.840 -3.163 15.320) 22.985 5.515 ( 2.285 -0.725 8.634) 8.960 6.090 ( -14.366 0.770 6.140) 15.642 6.114 ( -7.437 -1.290 6.112) 9.712 6.475 ( -2.407 -3.023 -5.823) 6.988 7.661 ( -1.413 5.538 -4.130) 7.051 7.766 ( -3.685 -5.676 -3.728) 7.727 8.863 ( -5.213 -1.385 14.458) 15.431 8.947 ( -1.661 -3.863 -1.210) 4.376 9.164 ( -16.471 0.374 7.633) 18.158 9.898 ( 5.589 1.017 9.342) 10.933 11.854 ( 5.592 18.246 -4.882) 19.698 12.037 ( 3.308 0.744 -7.125) 7.891 12.313 ( -1.781 11.400 1.139) 11.594 12.614 ( 0.026 -20.239 -4.269) 20.684 12.814 ( -7.400 8.022 5.668) 12.298 12.966 ( 5.605 -4.174 3.689) 7.902 14.162 ( 0.036 3.545 0.040) 3.545 14.431 ( 11.862 -8.677 -18.752) 23.825 17.193 ( 5.764 -2.298 10.980) 12.612 18.999 ( 7.415 -1.583 -27.121) 28.161 19.754 ( 1.119 3.055 5.104) 6.053 20.312 ( -2.955 -0.941 -17.704) 17.974 20.695 ( 27.635 1.711 8.598) 28.992 21.966 ( -12.942 -2.830 5.082) 14.189 24.120 ( -5.130 7.634 3.264) 9.759 24.267 ( -6.801 -6.828 1.405) 9.739 ======================= Grid point 427 (209/432) ======================= q-point: (-0.45 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -4.128 10.410 8.352) 13.970 2.535 ( -0.217 20.030 11.510) 23.103 3.024 ( -4.196 -6.477 2.285) 8.049 3.192 ( -2.047 -14.372 5.993) 15.705 3.504 ( 7.503 -1.547 -3.900) 8.597 3.721 ( -0.980 -1.754 5.945) 6.275 4.247 ( -1.673 8.795 9.114) 12.776 4.681 ( 9.746 -10.680 1.094) 14.500 5.021 ( -2.495 -3.826 14.942) 15.624 5.352 ( -13.566 -8.342 19.010) 24.799 5.615 ( -3.455 0.048 9.296) 9.918 6.030 ( -7.678 -2.425 10.910) 13.559 6.134 ( -3.222 -1.187 4.578) 5.723 6.458 ( 1.968 -3.261 -1.862) 4.240 7.513 ( -6.156 3.847 -5.328) 9.005 7.754 ( 2.605 -4.500 -6.322) 8.186 8.945 ( -12.069 -7.379 10.689) 17.730 8.967 ( -2.620 1.711 5.835) 6.621 9.089 ( -6.048 -3.180 8.124) 10.616 10.068 ( 5.356 3.271 10.176) 11.955 11.616 ( 2.759 29.419 -8.456) 30.734 11.981 ( 3.940 0.046 -9.771) 10.535 12.227 ( -7.708 2.541 2.736) 8.565 12.665 ( -0.713 3.338 -7.282) 8.042 12.770 ( -3.422 -7.941 6.922) 11.076 13.164 ( 11.202 -0.257 7.465) 13.464 14.051 ( -6.240 5.000 -4.353) 9.104 14.426 ( 6.514 -13.115 -19.567) 24.440 17.486 ( 9.484 -6.266 15.262) 19.029 18.754 ( 0.719 -4.557 -27.482) 27.866 19.754 ( 3.403 6.151 -2.752) 7.549 20.056 ( -9.025 -4.419 -13.180) 16.574 21.160 ( 30.318 6.885 8.196) 32.152 21.921 ( -9.382 -5.260 6.280) 12.455 24.016 ( -4.402 5.662 -0.076) 7.172 24.187 ( -12.010 -3.471 -1.707) 12.617 ======================= Grid point 428 (210/432) ======================= q-point: (-0.36 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 2.680 9.587 8.943) 13.381 2.493 ( -0.567 16.772 10.979) 20.054 3.035 ( -2.463 -5.138 -1.029) 5.790 3.331 ( -1.199 -10.518 1.961) 10.766 3.596 ( 8.873 -1.902 -2.143) 9.324 3.800 ( -4.053 -5.613 6.702) 9.636 4.268 ( 3.218 11.035 9.070) 14.642 4.905 ( 12.615 -4.875 -1.974) 13.667 5.211 ( -3.654 -7.131 16.084) 17.969 5.551 ( -8.417 -13.458 25.227) 29.806 5.664 ( -6.490 -0.332 11.469) 13.182 6.123 ( -4.124 -1.889 12.666) 13.454 6.186 ( -1.243 -2.442 8.068) 8.520 6.514 ( 3.434 -3.557 0.020) 4.944 7.309 ( -9.594 1.620 -8.812) 13.127 7.752 ( 2.614 -1.264 -3.853) 4.824 8.908 ( -15.162 -5.364 9.419) 18.638 9.010 ( -4.653 -1.157 9.078) 10.266 9.251 ( 5.256 -8.357 8.330) 12.917 10.202 ( 4.956 8.222 9.481) 13.492 11.287 ( -0.141 28.506 -8.311) 29.693 11.922 ( 5.886 -0.358 -12.060) 13.425 12.096 ( -12.962 0.145 -0.692) 12.982 12.486 ( 0.114 15.858 -6.816) 17.261 12.896 ( -0.495 -10.381 4.147) 11.189 13.409 ( 12.328 3.851 9.793) 16.208 13.853 ( -10.101 3.927 -3.320) 11.335 14.363 ( 2.362 -14.606 -21.192) 25.846 17.856 ( 9.750 -8.559 14.716) 19.618 18.499 ( -3.214 -6.432 -20.669) 21.884 19.682 ( 3.505 1.898 -11.484) 12.156 19.888 ( -5.149 -3.929 -5.492) 8.492 21.464 ( 12.686 13.762 7.055) 20.002 21.990 ( 5.271 -7.822 3.750) 10.151 23.920 ( -2.717 2.753 -2.493) 4.602 23.987 ( -14.306 1.228 -3.623) 14.809 ======================= Grid point 429 (211/432) ======================= q-point: (-0.27 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 3.691 11.324 9.008) 14.933 2.553 ( 6.033 7.236 12.969) 16.029 3.035 ( -0.191 -3.427 -1.856) 3.902 3.369 ( -1.974 -7.272 -4.083) 8.571 3.687 ( 5.097 -0.530 -1.070) 5.235 3.840 ( -4.349 -8.492 0.209) 9.543 4.372 ( 8.831 9.416 9.126) 15.809 5.023 ( 9.388 2.770 -3.980) 10.567 5.366 ( -4.097 -3.484 11.082) 12.318 5.712 ( -8.753 1.282 14.703) 17.159 5.919 ( -4.859 -19.120 23.786) 30.902 6.226 ( -5.249 0.399 16.570) 17.386 6.343 ( 1.600 -5.485 13.410) 14.576 6.603 ( 3.874 -4.672 1.130) 6.174 7.041 ( -12.369 1.120 -9.757) 15.794 7.760 ( 0.863 -0.979 -0.195) 1.320 8.894 ( -11.332 -7.047 9.232) 16.226 9.073 ( -4.243 -4.512 8.166) 10.249 9.499 ( 5.653 -8.604 7.890) 12.970 10.275 ( 5.007 13.770 8.336) 16.857 10.963 ( -2.366 23.406 -6.941) 24.528 11.787 ( -8.799 -0.060 -12.620) 15.385 11.950 ( 0.854 -0.058 -5.715) 5.779 12.281 ( 4.036 19.133 -6.570) 20.628 13.014 ( -0.958 -9.050 3.622) 9.795 13.533 ( -5.338 6.100 2.678) 8.537 13.757 ( 5.560 4.472 5.726) 9.149 14.260 ( 0.220 -14.981 -20.053) 25.032 18.180 ( 6.769 -7.550 9.750) 14.067 18.316 ( -3.355 -5.209 -11.940) 13.451 19.563 ( -2.544 -4.686 -12.214) 13.327 19.845 ( 2.619 -0.260 -3.707) 4.546 21.444 ( -6.210 9.209 3.870) 11.763 22.248 ( 20.157 -0.871 2.043) 20.279 23.724 ( -11.542 4.340 -5.357) 13.445 23.869 ( -1.478 0.020 -1.463) 2.079 ======================= Grid point 430 (212/432) ======================= q-point: (-0.18 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -1.686 5.799 10.837) 12.406 2.788 ( 12.532 4.194 11.593) 17.579 3.045 ( 1.560 -2.125 -1.618) 3.093 3.331 ( -0.947 -5.168 -7.231) 8.938 3.698 ( -3.302 -0.404 0.597) 3.380 3.858 ( 3.931 -7.429 -8.278) 11.798 4.506 ( 9.183 8.520 5.195) 13.561 5.013 ( 4.372 9.059 -3.711) 10.722 5.434 ( -6.335 -0.289 10.099) 11.925 5.727 ( -10.609 0.758 11.076) 15.356 6.115 ( -9.547 -6.903 9.287) 15.001 6.370 ( -6.564 -3.469 8.098) 10.986 6.634 ( 2.628 -7.284 16.469) 18.199 6.724 ( 0.736 -4.404 5.302) 6.932 6.848 ( -6.702 -5.253 10.677) 13.657 7.789 ( 0.899 -3.357 0.198) 3.481 8.939 ( -9.119 -8.366 9.747) 15.753 9.173 ( -2.210 -7.658 8.001) 11.294 9.651 ( -2.287 -1.391 3.556) 4.451 10.307 ( 4.840 13.046 6.264) 15.260 10.713 ( 1.781 15.787 -3.828) 16.342 11.473 ( -16.326 -0.616 -12.390) 20.504 11.939 ( 9.718 2.986 -7.167) 12.438 12.159 ( 9.178 14.351 -4.009) 17.500 13.100 ( -3.157 -9.294 2.519) 10.134 13.376 ( -10.268 4.440 0.778) 11.214 13.872 ( 6.363 7.168 1.028) 9.640 14.207 ( 4.218 -11.074 -10.013) 15.514 18.188 ( -7.041 -3.215 -4.076) 8.748 18.398 ( 8.908 -4.698 0.099) 10.072 19.412 ( -3.840 -0.693 -10.148) 10.872 19.827 ( -2.345 1.663 -1.106) 3.080 21.330 ( -6.625 -1.533 -0.881) 6.857 22.520 ( 20.924 6.730 2.326) 22.103 23.511 ( -6.395 4.533 -4.103) 8.847 23.859 ( 0.513 -2.392 -0.817) 2.579 ======================= Grid point 431 (213/432) ======================= q-point: (-0.09 0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -6.111 -3.348 10.596) 12.682 2.975 ( 1.364 0.773 5.625) 5.840 3.119 ( 9.606 0.830 1.730) 9.795 3.291 ( 3.067 -3.740 -6.881) 8.411 3.623 ( -5.305 3.664 -1.792) 6.692 3.870 ( 5.723 -5.903 -10.182) 13.087 4.561 ( 8.334 9.872 -2.316) 13.125 4.947 ( 2.693 10.457 0.245) 10.801 5.418 ( -12.347 1.611 8.097) 14.852 5.687 ( -11.513 -0.368 7.418) 13.701 6.095 ( -10.834 -1.190 5.442) 12.182 6.228 ( -11.964 0.970 -5.494) 13.201 6.777 ( -0.690 -3.298 2.756) 4.353 6.817 ( -2.993 -9.853 9.760) 14.188 7.250 ( -0.003 -6.969 36.375) 37.036 7.846 ( 3.915 -6.212 -3.022) 7.940 8.992 ( -12.779 -5.130 11.806) 18.139 9.324 ( -1.222 -9.620 7.898) 12.507 9.518 ( -9.099 8.495 -2.888) 12.779 10.343 ( 4.414 5.943 1.960) 7.658 10.700 ( 9.517 5.302 2.070) 11.089 11.123 ( -14.567 -2.617 -12.197) 19.179 12.001 ( 14.044 3.588 -3.891) 15.008 12.183 ( 12.529 8.031 -0.564) 14.892 13.136 ( -8.169 -10.918 1.127) 13.683 13.254 ( -3.998 6.841 3.086) 8.504 13.802 ( -1.972 1.700 -8.576) 8.962 14.315 ( 10.733 0.425 0.490) 10.753 18.049 ( -7.739 -0.378 -7.573) 10.835 18.515 ( 7.670 -2.799 -3.023) 8.706 19.271 ( -0.342 5.639 -4.603) 7.287 19.704 ( -12.530 4.846 2.126) 13.602 21.304 ( 0.076 -12.230 -6.992) 14.088 22.723 ( 15.276 12.290 5.523) 20.369 23.397 ( 0.546 2.461 -3.804) 4.564 23.903 ( 1.889 -3.806 1.068) 4.381 ======================= Grid point 437 (214/432) ======================= q-point: ( 0.45 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -4.897 -0.000 6.088) 7.813 2.806 ( 3.714 0.000 13.205) 13.717 2.961 ( -3.535 -0.000 3.935) 5.290 2.964 ( -5.290 -0.000 3.175) 6.170 3.488 ( 9.538 0.000 -7.730) 12.277 3.714 ( -2.834 -0.000 8.107) 8.588 4.345 ( 1.746 0.000 10.639) 10.782 4.561 ( 6.030 0.000 3.150) 6.803 4.993 ( -1.476 -0.000 12.711) 12.796 5.277 ( -14.964 -0.000 18.697) 23.948 5.620 ( -2.969 -0.000 10.603) 11.011 6.011 ( -7.865 -0.000 11.058) 13.570 6.119 ( -2.788 -0.000 2.955) 4.063 6.430 ( 2.608 0.000 -1.067) 2.818 7.555 ( -9.025 -0.000 -7.223) 11.560 7.709 ( 7.773 0.000 -6.059) 9.856 8.880 ( -15.586 -0.000 12.313) 19.863 8.963 ( 3.143 0.000 4.479) 5.472 9.083 ( -10.365 -0.000 9.623) 14.144 10.094 ( 5.544 0.000 11.018) 12.335 11.933 ( 5.723 0.000 -10.443) 11.908 11.964 ( 2.502 0.000 -10.406) 10.703 12.279 ( -12.297 -0.000 -3.191) 12.704 12.509 ( 4.664 0.000 0.867) 4.744 12.814 ( -9.557 -0.000 9.265) 13.310 13.158 ( 14.841 0.000 6.184) 16.078 14.106 ( -9.828 -0.000 -1.580) 9.954 14.298 ( 10.105 0.000 -22.124) 24.323 17.434 ( 9.536 0.000 14.659) 17.487 18.715 ( 0.892 0.000 -28.122) 28.136 19.814 ( 1.917 0.000 0.187) 1.926 20.010 ( -9.004 -0.000 -16.772) 19.036 21.220 ( 33.815 0.000 7.991) 34.746 21.877 ( -10.469 -0.000 6.506) 12.326 24.091 ( -10.117 -0.000 2.667) 10.462 24.130 ( -6.533 -0.000 -3.814) 7.565 ======================= Grid point 439 (215/432) ======================= q-point: (-0.45 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 1.752 3.997 6.873) 8.142 2.783 ( -2.567 16.547 5.115) 17.509 2.968 ( -1.249 -2.483 1.027) 2.963 3.117 ( 1.164 -13.997 5.078) 14.935 3.558 ( 12.534 -1.634 -6.403) 14.170 3.743 ( -8.764 -1.580 8.200) 12.105 4.452 ( 6.079 9.344 6.330) 12.819 4.778 ( 9.932 -8.312 6.646) 14.557 5.125 ( -4.143 -2.703 15.912) 16.664 5.373 ( -7.853 -5.509 20.312) 22.463 5.694 ( -6.367 1.544 14.571) 15.976 6.106 ( -1.287 -0.321 12.889) 12.957 6.147 ( -0.634 -1.768 5.545) 5.855 6.476 ( 2.701 -1.096 0.977) 3.075 7.328 ( -10.045 0.537 -9.996) 14.181 7.751 ( 9.154 0.495 -6.420) 11.192 8.792 ( -20.974 -4.540 12.756) 24.964 9.061 ( -3.596 4.064 9.055) 10.556 9.141 ( 3.813 -5.053 8.824) 10.860 10.287 ( 5.408 2.329 11.436) 12.863 11.709 ( 0.525 19.048 -16.298) 25.075 11.902 ( 4.320 -2.995 -13.037) 14.057 12.097 ( -11.915 0.211 -0.114) 11.917 12.591 ( 3.094 -4.433 -3.470) 6.424 12.802 ( -6.628 1.949 9.976) 12.135 13.449 ( 16.021 0.927 9.055) 18.426 13.900 ( -14.989 1.589 -2.835) 15.337 14.176 ( 5.205 -6.530 -21.667) 23.220 17.757 ( 10.283 -3.073 15.710) 19.026 18.428 ( -1.217 -2.138 -21.190) 21.332 19.706 ( -6.495 0.864 -14.495) 15.907 19.839 ( 2.095 -1.679 -3.842) 4.687 21.674 ( 18.435 10.919 6.264) 22.324 21.856 ( 3.197 -8.311 3.992) 9.758 23.961 ( -6.867 2.074 -2.804) 7.702 23.987 ( -10.945 -0.926 -2.692) 11.309 ======================= Grid point 440 (216/432) ======================= q-point: (-0.36 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 9.152 7.290 6.786) 13.526 2.682 ( -3.672 8.370 6.378) 11.145 2.997 ( 1.823 -1.251 0.476) 2.261 3.251 ( 1.140 -6.823 0.519) 6.937 3.660 ( 4.434 -1.901 -2.680) 5.519 3.712 ( -4.042 -6.252 -0.416) 7.456 4.529 ( 8.783 8.710 4.229) 13.072 5.015 ( 10.231 -3.495 1.405) 10.902 5.296 ( -4.491 -4.202 16.623) 17.724 5.602 ( -3.142 -11.161 14.379) 18.472 5.787 ( -9.298 1.485 24.300) 26.060 6.231 ( -2.084 -0.466 11.976) 12.165 6.278 ( 2.053 -1.676 13.013) 13.280 6.538 ( 2.794 -2.979 1.352) 4.302 7.058 ( -11.777 0.778 -10.957) 16.104 7.781 ( 7.450 2.571 -5.048) 9.359 8.735 ( -19.517 -9.083 13.489) 25.404 9.068 ( -5.282 1.656 7.995) 9.724 9.382 ( 7.547 -5.257 10.205) 13.739 10.442 ( 4.075 6.294 10.095) 12.575 11.335 ( -2.908 18.763 -16.378) 25.075 11.789 ( -4.509 0.379 -11.388) 12.254 11.964 ( -1.245 1.756 -3.829) 4.393 12.540 ( 2.830 9.352 -6.679) 11.835 12.859 ( -4.344 -6.874 6.920) 10.677 13.612 ( -11.674 3.356 0.394) 12.153 13.801 ( 10.537 -0.354 9.209) 13.999 14.042 ( 1.200 -9.245 -20.008) 22.073 18.075 ( 6.645 -4.545 12.739) 15.069 18.255 ( 0.547 -2.306 -10.824) 11.080 19.486 ( -4.264 -3.698 -12.705) 13.902 19.841 ( 4.434 -0.158 -4.661) 6.435 21.594 ( -9.947 7.465 -0.794) 12.462 22.234 ( 27.184 -0.833 4.900) 27.635 23.776 ( -9.694 1.944 -6.164) 11.651 23.866 ( -5.761 -0.280 -0.782) 5.821 ======================= Grid point 441 (217/432) ======================= q-point: (-0.27 0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -6.177 7.622 4.858) 10.948 2.830 ( 12.109 0.897 9.663) 15.518 3.034 ( 2.803 0.343 0.061) 2.824 3.287 ( 2.260 -0.015 -2.759) 3.567 3.614 ( -13.011 -8.464 5.081) 16.333 3.774 ( 14.195 -2.701 -13.399) 19.706 4.626 ( 8.887 5.485 2.053) 10.644 5.121 ( 6.486 3.541 -2.199) 7.710 5.425 ( -5.737 -0.847 13.819) 14.986 5.695 ( -8.529 -5.169 5.657) 11.465 5.984 ( -10.375 -5.594 21.790) 24.774 6.328 ( -5.752 -1.887 10.405) 12.038 6.526 ( 3.906 -4.388 13.703) 14.909 6.651 ( 2.910 -4.381 4.884) 7.177 6.811 ( -7.449 -0.112 1.028) 7.521 7.789 ( 5.225 2.771 -3.507) 6.876 8.749 ( -16.464 -12.455 13.530) 24.682 9.097 ( -3.838 -2.233 7.367) 8.602 9.613 ( 4.381 -2.441 8.619) 9.972 10.499 ( 0.729 9.323 5.491) 10.844 10.976 ( -3.382 12.738 -14.839) 19.847 11.529 ( -11.429 8.451 -6.608) 15.675 11.957 ( 9.332 -0.149 -6.741) 11.513 12.412 ( 5.606 13.759 -6.113) 16.066 12.923 ( -6.159 -10.588 2.532) 12.508 13.422 ( -12.810 1.077 1.836) 12.986 13.901 ( -2.126 -6.734 -14.188) 15.848 14.091 ( 15.082 0.521 8.009) 17.084 18.162 ( -3.700 0.073 -0.219) 3.707 18.318 ( 7.070 -4.738 2.275) 8.809 19.369 ( -0.050 -3.527 -8.449) 9.156 19.843 ( 2.233 0.294 -3.309) 4.002 21.361 ( -10.287 4.016 -6.517) 12.823 22.616 ( 25.045 4.605 4.873) 25.927 23.575 ( -7.109 3.095 -5.146) 9.306 23.814 ( -3.224 -2.897 -0.340) 4.348 ======================= Grid point 442 (218/432) ======================= q-point: (-0.18 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -12.243 -0.741 6.911) 14.078 2.972 ( -3.933 -0.948 2.635) 4.828 3.151 ( 12.038 3.117 4.078) 13.087 3.269 ( 5.622 0.403 -4.904) 7.471 3.623 ( -6.149 -4.069 7.130) 10.256 3.787 ( 11.881 -2.683 -16.868) 20.806 4.692 ( 7.715 5.224 -2.331) 9.604 5.092 ( 1.575 6.947 -2.528) 7.559 5.472 ( -8.340 3.785 10.488) 13.924 5.650 ( -11.788 -4.199 4.722) 13.375 6.057 ( -11.864 -2.653 10.998) 16.394 6.256 ( -11.597 2.146 -4.335) 12.565 6.600 ( -7.325 -11.393 7.116) 15.300 6.760 ( 4.930 -2.347 3.275) 6.367 7.144 ( 5.388 -5.422 33.261) 34.129 7.801 ( 6.903 0.648 -5.156) 8.640 8.814 ( -15.853 -13.889 14.320) 25.481 9.182 ( -1.501 -6.719 6.839) 9.704 9.669 ( -5.285 7.488 3.573) 9.838 10.461 ( 0.671 7.656 0.408) 7.696 10.720 ( -3.124 -1.392 -13.437) 13.866 11.247 ( -7.846 15.342 -1.243) 17.277 12.032 ( 12.793 0.559 -5.854) 14.080 12.352 ( 9.204 10.979 -1.800) 14.439 12.936 ( -8.786 -12.476 0.889) 15.285 13.325 ( -5.576 2.085 3.787) 7.056 13.763 ( -4.640 -6.132 -11.497) 13.832 14.357 ( 14.932 4.100 7.106) 17.038 18.063 ( -6.714 1.884 -5.370) 8.802 18.456 ( 6.938 -3.977 0.917) 8.049 19.336 ( 4.343 2.340 -3.627) 6.123 19.784 ( -7.337 3.908 0.413) 8.324 21.163 ( -3.197 -4.589 -11.217) 12.534 22.910 ( 19.208 9.832 6.243) 22.463 23.434 ( -1.894 2.050 -5.135) 5.845 23.828 ( -1.179 -5.073 2.221) 5.662 ======================= Grid point 443 (219/432) ======================= q-point: (-0.09 -0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -15.680 -7.317 7.753) 18.961 2.921 ( -10.366 -6.525 0.895) 12.281 3.194 ( 2.481 2.721 -1.502) 3.977 3.383 ( 9.905 2.399 -0.797) 10.222 3.604 ( 0.662 6.076 -3.646) 7.117 3.805 ( 7.027 -5.003 -5.234) 10.090 4.688 ( 7.808 7.048 -5.944) 12.082 5.007 ( -3.939 3.598 -2.615) 5.941 5.375 ( -11.378 8.730 6.205) 15.626 5.585 ( -11.151 -1.554 4.154) 12.000 5.993 ( -12.687 0.454 3.008) 13.047 6.032 ( -11.439 0.196 -1.094) 11.492 6.720 ( -4.433 -10.651 6.291) 13.141 6.853 ( 0.421 -2.304 5.303) 5.797 7.610 ( -0.397 -3.484 32.668) 32.855 7.838 ( 10.233 -1.657 -9.072) 13.775 8.867 ( -18.659 -10.306 13.974) 25.488 9.314 ( -0.461 -8.643 5.816) 10.428 9.482 ( -7.726 12.774 -0.182) 14.930 10.328 ( -9.471 2.174 -9.558) 13.630 10.664 ( 3.435 -11.391 -4.883) 12.861 11.104 ( 3.640 14.212 4.512) 15.349 12.116 ( 11.643 0.074 -7.425) 13.809 12.444 ( 11.293 5.430 6.290) 14.021 12.953 ( -6.097 -11.367 2.031) 13.057 13.300 ( -1.417 4.299 3.293) 5.597 13.619 ( -6.603 -3.717 -7.988) 11.010 14.565 ( 14.848 7.606 3.690) 17.086 17.825 ( -9.025 1.574 -14.714) 17.332 18.607 ( 8.539 -0.438 5.066) 9.939 19.341 ( 5.416 7.787 -0.532) 9.500 19.610 ( -12.819 6.081 2.407) 14.391 21.102 ( 3.952 -12.405 -13.952) 19.083 23.062 ( 4.770 14.578 8.655) 17.612 23.395 ( 8.402 -1.508 -6.792) 10.908 23.921 ( 1.283 -4.957 6.441) 8.229 ======================= Grid point 450 (220/432) ======================= q-point: (-0.45 0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 10.673 0.000 8.077) 13.385 2.778 ( -10.294 -0.000 -0.189) 10.296 2.988 ( 3.538 0.000 0.020) 3.538 3.176 ( 5.571 0.000 6.046) 8.221 3.646 ( -15.995 -0.000 5.052) 16.774 3.650 ( 15.681 0.000 -8.862) 18.012 4.619 ( 9.009 0.000 -1.967) 9.221 4.962 ( 8.617 0.000 8.911) 12.396 5.255 ( -4.386 -0.000 18.569) 19.080 5.507 ( -1.431 -0.000 14.627) 14.697 5.807 ( -9.582 -0.000 21.865) 23.873 6.219 ( 0.656 0.000 7.666) 7.694 6.274 ( 1.448 0.000 16.130) 16.195 6.511 ( 1.742 0.000 1.138) 2.081 7.065 ( -11.391 -0.000 -11.213) 15.984 7.810 ( 11.196 0.000 -7.805) 13.648 8.650 ( -23.585 -0.000 16.838) 28.979 9.088 ( -6.678 -0.000 6.748) 9.493 9.334 ( 8.590 0.000 11.514) 14.366 10.493 ( 4.060 0.000 10.785) 11.524 11.506 ( -7.019 -0.000 -23.559) 24.582 11.795 ( 4.835 0.000 -10.241) 11.325 11.991 ( -5.646 -0.000 -1.604) 5.869 12.576 ( 2.853 0.000 -4.037) 4.943 12.831 ( -6.596 -0.000 8.032) 10.394 13.647 ( -18.914 -0.000 -1.364) 18.963 13.766 ( 17.379 0.000 3.824) 17.795 13.977 ( 1.715 0.000 -13.311) 13.421 18.036 ( 7.255 0.000 13.562) 15.381 18.236 ( 1.433 0.000 -10.256) 10.356 19.454 ( -5.058 -0.000 -12.934) 13.888 19.840 ( 4.944 0.000 -5.095) 7.100 21.661 ( -11.611 -0.000 -3.046) 12.004 22.226 ( 30.284 0.000 6.553) 30.985 23.792 ( -8.305 -0.000 -6.631) 10.627 23.863 ( -8.052 -0.000 -0.318) 8.059 ======================= Grid point 452 (221/432) ======================= q-point: (-0.36 0.55 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -13.591 4.389 1.607) 14.373 2.827 ( 14.219 -0.735 8.596) 16.631 3.041 ( 5.919 0.227 -1.646) 6.147 3.317 ( 6.200 2.513 3.810) 7.699 3.484 ( -16.049 -5.527 3.027) 17.242 3.743 ( 15.955 -1.075 -12.609) 20.364 4.686 ( 7.426 1.690 -2.237) 7.938 5.136 ( 6.713 -0.627 1.720) 6.958 5.412 ( -4.148 -0.512 16.198) 16.729 5.603 ( -4.714 -3.574 5.094) 7.807 5.947 ( -11.886 -0.270 25.301) 27.955 6.299 ( -4.117 -1.197 7.845) 8.940 6.502 ( 1.835 0.765 14.198) 14.337 6.583 ( 4.498 -3.256 3.447) 6.536 6.817 ( -7.325 0.407 -2.562) 7.771 7.847 ( 9.842 2.827 -7.569) 12.734 8.580 ( -23.166 -6.194 19.295) 30.779 9.077 ( -5.721 -0.452 5.901) 8.231 9.583 ( 7.318 -1.012 11.335) 13.530 10.607 ( -0.258 3.309 5.990) 6.848 11.099 ( -10.324 2.813 -23.177) 25.528 11.730 ( 2.313 12.272 -4.327) 13.217 11.925 ( 2.597 -4.075 -4.958) 6.923 12.552 ( 4.818 1.868 -7.662) 9.242 12.809 ( -9.250 -1.705 4.691) 10.511 13.426 ( -14.584 -0.107 2.612) 14.817 13.763 ( 1.070 -5.939 -17.489) 18.501 14.133 ( 13.457 1.928 12.182) 18.254 18.184 ( -0.535 2.286 3.084) 3.876 18.245 ( 4.784 -3.795 2.274) 6.516 19.321 ( 2.304 -1.704 -7.316) 7.857 19.843 ( 3.944 -0.119 -4.629) 6.082 21.423 ( -10.994 2.378 -10.253) 15.220 22.670 ( 27.300 1.682 6.452) 28.102 23.614 ( -7.000 1.414 -5.483) 9.004 23.772 ( -6.239 -1.659 -0.051) 6.456 ======================= Grid point 453 (222/432) ======================= q-point: (-0.27 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -17.742 0.820 5.135) 18.489 2.947 ( -8.660 -1.840 0.274) 8.857 3.203 ( 19.377 2.024 3.520) 19.798 3.292 ( -2.090 2.479 -0.801) 3.340 3.540 ( 3.754 -3.992 7.448) 9.247 3.767 ( 12.040 -0.600 -16.880) 20.743 4.738 ( 6.023 0.811 -2.669) 6.638 5.170 ( 1.226 2.044 -3.582) 4.302 5.513 ( -5.018 0.800 11.859) 12.902 5.571 ( -10.352 -3.692 2.571) 11.287 6.038 ( -12.182 0.603 16.628) 20.622 6.289 ( -9.931 1.416 0.712) 10.057 6.449 ( -9.771 -6.293 0.344) 11.628 6.715 ( 7.891 -2.616 2.182) 8.595 7.075 ( 8.482 -2.709 29.072) 30.405 7.849 ( 8.005 4.142 -6.588) 11.164 8.590 ( -21.511 -11.364 19.517) 31.189 9.097 ( -3.772 -3.466 5.792) 7.732 9.756 ( 1.113 3.166 8.380) 9.027 10.578 ( -2.150 5.863 -2.002) 6.557 10.694 ( -10.151 -1.538 -19.287) 21.849 11.552 ( -3.460 19.119 0.119) 19.430 12.013 ( 11.740 -3.536 -5.010) 13.245 12.512 ( 6.891 6.587 -4.914) 10.725 12.748 ( -10.802 -8.403 2.076) 13.842 13.341 ( -6.286 0.351 5.340) 8.255 13.633 ( -3.494 -8.011 -12.402) 15.172 14.424 ( 14.414 3.268 10.104) 17.904 18.103 ( -6.931 2.550 -5.768) 9.371 18.391 ( 6.992 -3.474 5.178) 9.369 19.359 ( 7.811 0.735 -0.201) 7.848 19.824 ( -1.760 1.016 -1.811) 2.722 21.135 ( -6.087 0.331 -16.357) 17.456 23.042 ( 23.696 5.648 5.341) 24.938 23.471 ( -4.733 2.454 -3.146) 6.191 23.740 ( -4.381 -5.078 2.353) 7.107 ======================= Grid point 454 (223/432) ======================= q-point: (-0.18 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -19.994 -3.278 8.915) 22.135 2.791 ( -17.946 -8.556 -0.961) 19.904 3.270 ( 3.519 5.281 -0.369) 6.357 3.435 ( 13.063 4.368 1.871) 13.901 3.667 ( 2.615 1.100 -12.559) 12.875 3.733 ( 9.093 -2.878 2.479) 9.855 4.755 ( 4.956 1.609 -5.024) 7.238 5.064 ( -5.878 2.428 -6.112) 8.821 5.477 ( -8.655 2.243 5.315) 10.401 5.556 ( -7.115 -1.076 6.490) 9.690 6.005 ( -12.318 1.690 6.419) 13.992 6.062 ( -12.100 3.438 -2.464) 12.818 6.520 ( -4.790 -11.555 8.882) 15.341 6.836 ( 4.870 -1.034 0.916) 5.062 7.550 ( 5.761 -3.460 29.559) 30.313 7.848 ( 9.729 2.604 -8.369) 13.095 8.643 ( -21.475 -13.951 18.842) 31.794 9.174 ( -1.168 -7.372 5.308) 9.159 9.715 ( -7.170 12.589 3.652) 14.940 10.285 ( -12.584 -4.881 -18.901) 23.225 10.616 ( 5.522 2.594 0.152) 6.103 11.369 ( -2.375 16.455 2.065) 16.753 12.110 ( 10.676 -1.097 -7.832) 13.285 12.530 ( 2.418 4.720 5.803) 7.862 12.766 ( -0.463 -10.203 1.192) 10.282 13.349 ( -1.057 1.779 4.808) 5.235 13.519 ( -6.208 -7.501 -7.654) 12.385 14.677 ( 14.954 5.412 6.757) 17.279 17.852 ( -9.419 1.422 -15.353) 18.068 18.597 ( 9.360 -0.642 8.770) 12.843 19.459 ( 8.863 5.962 1.891) 10.847 19.707 ( -11.718 4.942 0.945) 12.753 20.936 ( 3.193 -7.238 -18.648) 20.257 23.288 ( 13.114 10.595 5.652) 17.781 23.374 ( 0.585 0.880 -5.752) 5.848 23.824 ( 0.117 -6.761 9.223) 11.436 ======================= Grid point 455 (224/432) ======================= q-point: (-0.09 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -21.648 -6.727 10.829) 25.123 2.640 ( -18.396 -13.132 -0.530) 22.609 3.265 ( 2.248 5.062 -0.629) 5.574 3.445 ( -1.792 3.811 -4.934) 6.487 3.580 ( 4.627 1.981 -5.403) 7.384 3.886 ( 3.961 0.633 4.696) 6.176 4.730 ( 2.193 1.050 -5.799) 6.288 4.857 ( -9.436 2.432 -6.714) 11.833 5.407 ( -5.863 7.937 3.900) 10.611 5.529 ( -3.533 2.578 4.298) 6.132 5.838 ( -12.424 0.149 0.159) 12.426 5.939 ( -9.151 3.001 3.964) 10.415 6.645 ( -3.913 -9.174 4.469) 10.929 6.893 ( -0.014 -1.443 3.834) 4.097 7.861 ( 12.076 1.318 -10.707) 16.193 7.901 ( -3.824 -1.095 22.979) 23.321 8.679 ( -20.384 -12.257 14.652) 27.936 9.305 ( 1.411 -9.016 4.480) 10.166 9.514 ( -7.479 15.209 1.946) 17.060 10.002 ( -10.191 -7.770 -12.176) 17.677 10.681 ( 5.123 1.841 0.146) 5.445 11.297 ( 2.844 7.589 3.436) 8.802 12.139 ( 8.527 -1.587 -9.861) 13.132 12.618 ( -5.865 -3.524 13.644) 15.263 12.902 ( 9.431 -4.563 -1.910) 10.649 13.378 ( 1.820 4.272 3.612) 5.883 13.436 ( -5.951 -5.593 -0.983) 8.226 14.867 ( 15.639 8.952 1.737) 18.103 17.515 ( -9.629 0.657 -18.312) 20.699 18.838 ( 11.306 1.630 10.096) 15.245 19.418 ( -11.551 9.077 1.219) 14.741 19.599 ( 6.035 5.211 0.900) 8.024 20.891 ( 7.114 -12.019 -17.032) 22.026 23.230 ( -7.575 13.059 4.146) 15.656 23.449 ( 13.154 -3.038 -6.339) 14.915 24.044 ( 4.540 -2.555 15.053) 15.929 ======================= Grid point 463 (225/432) ======================= q-point: (-0.36 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -20.016 -0.000 4.860) 20.598 2.926 ( -11.614 -0.000 -0.814) 11.642 3.215 ( 20.274 0.000 0.508) 20.281 3.324 ( -3.657 -0.000 5.103) 6.278 3.507 ( 9.833 0.000 4.801) 10.942 3.761 ( 11.739 0.000 -15.936) 19.793 4.740 ( 5.248 0.000 -2.497) 5.812 5.177 ( 0.484 0.000 -3.161) 3.198 5.516 ( -4.799 -0.000 11.011) 12.011 5.543 ( -7.933 -0.000 2.309) 8.262 6.052 ( -11.635 -0.000 19.171) 22.425 6.298 ( -7.086 -0.000 7.278) 10.158 6.397 ( -13.421 -0.000 -7.475) 15.362 6.690 ( 8.944 0.000 1.740) 9.112 7.053 ( 9.316 0.000 27.135) 28.690 7.895 ( 9.900 0.000 -8.891) 13.307 8.484 ( -25.447 -0.000 23.686) 34.765 9.067 ( -4.784 -0.000 5.276) 7.121 9.781 ( 3.454 0.000 10.073) 10.649 10.640 ( -0.950 -0.000 0.985) 1.368 10.670 ( -13.514 -0.000 -24.108) 27.637 11.785 ( -6.849 -0.000 -3.172) 7.548 11.926 ( 14.800 0.000 -2.115) 14.950 12.546 ( 7.493 0.000 -6.792) 10.113 12.695 ( -12.947 -0.000 3.569) 13.430 13.345 ( -6.187 -0.000 6.176) 8.742 13.553 ( -2.672 -0.000 -12.834) 13.110 14.453 ( 13.858 0.000 10.845) 17.598 18.129 ( -7.774 -0.000 -7.237) 10.621 18.357 ( 7.735 0.000 7.945) 11.088 19.365 ( 9.211 0.000 1.464) 9.326 19.830 ( 0.219 0.000 -2.777) 2.786 21.143 ( -6.952 -0.000 -18.583) 19.841 23.090 ( 25.860 0.000 3.933) 26.157 23.500 ( -5.602 -0.000 0.033) 5.603 23.687 ( -6.354 -0.000 1.200) 6.466 ======================= Grid point 464 (226/432) ======================= q-point: (-0.27 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -22.044 -0.187 10.304) 24.334 2.667 ( -23.502 -4.886 -2.673) 24.152 3.334 ( 6.053 1.916 0.399) 6.362 3.529 ( 16.039 5.406 4.406) 17.490 3.655 ( 6.740 -1.293 -20.281) 21.410 3.701 ( 4.821 -1.752 7.473) 9.064 4.769 ( 4.054 0.446 -3.293) 5.242 5.069 ( -8.065 -1.046 -7.250) 10.895 5.487 ( -5.649 0.479 5.243) 7.722 5.543 ( -5.851 -0.847 5.927) 8.371 6.035 ( -12.746 1.123 2.634) 13.064 6.149 ( -10.672 6.127 2.561) 12.570 6.351 ( -5.471 -8.084 8.992) 13.271 6.816 ( 8.408 -0.947 -1.104) 8.533 7.505 ( 9.340 -1.608 26.408) 28.057 7.902 ( 8.676 2.618 -8.441) 12.384 8.460 ( -25.836 -6.480 24.648) 36.291 9.085 ( -3.206 -2.891 4.992) 6.599 9.865 ( -3.452 4.775 6.784) 8.986 10.226 ( -13.216 -1.804 -22.700) 26.329 10.662 ( 5.408 1.850 0.347) 5.726 11.604 ( -8.356 9.368 -1.188) 12.609 12.075 ( 11.263 -2.450 -6.842) 13.404 12.592 ( -8.080 2.258 7.975) 11.575 12.640 ( 8.634 -4.080 -0.244) 9.553 13.368 ( -1.334 0.809 3.938) 4.236 13.405 ( -4.662 -4.825 -6.323) 9.219 14.739 ( 14.467 1.901 8.268) 16.772 17.869 ( -9.760 0.568 -16.149) 18.878 18.589 ( 9.705 -0.271 11.333) 14.923 19.531 ( 9.916 2.419 5.365) 11.531 19.761 ( -8.364 1.495 -0.394) 8.505 20.860 ( 1.712 -2.062 -23.559) 23.711 23.324 ( 15.221 -0.653 -13.150) 20.125 23.521 ( -0.617 11.032 13.174) 17.194 23.693 ( -1.224 -8.895 10.169) 13.566 ======================= Grid point 465 (227/432) ======================= q-point: (-0.18 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -23.746 -0.591 13.430) 27.287 2.411 ( -23.625 -13.029 0.317) 26.982 3.348 ( -1.592 4.519 -6.947) 8.439 3.473 ( -1.381 -1.153 -6.432) 6.679 3.655 ( 7.613 7.770 1.475) 10.977 3.883 ( 4.763 -1.927 5.270) 7.360 4.743 ( -0.417 1.571 -5.047) 5.302 4.870 ( -8.306 -1.642 -7.162) 11.090 5.493 ( -3.000 3.349 4.364) 6.265 5.550 ( -1.426 -0.160 5.812) 5.987 5.838 ( -13.079 -0.059 -1.200) 13.134 6.034 ( -7.927 7.402 3.899) 11.525 6.476 ( -2.955 -9.649 7.843) 12.781 6.887 ( 4.886 -0.090 -2.039) 5.295 7.870 ( 2.049 -2.323 18.827) 19.080 7.898 ( 9.976 2.610 -8.854) 13.592 8.476 ( -24.450 -9.910 22.403) 34.611 9.156 ( -0.169 -7.473 4.117) 8.533 9.760 ( -8.100 11.285 -0.101) 13.891 9.888 ( -8.295 -3.912 -13.009) 15.917 10.746 ( 8.371 3.664 0.790) 9.172 11.430 ( -6.383 6.937 0.875) 9.468 12.111 ( 8.270 -1.787 -10.407) 13.413 12.587 ( -10.636 1.002 15.190) 18.570 12.841 ( 13.804 -3.422 -0.195) 14.224 13.311 ( -6.586 -7.782 -1.409) 10.292 13.433 ( 2.410 2.100 3.943) 5.076 14.981 ( 15.648 4.593 4.220) 16.846 17.525 ( -9.842 0.428 -19.453) 21.805 18.857 ( 11.452 0.737 11.251) 16.071 19.551 ( -15.974 5.781 -0.678) 17.001 19.686 ( 8.475 4.985 4.143) 10.670 20.719 ( 9.373 -8.000 -21.179) 24.504 23.333 ( 6.416 -0.726 -8.666) 10.807 23.494 ( -2.234 7.951 3.858) 9.116 23.996 ( 7.450 -3.037 19.203) 20.820 ======================= Grid point 466 (228/432) ======================= q-point: (-0.09 -0.36 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -25.305 -5.082 13.163) 28.973 2.259 ( -22.002 -13.853 0.875) 26.015 3.107 ( -16.415 -5.948 -5.160) 18.206 3.504 ( 4.239 4.590 4.554) 7.732 3.651 ( 1.424 8.717 0.359) 8.840 3.932 ( -5.141 1.034 2.846) 5.967 4.631 ( -5.098 0.985 -2.756) 5.878 4.753 ( -1.152 1.221 -5.189) 5.454 5.462 ( 1.452 7.204 1.853) 7.579 5.597 ( -0.491 3.151 2.208) 3.878 5.716 ( -7.848 1.155 3.670) 8.740 5.891 ( -8.604 4.210 0.791) 9.612 6.571 ( -2.674 -5.977 1.325) 6.680 6.922 ( -0.501 -0.628 3.821) 3.905 7.909 ( 10.921 2.636 -9.006) 14.399 8.003 ( -9.962 -1.259 10.877) 14.803 8.493 ( -17.653 -10.275 12.853) 24.133 9.304 ( 4.493 -10.195 2.885) 11.509 9.563 ( -6.555 10.272 1.556) 12.284 9.755 ( -3.221 -4.820 -3.970) 7.026 10.785 ( 3.361 9.042 -0.109) 9.647 11.368 ( -1.104 -0.706 2.001) 2.392 12.102 ( 6.741 -1.667 -10.287) 12.411 12.626 ( -11.882 -1.882 15.079) 19.290 12.955 ( 5.392 0.111 -6.076) 8.124 13.375 ( 1.348 -9.061 5.953) 10.926 13.496 ( 4.432 2.312 3.452) 6.075 15.151 ( 16.263 8.833 -1.716) 18.586 17.208 ( -8.191 -0.575 -12.586) 15.028 19.104 ( 9.113 2.142 4.116) 10.227 19.297 ( -11.240 2.427 2.832) 11.843 19.785 ( 9.367 6.881 1.560) 11.727 20.706 ( 8.342 -9.854 -16.206) 20.720 23.255 ( -5.732 11.018 -0.041) 12.420 23.494 ( 6.127 -2.659 -3.154) 7.386 24.319 ( 6.501 1.233 18.641) 19.781 ======================= Grid point 475 (229/432) ======================= q-point: (-0.27 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -22.614 -0.000 16.520) 28.005 2.274 ( -27.726 -0.000 -1.672) 27.776 3.400 ( -9.494 -0.000 -17.427) 19.845 3.445 ( 6.583 0.000 2.064) 6.899 3.778 ( 10.297 0.000 1.817) 10.456 3.820 ( 2.345 0.000 6.457) 6.869 4.776 ( 2.582 0.000 -4.063) 4.814 4.831 ( -11.907 -0.000 -7.115) 13.871 5.527 ( -2.691 -0.000 3.303) 4.260 5.540 ( 0.696 0.000 7.551) 7.583 5.838 ( -13.629 -0.000 -1.939) 13.766 6.121 ( -7.839 -0.000 2.202) 8.142 6.374 ( -2.587 -0.000 10.014) 10.343 6.885 ( 7.845 0.000 -4.397) 8.993 7.845 ( 3.767 0.000 16.589) 17.011 7.925 ( 8.304 0.000 -8.023) 11.547 8.389 ( -26.181 -0.000 26.616) 37.335 9.089 ( -1.732 -0.000 3.981) 4.342 9.821 ( -8.996 -0.000 -19.307) 21.300 9.897 ( -5.734 -0.000 5.450) 7.911 10.778 ( 9.660 0.000 0.398) 9.668 11.491 ( -11.166 -0.000 -0.256) 11.169 12.092 ( 8.638 0.000 -10.407) 13.525 12.623 ( -8.443 -0.000 16.487) 18.523 12.795 ( 11.847 0.000 1.708) 11.969 13.234 ( -6.437 -0.000 -3.361) 7.261 13.451 ( 2.684 0.000 4.159) 4.950 15.020 ( 15.569 0.000 5.107) 16.386 17.529 ( -9.906 -0.000 -19.866) 22.199 18.863 ( 11.339 0.000 11.749) 16.329 19.598 ( -16.120 -0.000 -1.919) 16.234 19.736 ( 7.935 0.000 7.005) 10.584 20.647 ( 10.443 0.000 -24.179) 26.338 23.319 ( 10.001 0.000 -11.305) 15.094 23.576 ( -7.771 -0.000 4.737) 9.100 23.963 ( 10.088 0.000 21.779) 24.002 ======================= Grid point 476 (230/432) ======================= q-point: (-0.18 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -27.455 1.554 7.450) 28.490 2.046 ( -23.421 -9.865 10.954) 27.674 3.041 ( -22.227 -1.927 -7.167) 23.433 3.548 ( 5.419 1.137 2.782) 6.197 3.805 ( 0.433 8.551 2.330) 8.873 3.915 ( -3.526 -3.523 3.606) 6.152 4.656 ( -3.838 1.663 -1.635) 4.491 4.744 ( -1.238 -1.511 -4.856) 5.234 5.552 ( 3.591 3.220 1.873) 5.175 5.623 ( -2.081 0.515 2.131) 3.022 5.714 ( -5.489 -0.690 7.356) 9.204 5.977 ( -8.899 3.999 -4.773) 10.861 6.471 ( -0.973 -4.239 5.588) 7.081 6.929 ( 6.112 0.686 -2.541) 6.655 7.947 ( 8.823 1.411 -6.378) 10.978 7.955 ( -9.697 -2.883 9.345) 13.772 8.374 ( -19.653 -3.342 17.792) 26.720 9.156 ( 3.662 -5.493 2.682) 7.125 9.577 ( -3.051 -1.973 -10.416) 11.032 9.845 ( -6.306 6.658 4.089) 10.041 10.894 ( 9.225 3.241 -0.527) 9.792 11.360 ( -9.515 -0.424 1.714) 9.677 12.083 ( 8.123 -0.676 -9.871) 12.802 12.691 ( -8.385 7.925 16.666) 20.270 12.935 ( 6.318 -3.179 -3.392) 7.845 13.192 ( -4.154 -8.960 5.067) 11.100 13.530 ( 4.380 1.182 2.276) 5.076 15.250 ( 16.485 2.995 0.300) 16.757 17.201 ( -8.485 -0.207 -13.388) 15.852 19.126 ( 11.010 0.567 4.521) 11.916 19.332 ( -16.031 1.289 -0.702) 16.098 19.882 ( 5.813 3.739 5.408) 8.776 20.576 ( 12.415 -4.707 -18.776) 22.996 23.337 ( 9.788 0.449 -8.488) 12.964 23.517 ( -7.738 3.113 5.553) 10.020 24.332 ( 8.651 0.360 19.943) 21.742 ======================= Grid point 477 (231/432) ======================= q-point: (-0.09 -0.27 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -25.471 -7.967 11.158) 28.927 1.854 ( -28.639 -6.940 -1.390) 29.500 2.809 ( -24.758 -8.701 16.285) 30.885 3.604 ( 0.305 2.708 0.702) 2.814 3.761 ( 0.036 7.708 4.499) 8.925 3.864 ( -8.694 1.122 1.103) 8.835 4.586 ( -4.307 4.558 -3.251) 7.064 4.741 ( 4.464 -0.725 4.182) 6.159 5.548 ( -3.524 2.929 -2.661) 5.299 5.613 ( 4.607 4.802 0.188) 6.657 5.690 ( -6.084 5.228 -4.834) 9.366 5.850 ( -3.234 -1.402 8.952) 9.621 6.515 ( 0.247 -1.944 -1.843) 2.690 6.969 ( -0.661 2.935 4.281) 5.232 7.901 ( -14.196 -2.560 7.056) 16.058 8.002 ( 7.786 2.785 -1.862) 8.476 8.329 ( -10.606 -8.137 2.203) 13.548 9.329 ( 7.622 -8.697 2.029) 11.741 9.520 ( -0.372 -5.462 -2.276) 5.929 9.744 ( -4.786 7.896 4.081) 10.094 10.897 ( 0.237 12.736 -1.656) 12.845 11.314 ( -3.947 -7.502 0.892) 8.524 12.079 ( 6.894 1.710 -7.893) 10.618 12.625 ( -12.495 6.432 7.411) 15.888 12.930 ( -0.718 0.151 -2.342) 2.454 13.362 ( 2.835 -15.647 0.650) 15.915 13.593 ( 4.476 0.924 0.916) 4.661 15.385 ( 15.517 7.525 -6.010) 18.263 17.097 ( -0.141 0.155 8.523) 8.525 18.995 ( -8.483 -1.522 -10.999) 13.974 19.446 ( 9.258 -0.198 11.084) 14.443 19.957 ( 5.908 4.903 1.586) 7.839 20.573 ( 8.140 -5.896 -14.398) 17.559 23.291 ( -4.268 13.009 0.666) 13.707 23.508 ( 4.281 -3.331 -1.344) 5.589 24.604 ( 4.608 2.796 12.718) 13.813 ======================= Grid point 487 (232/432) ======================= q-point: (-0.18 -0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -26.469 -0.000 7.266) 27.448 1.794 ( -29.245 -0.000 2.804) 29.380 2.736 ( -28.235 -0.000 18.478) 33.744 3.627 ( 1.719 0.000 0.356) 1.755 3.850 ( -9.615 -0.000 4.529) 10.629 3.853 ( -0.845 -0.000 1.044) 1.343 4.638 ( -4.633 -0.000 -5.351) 7.078 4.722 ( 6.245 0.000 7.567) 9.811 5.567 ( -4.745 -0.000 -1.156) 4.883 5.661 ( 7.485 0.000 -0.430) 7.497 5.738 ( -6.852 -0.000 -8.364) 10.812 5.838 ( -3.859 -0.000 9.331) 10.097 6.492 ( 1.501 0.000 0.054) 1.502 7.007 ( 6.656 0.000 0.201) 6.659 7.857 ( -19.030 -0.000 12.573) 22.809 8.029 ( 10.941 0.000 -3.041) 11.355 8.261 ( -13.838 -0.000 1.838) 13.960 9.239 ( 8.599 0.000 1.961) 8.820 9.470 ( -0.465 -0.000 -4.273) 4.298 9.835 ( -6.316 -0.000 3.615) 7.278 11.012 ( 8.728 0.000 -2.597) 9.106 11.237 ( -12.535 -0.000 2.112) 12.712 12.098 ( 9.362 0.000 -7.024) 11.704 12.794 ( -8.682 -0.000 6.220) 10.680 12.881 ( -1.399 -0.000 -5.733) 5.901 13.159 ( -3.085 -0.000 5.204) 6.050 13.608 ( 4.577 0.000 -0.064) 4.577 15.449 ( 15.730 0.000 -5.209) 16.570 17.099 ( 0.599 0.000 10.053) 10.071 18.982 ( -10.546 -0.000 -13.111) 16.826 19.445 ( 9.117 0.000 11.559) 14.722 20.004 ( 1.992 0.000 3.984) 4.454 20.517 ( 11.537 0.000 -16.108) 19.814 23.397 ( 12.941 0.000 -7.937) 15.181 23.490 ( -10.332 -0.000 8.214) 13.199 24.629 ( 6.370 0.000 11.771) 13.384 ======================= Grid point 488 (233/432) ======================= q-point: (-0.09 -0.18 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -32.878 -3.750 -0.602) 33.097 1.435 ( -22.273 -7.478 14.037) 27.368 2.748 ( -26.272 -3.906 37.551) 45.995 3.583 ( -4.596 2.017 -1.948) 5.384 3.757 ( -8.575 0.327 1.006) 8.640 3.879 ( 3.074 2.905 2.434) 4.880 4.499 ( -5.405 3.025 -4.505) 7.659 4.946 ( 7.791 0.979 12.764) 14.985 5.324 ( -8.859 0.653 -18.369) 20.404 5.676 ( 1.365 3.570 3.402) 5.117 5.718 ( 3.500 -0.568 0.411) 3.570 5.941 ( -1.726 0.256 12.080) 12.205 6.521 ( 5.476 0.412 -2.080) 5.872 7.046 ( 0.020 7.570 1.191) 7.663 7.792 ( -17.576 -2.476 14.945) 23.203 8.046 ( -10.319 -1.281 -7.196) 12.645 8.188 ( 10.737 -4.149 -0.659) 11.529 9.416 ( 9.874 -5.744 1.329) 11.500 9.442 ( -0.278 -2.771 -1.194) 3.030 9.790 ( -3.715 3.267 4.597) 6.753 10.922 ( -13.147 16.245 -4.402) 21.356 11.170 ( -1.223 -13.626 -2.815) 13.968 12.134 ( 8.090 4.315 -5.180) 10.531 12.562 ( -13.361 10.689 -1.280) 17.159 12.840 ( -3.841 -9.084 -5.325) 11.209 13.219 ( -1.913 -10.902 -0.468) 11.078 13.648 ( 3.648 0.374 -1.602) 4.002 15.520 ( 12.591 4.266 -11.700) 17.709 17.495 ( 21.490 4.562 32.836) 39.507 18.737 ( -4.915 -4.889 -12.445) 14.245 19.682 ( 7.394 1.714 9.468) 12.134 20.036 ( 0.950 -0.427 0.109) 1.047 20.483 ( 9.183 -1.655 -14.954) 17.626 23.373 ( -6.467 14.389 4.708) 16.463 23.526 ( 7.579 -5.134 -2.540) 9.500 24.691 ( -4.771 0.992 -4.799) 6.839 ======================= Grid point 499 (234/432) ======================= q-point: (-0.09 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -11.371 -0.000 21.617) 24.425 1.344 ( -16.756 -0.000 20.501) 26.477 2.835 ( -30.011 -0.000 40.763) 50.619 3.496 ( -5.371 -0.000 -2.606) 5.969 3.694 ( -0.858 -0.000 0.515) 1.001 3.946 ( 3.724 0.000 -0.923) 3.837 4.418 ( -3.470 -0.000 -1.230) 3.681 4.970 ( -2.955 -0.000 -15.202) 15.487 5.256 ( 0.453 0.000 17.051) 17.057 5.652 ( -1.029 -0.000 -7.918) 7.985 5.843 ( 6.206 0.000 8.021) 10.142 6.096 ( 1.325 0.000 15.091) 15.149 6.603 ( 8.066 0.000 -0.423) 8.077 7.077 ( -0.060 -0.000 -4.519) 4.520 7.687 ( -13.274 -0.000 -17.880) 22.269 7.764 ( -21.829 -0.000 24.675) 32.945 8.383 ( 10.820 0.000 8.104) 13.519 9.346 ( -1.532 -0.000 -6.162) 6.350 9.613 ( 11.261 0.000 6.402) 12.953 9.814 ( -1.078 -0.000 3.954) 4.098 10.622 ( -30.343 -0.000 -5.632) 30.861 11.094 ( 5.069 0.000 -5.522) 7.496 12.177 ( 4.097 0.000 -7.061) 8.164 12.464 ( -9.493 -0.000 3.894) 10.261 12.645 ( -4.240 -0.000 -5.164) 6.682 13.184 ( -0.125 -0.000 2.289) 2.293 13.660 ( 2.322 0.000 -3.088) 3.864 15.502 ( 7.947 0.000 -17.641) 19.348 18.346 ( 41.371 0.000 29.877) 51.032 18.526 ( -0.853 -0.000 -11.735) 11.766 19.854 ( -1.310 -0.000 7.500) 7.613 19.959 ( -5.003 -0.000 -6.389) 8.114 20.471 ( 16.247 0.000 -12.208) 20.323 23.422 ( -10.458 -0.000 9.231) 13.949 23.574 ( 11.300 0.000 -6.189) 12.884 24.322 ( -28.492 -0.000 -19.785) 34.688 ======================= Grid point 500 (235/432) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -1.184 -0.000 27.989) 28.014 2.249 ( 4.679 0.000 16.058) 16.726 3.202 ( -1.462 -0.000 -6.162) 6.333 3.587 ( -7.346 -0.000 11.434) 13.590 3.685 ( 3.018 0.000 -12.362) 12.725 3.846 ( 6.821 0.000 -3.272) 7.565 4.401 ( 4.814 0.000 -10.654) 11.691 4.430 ( -3.871 -0.000 -1.935) 4.328 5.516 ( 0.674 0.000 8.735) 8.760 5.876 ( -11.273 -0.000 16.547) 20.022 6.293 ( 2.570 0.000 1.230) 2.849 6.655 ( -5.979 -0.000 -5.535) 8.147 6.829 ( 4.709 0.000 0.424) 4.728 6.943 ( -7.180 -0.000 24.683) 25.707 7.175 ( -0.535 -0.000 6.871) 6.892 8.598 ( -16.968 -0.000 31.666) 35.926 9.065 ( 0.256 0.000 7.381) 7.385 9.226 ( 7.169 0.000 3.770) 8.100 9.675 ( -15.470 -0.000 8.500) 17.651 9.793 ( 0.267 0.000 -6.098) 6.103 10.725 ( 15.895 0.000 13.775) 21.033 10.787 ( 1.907 0.000 -13.541) 13.675 11.623 ( 1.928 0.000 -15.168) 15.290 12.302 ( -8.508 -0.000 -8.815) 12.251 12.857 ( -1.716 -0.000 10.953) 11.087 13.322 ( 11.373 0.000 -3.132) 11.796 13.530 ( -1.673 -0.000 -0.920) 1.909 14.673 ( -0.178 -0.000 -18.951) 18.952 18.213 ( 10.917 0.000 -9.387) 14.398 18.970 ( -15.801 -0.000 -20.577) 25.943 19.555 ( -17.711 -0.000 1.507) 17.775 19.681 ( 16.564 0.000 1.358) 16.620 21.157 ( 28.942 0.000 9.524) 30.468 22.676 ( -32.561 -0.000 -10.195) 34.120 23.448 ( -9.680 -0.000 3.477) 10.285 23.693 ( 10.652 0.000 -4.736) 11.657 ======================= Grid point 501 (236/432) ======================= q-point: ( 0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 5.132 1.442 14.409) 15.363 2.582 ( 2.831 -2.754 25.113) 25.422 3.124 ( 1.458 1.382 -6.685) 6.980 3.553 ( -3.596 0.863 -6.403) 7.394 3.556 ( -0.726 2.070 -8.017) 8.311 3.872 ( 4.475 -3.108 -7.771) 9.491 4.301 ( -1.216 4.495 -2.438) 5.256 4.467 ( 3.769 -9.901 -2.543) 10.895 5.642 ( -0.440 1.398 11.575) 11.668 5.905 ( -12.563 -0.936 14.205) 18.986 6.287 ( -3.464 0.002 -0.266) 3.474 6.503 ( -9.330 -0.532 -3.115) 9.850 6.881 ( 3.185 3.206 0.695) 4.572 6.979 ( -6.887 -0.878 4.423) 8.232 7.420 ( 0.436 3.668 32.121) 32.333 8.625 ( -16.296 19.027 18.851) 31.352 9.051 ( -8.702 -7.221 4.379) 12.126 9.398 ( -0.346 -11.364 -0.971) 11.411 9.694 ( 0.120 6.132 10.041) 11.766 9.800 ( 4.167 -6.317 8.192) 11.152 10.593 ( 2.239 8.841 -10.438) 13.861 11.180 ( 16.930 -12.135 10.876) 23.498 11.499 ( 4.820 -0.030 -15.501) 16.233 12.066 ( -3.684 5.456 -11.413) 13.176 12.961 ( -2.692 -7.339 6.241) 10.003 13.437 ( 10.705 -1.130 -3.800) 11.416 13.508 ( -2.306 -0.037 1.896) 2.986 14.452 ( -1.722 2.942 -14.445) 14.842 18.266 ( 12.078 0.927 -7.233) 14.108 18.519 ( -14.664 2.396 -19.087) 24.189 19.371 ( -16.314 -2.020 3.241) 16.755 19.816 ( 3.333 0.279 0.082) 3.345 21.640 ( 23.974 3.178 12.959) 27.437 22.186 ( -19.337 -0.072 -11.958) 22.736 23.379 ( -7.417 -2.922 1.069) 8.043 23.784 ( 9.720 -0.415 -3.109) 10.213 ======================= Grid point 502 (237/432) ======================= q-point: ( 0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 3.351 4.041 12.917) 13.943 2.920 ( 6.614 -2.199 18.174) 19.465 3.057 ( 1.985 1.763 -6.216) 6.759 3.391 ( -1.593 6.001 -7.736) 9.919 3.453 ( -1.469 -3.325 -8.426) 9.177 3.835 ( 1.896 -3.390 -10.211) 10.925 4.255 ( -0.005 -4.035 -3.252) 5.182 4.613 ( 5.682 -10.335 1.302) 11.865 5.693 ( -8.758 3.674 9.584) 13.493 5.880 ( -13.022 -1.762 7.951) 15.359 6.219 ( -6.861 -0.434 0.268) 6.880 6.353 ( -11.953 -0.657 0.240) 11.973 6.857 ( -0.707 3.886 0.064) 3.951 7.000 ( 1.285 -1.829 2.463) 3.326 7.771 ( -0.828 6.698 35.213) 35.854 8.322 ( -13.818 24.041 -0.260) 27.731 9.093 ( -17.492 -18.182 9.817) 27.073 9.420 ( -2.148 -2.381 1.916) 3.735 9.682 ( -0.791 7.092 1.460) 7.284 10.159 ( 11.902 -3.470 15.334) 19.718 10.479 ( 1.488 -3.587 -6.403) 7.489 11.309 ( -0.580 6.613 -13.838) 15.347 11.634 ( 19.015 -6.539 8.123) 21.687 11.929 ( 9.840 4.256 -9.524) 14.340 13.048 ( -2.959 -11.668 1.239) 12.101 13.459 ( -4.588 4.682 5.095) 8.302 13.562 ( 6.488 -6.238 -4.936) 10.265 14.268 ( 0.699 3.724 -10.201) 10.882 18.109 ( -11.849 1.335 -15.342) 19.431 18.378 ( 11.236 -0.807 -3.162) 11.700 19.237 ( -11.707 -1.451 2.855) 12.137 19.789 ( -8.028 -0.947 1.261) 8.182 21.653 ( -8.210 13.617 -9.258) 18.399 22.258 ( 19.297 -10.256 8.921) 23.604 23.330 ( -3.583 -2.452 -0.954) 4.445 23.878 ( 8.207 0.135 -1.057) 8.276 ======================= Grid point 503 (238/432) ======================= q-point: (-0.73 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.174 6.969 7.700) 12.081 3.025 ( 1.642 -0.187 -3.489) 3.860 3.178 ( 8.017 -0.054 6.040) 10.038 3.260 ( -0.434 4.307 -3.455) 5.539 3.408 ( 0.451 -4.256 -2.514) 4.964 3.765 ( 1.808 -2.790 -8.832) 9.437 4.298 ( 4.842 -8.606 -4.221) 10.739 4.793 ( 4.614 -11.610 1.440) 12.576 5.565 ( -18.368 3.371 4.886) 19.303 5.778 ( -13.275 -1.332 1.966) 13.486 6.121 ( -9.454 -0.173 0.724) 9.484 6.218 ( -12.850 -0.182 3.887) 13.427 6.830 ( 0.499 2.312 -0.457) 2.409 7.063 ( 2.116 0.536 2.707) 3.477 7.951 ( -7.036 17.693 -7.780) 20.569 8.071 ( -2.587 7.821 30.535) 31.626 9.091 ( -20.763 -17.550 7.462) 28.192 9.450 ( -1.140 3.200 6.653) 7.470 9.607 ( -4.026 5.481 1.198) 6.905 10.241 ( -6.299 -3.968 -7.007) 10.223 10.707 ( 13.320 -7.613 11.728) 19.311 11.076 ( 3.308 16.640 -9.094) 19.249 11.862 ( 15.820 2.566 -9.414) 18.587 12.140 ( 20.191 -4.184 8.290) 22.224 13.105 ( -2.290 -10.682 -1.390) 11.013 13.398 ( -8.376 6.964 7.709) 13.345 13.587 ( -1.594 -5.846 -6.255) 8.709 14.221 ( 9.103 -2.952 -6.956) 11.831 17.795 ( -11.093 -1.209 -13.931) 17.849 18.533 ( 10.077 -0.556 4.885) 11.212 19.169 ( -3.592 -2.247 0.617) 4.281 19.683 ( -14.052 -3.842 2.867) 14.847 21.320 ( -2.468 12.763 -15.502) 20.231 22.698 ( 12.979 -10.180 12.718) 20.829 23.310 ( 2.997 0.444 -2.901) 4.195 23.974 ( 6.520 0.573 2.210) 6.908 ======================= Grid point 504 (239/432) ======================= q-point: (-0.64 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -13.897 6.060 8.169) 17.221 2.953 ( -5.544 0.186 -6.834) 8.802 3.161 ( -0.274 1.027 -2.129) 2.379 3.340 ( 5.614 -1.356 1.487) 5.964 3.454 ( 2.236 0.260 1.176) 2.540 3.771 ( 6.325 -4.637 -3.668) 8.658 4.409 ( 8.163 -8.921 -5.008) 13.088 4.922 ( -0.538 -6.723 -0.384) 6.756 5.328 ( -19.723 -2.950 1.854) 20.028 5.621 ( -13.520 -1.932 0.040) 13.657 5.993 ( -11.088 0.499 0.298) 11.103 6.115 ( -11.571 0.800 6.477) 13.285 6.799 ( -1.374 2.258 -1.712) 3.149 7.094 ( -0.217 3.134 3.400) 4.629 7.704 ( 3.360 9.324 -10.712) 14.594 8.256 ( -5.091 7.514 20.483) 22.404 9.033 ( -19.967 -13.223 6.367) 24.780 9.471 ( -3.892 4.732 7.799) 9.918 9.538 ( -4.584 2.838 3.480) 6.417 10.061 ( -12.663 -8.681 -8.727) 17.660 10.866 ( 8.350 20.434 -3.861) 22.409 11.107 ( 11.787 -1.878 10.336) 15.789 11.915 ( 15.623 1.838 -13.228) 20.554 12.526 ( 18.770 -1.785 7.152) 20.165 13.137 ( -1.870 -2.624 0.583) 3.274 13.328 ( -8.219 2.650 8.940) 12.430 13.503 ( -5.068 -3.207 -4.762) 7.658 14.368 ( 13.530 -11.939 -6.286) 19.108 17.509 ( -11.047 -0.153 -11.684) 16.080 18.756 ( 9.130 -0.735 10.516) 13.945 19.202 ( 3.942 -5.924 -1.851) 7.353 19.571 ( -13.503 -5.003 3.019) 14.713 21.029 ( 2.374 12.750 -16.288) 20.820 22.988 ( -3.962 -14.001 7.391) 16.321 23.359 ( 14.674 7.049 -1.972) 16.398 24.107 ( 5.939 -0.670 7.837) 9.856 ======================= Grid point 505 (240/432) ======================= q-point: (-0.55 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -18.473 6.113 12.080) 22.903 2.708 ( -15.549 3.528 -7.790) 17.745 3.202 ( 5.392 -4.478 -1.240) 7.118 3.397 ( 0.985 0.512 1.625) 1.968 3.489 ( 1.177 -0.534 2.673) 2.970 3.880 ( 4.809 -6.356 -1.178) 8.057 4.516 ( 7.488 -6.158 -6.013) 11.408 4.804 ( -13.807 3.985 -1.019) 14.406 5.260 ( -7.079 -14.594 1.167) 16.262 5.495 ( -8.583 -4.377 -0.386) 9.642 5.840 ( -10.957 0.773 -0.318) 10.988 6.057 ( -9.412 1.660 8.851) 13.026 6.707 ( -4.700 2.713 -3.514) 6.465 7.096 ( -1.135 3.763 3.781) 5.453 7.626 ( 10.278 2.638 -10.522) 14.944 8.269 ( -9.059 5.986 7.658) 13.287 8.940 ( -18.562 -5.792 6.962) 20.653 9.451 ( -7.374 0.805 6.765) 10.040 9.532 ( -3.271 1.318 6.753) 7.618 9.918 ( -6.493 -4.922 -3.370) 8.817 10.749 ( 4.616 16.332 -3.209) 17.273 11.360 ( 8.974 1.273 7.993) 12.085 11.926 ( 13.747 2.919 -14.730) 20.358 12.770 ( 10.471 -1.816 -0.607) 10.645 13.067 ( -9.628 6.640 5.093) 12.756 13.363 ( -3.484 -2.571 2.386) 4.944 13.496 ( 4.831 -2.927 5.239) 7.704 14.588 ( 13.828 -15.868 -7.402) 22.312 17.266 ( -9.312 1.227 -5.179) 10.726 18.984 ( 8.325 -0.751 4.818) 9.648 19.292 ( 1.194 -7.212 0.678) 7.342 19.523 ( -1.137 -4.048 1.306) 4.403 20.800 ( 3.815 11.157 -12.987) 17.542 23.031 ( -10.100 -13.924 -0.708) 17.216 23.480 ( 13.422 8.845 -0.099) 16.074 24.329 ( 6.407 -3.097 13.282) 15.069 ======================= Grid point 506 (241/432) ======================= q-point: (-0.45 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -20.474 8.578 13.582) 26.024 2.338 ( -21.942 6.102 -6.287) 23.626 3.254 ( -0.035 3.489 2.846) 4.503 3.467 ( 2.938 -9.054 -1.173) 9.591 3.574 ( 2.181 -1.130 8.172) 8.533 3.924 ( -6.073 -6.352 0.461) 8.800 4.522 ( -4.551 -2.175 -5.997) 7.836 4.671 ( 0.500 -1.695 2.324) 2.920 5.313 ( -4.115 -13.472 -2.961) 14.394 5.464 ( -1.398 -4.681 -0.573) 4.919 5.718 ( -8.209 -0.637 2.273) 8.541 6.047 ( -6.448 2.221 10.234) 12.298 6.565 ( -5.405 2.213 -5.368) 7.933 7.086 ( -2.999 2.211 2.944) 4.749 7.664 ( 12.178 -2.092 -8.552) 15.027 8.135 ( -10.739 3.120 0.771) 11.210 8.809 ( -16.835 3.553 9.043) 19.438 9.437 ( -6.667 -3.163 4.807) 8.807 9.580 ( -3.119 -0.740 8.728) 9.299 9.877 ( 1.876 5.092 -0.221) 5.431 10.654 ( -1.673 2.695 -2.350) 3.948 11.489 ( 5.142 6.454 3.880) 9.119 11.892 ( 11.770 3.234 -14.481) 18.939 12.819 ( -1.188 -0.925 -4.391) 4.642 12.965 ( -8.161 4.832 8.888) 12.998 13.348 ( -0.595 -4.754 -4.269) 6.417 13.671 ( 7.645 4.297 5.972) 10.610 14.812 ( 13.841 -16.458 -8.819) 23.243 17.176 ( -3.652 -0.384 7.080) 7.976 18.995 ( -0.104 1.056 -10.826) 10.878 19.423 ( 5.648 -1.952 8.066) 10.038 19.638 ( 10.382 -5.784 -1.771) 12.016 20.642 ( 1.890 8.356 -7.153) 11.161 22.999 ( -9.105 -15.099 -2.826) 17.857 23.543 ( 7.845 7.799 -0.251) 11.065 24.586 ( 3.991 -3.723 12.299) 13.456 ======================= Grid point 507 (242/432) ======================= q-point: (-0.36 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -24.638 8.788 -0.109) 26.159 2.126 ( -19.108 12.997 13.320) 26.674 3.277 ( -2.205 3.806 10.725) 11.592 3.527 ( -2.060 -7.071 -1.339) 7.486 3.725 ( 3.843 -2.209 5.077) 6.740 3.866 ( -13.016 -5.932 3.824) 14.806 4.392 ( -8.283 -7.004 -5.784) 12.293 4.840 ( 11.016 -3.552 6.209) 13.135 5.244 ( -7.000 -5.900 -8.465) 12.469 5.527 ( 3.218 -3.677 0.835) 4.957 5.718 ( -1.732 -2.461 6.657) 7.306 6.088 ( -4.092 1.015 11.203) 11.970 6.439 ( -1.612 -0.257 -5.205) 5.455 7.038 ( -6.939 -0.733 0.915) 7.037 7.740 ( 7.202 -5.384 -9.534) 13.105 8.027 ( -4.514 -0.523 3.140) 5.523 8.670 ( -14.490 11.113 13.646) 22.796 9.445 ( -5.717 -5.264 5.162) 9.330 9.619 ( -1.422 4.517 2.815) 5.509 9.868 ( 5.375 9.254 2.474) 10.984 10.599 ( -9.462 -11.332 -2.413) 14.959 11.475 ( 3.220 12.385 -1.665) 12.904 11.874 ( 10.381 -0.186 -10.327) 14.644 12.696 ( -9.543 3.011 -0.149) 10.008 12.962 ( -3.568 1.553 5.243) 6.529 13.311 ( 0.612 -2.955 -8.752) 9.257 13.721 ( 3.186 9.154 1.526) 9.812 14.999 ( 12.809 -14.349 -12.276) 22.818 17.379 ( 6.392 -6.906 20.025) 22.125 18.809 ( 1.786 6.372 -15.071) 16.460 19.582 ( 3.307 -4.187 2.855) 6.051 19.821 ( 16.620 -2.794 -2.939) 17.107 20.525 ( -2.018 7.118 -2.966) 7.971 23.004 ( -7.558 -18.731 -1.616) 20.263 23.563 ( 4.994 5.876 -0.366) 7.720 24.725 ( -2.673 -1.280 4.498) 5.386 ======================= Grid point 508 (243/432) ======================= q-point: (-0.27 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -15.242 10.717 13.642) 23.093 1.949 ( -15.224 14.432 16.073) 26.428 3.377 ( -2.805 -0.050 13.692) 13.976 3.506 ( -6.190 -3.553 -0.344) 7.145 3.734 ( -14.594 -4.413 4.855) 16.001 3.841 ( 3.852 0.518 -2.134) 4.434 4.322 ( -5.917 -10.744 -2.733) 12.566 4.935 ( -1.856 1.404 -9.935) 10.204 5.273 ( 8.387 -4.686 12.641) 15.877 5.581 ( 0.498 -1.118 -0.124) 1.230 5.825 ( 4.144 -0.400 5.982) 7.288 6.195 ( -2.931 -3.203 14.563) 15.196 6.444 ( 6.158 -3.508 -1.555) 7.256 6.946 ( -9.960 -4.589 -0.916) 11.005 7.659 ( -1.766 -1.237 -14.075) 14.239 8.116 ( -0.394 -6.672 8.307) 10.662 8.598 ( -9.846 13.717 21.520) 27.354 9.503 ( -0.919 1.730 0.603) 2.050 9.523 ( -2.899 2.849 2.274) 4.658 9.930 ( 6.478 6.052 4.809) 10.086 10.499 ( -18.798 -16.240 -4.421) 25.232 11.348 ( 3.798 17.241 -5.740) 18.564 11.928 ( 8.897 -4.518 -6.876) 12.118 12.550 ( -10.077 2.494 1.499) 10.489 12.922 ( -3.816 6.827 1.369) 7.940 13.230 ( 0.029 -0.015 -5.851) 5.851 13.678 ( 0.855 7.340 -0.332) 7.397 15.080 ( 9.942 -10.650 -17.706) 22.930 17.860 ( 13.275 -15.159 19.228) 27.852 18.652 ( 11.113 10.375 -10.580) 18.523 19.629 ( -4.504 -10.516 -3.921) 12.093 20.048 ( 22.637 2.157 -2.173) 22.843 20.377 ( -6.338 8.942 -2.542) 11.251 23.078 ( -7.393 -22.929 0.504) 24.096 23.572 ( 4.294 4.030 -1.205) 6.011 24.601 ( -13.520 5.333 -5.736) 15.625 ======================= Grid point 509 (244/432) ======================= q-point: (-0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.684 6.948 23.432) 24.450 1.888 ( -10.164 11.261 21.559) 26.361 3.412 ( -6.168 -2.530 -3.396) 7.482 3.492 ( -15.094 -1.256 20.739) 25.681 3.659 ( -1.946 -2.897 -0.398) 3.513 3.845 ( 6.992 3.175 -6.773) 10.239 4.343 ( -2.721 -11.254 -0.991) 11.621 4.752 ( -1.286 6.764 -9.109) 11.418 5.490 ( -0.258 -2.859 -2.184) 3.607 5.655 ( -0.463 -0.671 19.169) 19.186 5.975 ( 11.127 1.185 4.324) 11.997 6.400 ( -1.118 -6.640 17.743) 18.978 6.583 ( 8.884 -2.400 1.841) 9.385 6.859 ( -8.489 -8.440 -1.985) 12.134 7.431 ( -4.892 4.148 -13.777) 15.197 8.257 ( -11.062 -8.053 18.842) 23.286 8.699 ( -0.025 8.631 21.474) 23.144 9.338 ( -1.463 11.908 -4.432) 12.790 9.649 ( -0.637 -10.112 6.113) 11.833 10.021 ( 8.207 11.426 5.163) 14.986 10.302 ( -23.074 -18.748 -3.577) 29.945 11.172 ( 4.875 19.482 -7.550) 21.455 11.954 ( 2.742 -3.449 -10.972) 11.824 12.455 ( -7.266 -3.788 2.252) 8.498 12.817 ( -3.029 12.198 4.647) 13.400 13.200 ( 2.235 0.206 -2.167) 3.120 13.624 ( 0.246 3.895 -2.128) 4.445 15.031 ( 6.389 -6.834 -21.522) 23.467 18.187 ( 5.708 -9.134 -5.468) 12.079 18.840 ( 28.424 2.665 9.033) 29.944 19.554 ( -10.892 -14.189 -9.746) 20.370 20.139 ( -9.947 10.667 -5.771) 15.685 20.334 ( 25.731 4.352 2.090) 26.180 23.178 ( -11.912 -26.137 0.863) 28.736 23.582 ( 5.839 3.042 -2.952) 7.216 24.169 ( -23.635 15.039 -9.872) 29.703 ======================= Grid point 510 (245/432) ======================= q-point: (-0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 3.265 1.763 22.251) 22.558 1.999 ( -3.180 5.072 24.824) 25.536 3.304 ( -4.742 -1.270 -5.116) 7.090 3.527 ( -14.820 0.712 21.709) 26.295 3.716 ( 6.707 -6.010 -6.596) 11.162 3.819 ( 7.191 5.966 -5.893) 11.047 4.392 ( -0.274 -11.241 -4.542) 12.127 4.582 ( 0.399 10.064 -7.795) 12.737 5.461 ( -1.700 -0.334 1.432) 2.248 5.814 ( -9.192 0.216 18.409) 20.578 6.177 ( 10.844 0.206 3.763) 11.480 6.658 ( 1.860 -6.098 13.831) 15.229 6.720 ( 1.636 0.954 10.236) 10.410 6.813 ( -3.587 -5.388 -3.882) 7.548 7.217 ( -4.594 2.185 -5.100) 7.203 8.421 ( -16.094 -6.716 29.539) 34.303 8.890 ( 3.196 0.924 13.963) 14.354 9.211 ( 1.263 10.228 0.180) 10.307 9.747 ( -6.500 -9.739 2.162) 11.907 9.930 ( -7.816 11.789 -0.449) 14.152 10.356 ( 4.489 -16.479 7.601) 18.694 10.980 ( 4.628 17.753 -9.348) 20.591 11.804 ( -2.101 -0.244 -15.063) 15.211 12.439 ( -6.220 -7.083 -2.514) 9.756 12.781 ( -1.691 9.434 11.056) 14.632 13.232 ( 7.286 0.660 -2.284) 7.664 13.571 ( -0.558 1.337 -2.653) 3.023 14.880 ( 2.852 -3.307 -21.880) 22.311 18.200 ( 7.858 -1.782 -10.542) 13.269 19.303 ( 13.016 1.173 0.849) 13.096 19.372 ( -1.595 -15.300 -10.211) 18.463 19.827 ( -14.225 10.628 -3.352) 18.070 20.703 ( 28.416 1.816 5.406) 28.982 23.131 ( -27.767 -21.010 -5.992) 35.332 23.598 ( -0.566 7.810 -0.424) 7.842 23.663 ( -7.759 10.966 -5.363) 14.464 ======================= Grid point 512 (246/432) ======================= q-point: ( 0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 7.466 0.000 10.946) 13.250 2.896 ( 3.228 0.000 23.715) 23.934 3.076 ( 2.347 0.000 -7.902) 8.243 3.405 ( -4.516 -0.000 -8.648) 9.756 3.465 ( -0.574 -0.000 -7.609) 7.631 3.795 ( 3.722 0.000 -12.031) 12.594 4.229 ( -1.595 -0.000 -5.015) 5.263 4.512 ( 5.723 0.000 2.464) 6.231 5.735 ( -6.472 -0.000 9.264) 11.301 5.856 ( -15.356 -0.000 9.095) 17.847 6.215 ( -7.236 -0.000 0.543) 7.256 6.347 ( -11.190 -0.000 -0.112) 11.190 6.907 ( -4.695 -0.000 0.690) 4.746 6.966 ( 5.219 0.000 0.713) 5.267 7.828 ( -2.637 -0.000 36.501) 36.597 8.688 ( -17.985 -0.000 -13.654) 22.581 8.766 ( -18.264 -0.000 21.332) 28.083 9.410 ( 1.914 0.000 4.867) 5.230 9.748 ( 1.670 0.000 -4.623) 4.915 10.125 ( 13.551 0.000 24.366) 27.881 10.449 ( -3.985 -0.000 -13.973) 14.531 11.380 ( 5.999 0.000 -16.138) 17.217 11.565 ( 20.475 0.000 16.319) 26.183 11.982 ( 7.159 0.000 -10.873) 13.018 12.933 ( -3.098 -0.000 1.626) 3.498 13.499 ( 8.537 0.000 -7.220) 11.181 13.508 ( -5.426 -0.000 6.378) 8.374 14.300 ( -0.861 -0.000 -10.874) 10.908 18.123 ( -12.969 -0.000 -18.180) 22.332 18.370 ( 12.109 0.000 -2.870) 12.444 19.223 ( -13.083 -0.000 5.392) 14.151 19.780 ( -9.315 -0.000 1.040) 9.373 21.801 ( -10.572 -0.000 -17.131) 20.130 22.141 ( 21.216 0.000 16.384) 26.806 23.308 ( -2.611 -0.000 -0.222) 2.620 23.879 ( 8.937 0.000 -1.406) 9.047 ======================= Grid point 513 (247/432) ======================= q-point: ( 0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -1.329 6.922 5.675) 9.049 3.003 ( 1.318 -3.147 -7.138) 7.912 3.176 ( 4.523 0.151 12.252) 13.061 3.274 ( -2.680 -1.884 -6.915) 7.652 3.399 ( -0.369 2.305 2.672) 3.548 3.711 ( 5.611 -2.711 -14.067) 15.385 4.203 ( 3.670 -2.614 -3.332) 5.604 4.623 ( 3.079 -6.560 1.671) 7.437 5.644 ( -16.667 5.015 4.555) 17.992 5.736 ( -15.287 -3.419 2.836) 15.919 6.118 ( -9.724 -0.168 1.616) 9.859 6.216 ( -11.893 -0.033 3.633) 12.435 6.871 ( -0.390 1.997 0.245) 2.050 7.047 ( 4.949 -1.412 -0.197) 5.151 8.163 ( -6.976 2.859 33.774) 34.605 8.228 ( -14.425 12.655 -12.424) 22.861 8.814 ( -17.994 -12.639 13.677) 25.896 9.496 ( -0.393 1.718 8.430) 8.613 9.669 ( -1.503 1.700 -6.456) 6.843 10.196 ( -9.824 -1.290 -13.841) 17.022 10.610 ( 16.471 -3.102 20.269) 26.301 11.302 ( 12.036 7.653 -11.854) 18.546 11.948 ( 14.970 7.286 -3.914) 17.103 12.066 ( 18.957 -5.286 9.280) 21.759 12.936 ( -1.286 -7.172 -0.831) 7.334 13.474 ( -3.112 1.103 -1.266) 3.536 13.507 ( -4.020 -1.730 0.971) 4.483 14.198 ( 3.991 -0.427 -9.670) 10.470 17.781 ( -10.942 -0.417 -14.383) 18.077 18.526 ( 10.643 -0.224 4.441) 11.535 19.146 ( -6.755 -0.668 2.868) 7.369 19.636 ( -15.198 -1.577 2.183) 15.435 21.485 ( -1.792 5.737 -19.428) 20.337 22.565 ( 9.981 -4.730 15.851) 19.320 23.317 ( 5.489 0.244 -0.264) 5.501 23.980 ( 7.463 0.139 0.568) 7.486 ======================= Grid point 514 (248/432) ======================= q-point: (-0.73 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -9.230 6.301 0.262) 11.179 2.937 ( -5.306 -2.501 -7.764) 9.731 3.181 ( -2.404 1.572 -3.495) 4.524 3.295 ( 1.814 -3.432 2.439) 4.585 3.500 ( 3.006 4.316 9.797) 11.120 3.691 ( 9.051 -4.522 -10.012) 14.234 4.284 ( 7.425 -5.335 -1.827) 9.323 4.736 ( 0.060 -12.085 0.557) 12.098 5.371 ( -21.741 5.744 0.958) 22.507 5.576 ( -14.891 -3.515 -0.683) 15.315 6.001 ( -11.200 0.374 1.681) 11.332 6.126 ( -11.097 0.482 7.020) 13.140 6.847 ( -0.411 3.392 -0.975) 3.553 7.096 ( 1.421 -2.048 -1.182) 2.758 7.870 ( -4.695 8.825 -11.395) 15.158 8.360 ( -11.341 4.596 25.805) 28.560 8.823 ( -16.560 -10.005 10.746) 22.132 9.545 ( -2.763 3.086 6.173) 7.434 9.576 ( -2.967 1.266 -0.715) 3.304 9.912 ( -13.356 -6.967 -13.165) 20.006 11.034 ( 14.897 1.140 13.962) 20.449 11.277 ( 14.790 16.523 -5.293) 22.798 11.974 ( 15.151 5.819 -11.691) 20.003 12.492 ( 17.651 -2.878 10.350) 20.663 13.016 ( 4.223 -8.599 0.814) 9.615 13.378 ( -8.003 -1.151 -1.441) 8.213 13.453 ( -8.926 0.293 3.543) 9.608 14.206 ( 10.100 -6.797 -9.983) 15.744 17.507 ( -10.329 -0.090 -10.155) 14.485 18.749 ( 8.533 -0.130 11.706) 14.487 19.130 ( 1.306 -2.756 -1.590) 3.440 19.499 ( -12.395 -3.305 2.892) 13.150 21.207 ( 1.932 7.936 -19.274) 20.933 22.794 ( -4.798 -8.626 8.078) 12.755 23.459 ( 14.932 4.466 4.082) 16.111 24.091 ( 5.915 -1.032 3.836) 7.125 ======================= Grid point 515 (249/432) ======================= q-point: (-0.64 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -13.113 4.245 5.527) 14.850 2.734 ( -11.963 0.261 -9.064) 15.011 3.136 ( 2.063 -2.255 -3.118) 4.366 3.355 ( -2.226 -5.271 2.124) 6.103 3.566 ( 2.795 7.818 5.406) 9.907 3.768 ( 6.160 -6.287 -4.470) 9.872 4.415 ( 7.566 -5.334 -1.175) 9.332 4.802 ( -6.850 -7.899 -1.327) 10.539 5.074 ( -17.798 -3.165 0.649) 18.089 5.428 ( -9.989 -3.698 -0.684) 10.674 5.861 ( -11.726 1.481 1.496) 11.914 6.082 ( -9.173 1.220 9.381) 13.177 6.761 ( -4.568 4.124 -2.872) 6.792 7.097 ( -1.957 -3.200 -1.402) 4.005 7.698 ( 4.456 4.803 -9.319) 11.392 8.364 ( -16.023 5.259 12.684) 21.101 8.817 ( -12.740 -6.465 10.068) 17.478 9.509 ( -9.627 4.199 4.205) 11.313 9.547 ( 0.403 -1.152 0.685) 1.400 9.736 ( -10.135 -11.414 -2.210) 15.423 11.131 ( 10.117 23.886 -3.663) 26.198 11.417 ( 13.367 5.324 9.776) 17.395 11.983 ( 14.778 4.267 -13.663) 20.573 12.737 ( 8.789 -2.969 -1.319) 9.370 13.110 ( -3.002 -0.943 -1.878) 3.664 13.363 ( -10.569 1.300 4.615) 11.606 13.406 ( 6.758 -6.237 10.240) 13.763 14.328 ( 12.620 -14.052 -10.411) 21.566 17.285 ( -9.630 0.983 -4.452) 10.655 18.968 ( 4.794 -1.040 6.217) 7.920 19.204 ( 7.138 -3.368 2.044) 8.154 19.461 ( -1.596 -3.217 2.662) 4.470 20.960 ( 2.146 7.768 -16.631) 18.480 22.810 ( -11.211 -11.314 0.541) 15.937 23.646 ( 13.393 10.007 4.179) 17.233 24.262 ( 5.333 -4.755 9.454) 11.851 ======================= Grid point 516 (250/432) ======================= q-point: (-0.55 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -15.209 3.327 -5.876) 16.640 2.457 ( -17.596 7.657 10.680) 21.962 3.204 ( 6.365 -7.673 -2.941) 10.394 3.378 ( -3.179 -4.348 1.188) 5.516 3.609 ( 1.063 5.827 9.210) 10.951 3.805 ( -2.498 -7.024 -3.480) 8.228 4.497 ( -2.872 -1.118 -2.906) 4.236 4.646 ( -7.286 -1.155 1.316) 7.494 5.050 ( -5.373 -16.700 -1.756) 17.630 5.389 ( -2.008 -3.999 2.287) 5.026 5.726 ( -10.360 1.343 3.316) 10.960 6.082 ( -6.434 1.805 10.231) 12.220 6.607 ( -7.323 3.148 -4.446) 9.127 7.065 ( -5.369 -4.573 -1.990) 7.328 7.661 ( 7.358 1.110 -7.355) 10.463 8.189 ( -16.737 3.567 3.461) 17.459 8.826 ( -8.664 -0.366 10.025) 13.255 9.402 ( -9.687 -1.378 2.849) 10.190 9.595 ( 1.109 0.451 4.780) 4.927 9.747 ( -7.818 -13.655 4.005) 16.236 10.962 ( 5.872 28.431 -4.225) 29.337 11.614 ( 9.993 7.619 6.614) 14.200 11.962 ( 13.027 4.861 -14.924) 20.398 12.785 ( 1.805 -2.520 -5.246) 6.093 13.023 ( -7.553 -0.208 2.296) 7.897 13.277 ( -7.235 -2.335 0.466) 7.617 13.706 ( 11.629 0.246 9.464) 14.996 14.514 ( 13.135 -18.218 -10.170) 24.655 17.170 ( -6.101 -0.302 4.443) 7.554 18.990 ( 1.678 -1.551 -9.035) 9.319 19.409 ( 9.021 0.461 9.007) 12.757 19.572 ( 10.561 -2.556 1.345) 10.949 20.757 ( 0.037 5.398 -11.337) 12.557 22.742 ( -13.122 -14.112 -2.106) 19.385 23.722 ( 8.793 12.473 1.247) 15.312 24.499 ( 2.978 -6.712 11.682) 13.798 ======================= Grid point 517 (251/432) ======================= q-point: (-0.45 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -17.631 10.513 0.198) 20.529 2.319 ( -16.762 10.167 14.082) 24.138 3.313 ( 3.636 -2.488 1.504) 4.655 3.391 ( -2.328 -7.043 -0.041) 7.417 3.702 ( -5.025 -2.745 8.216) 10.015 3.775 ( -2.885 -2.435 3.032) 4.842 4.299 ( -13.105 -3.290 -6.272) 14.897 4.770 ( 8.851 -4.607 4.621) 10.997 5.076 ( -5.644 -13.390 -2.705) 14.780 5.475 ( 2.808 -2.773 4.201) 5.764 5.680 ( -5.445 -1.657 7.893) 9.731 6.115 ( -3.901 1.896 9.696) 10.621 6.441 ( -6.160 0.744 -4.792) 7.840 6.982 ( -10.309 -6.114 -2.604) 12.265 7.671 ( 4.493 -2.721 -7.347) 9.031 8.020 ( -10.308 -0.035 2.935) 10.718 8.826 ( -6.166 7.289 11.789) 15.170 9.346 ( -9.024 -5.488 3.623) 11.166 9.670 ( 1.916 2.515 6.205) 6.964 9.816 ( -7.202 -15.445 2.380) 17.207 10.735 ( 1.374 26.302 -2.725) 26.479 11.699 ( 8.885 13.038 1.840) 15.885 11.904 ( 10.571 3.805 -14.230) 18.130 12.723 ( -5.487 0.039 -2.255) 5.932 12.989 ( -5.064 0.723 5.691) 7.652 13.226 ( -2.210 -5.742 -5.109) 7.997 13.859 ( 5.986 6.569 2.217) 9.160 14.719 ( 12.221 -18.504 -11.010) 24.759 17.269 ( 0.890 -5.957 14.854) 16.028 18.882 ( 4.679 1.780 -15.208) 16.011 19.546 ( 2.893 0.914 1.632) 3.445 19.805 ( 20.649 0.106 0.861) 20.667 20.610 ( -3.416 3.029 -4.724) 6.569 22.682 ( -13.372 -17.972 -0.967) 22.422 23.719 ( 6.540 11.776 -0.518) 13.481 24.669 ( -3.107 -5.369 7.343) 9.612 ======================= Grid point 518 (252/432) ======================= q-point: (-0.36 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -10.938 14.963 12.671) 22.452 2.182 ( -14.695 12.857 15.356) 24.841 3.376 ( -1.562 -0.891 4.547) 4.890 3.422 ( -3.076 -6.239 1.292) 7.074 3.656 ( -12.758 -4.979 4.435) 14.395 3.873 ( 4.147 3.276 5.716) 7.785 4.139 ( -7.384 -9.759 -6.165) 13.703 4.905 ( 1.043 -5.361 -5.895) 8.036 5.173 ( 4.396 -7.255 11.024) 13.910 5.562 ( 0.271 -0.672 5.276) 5.325 5.794 ( 2.595 -3.587 9.002) 10.032 6.171 ( -3.266 0.362 10.354) 10.863 6.373 ( 0.424 -4.370 -1.420) 4.615 6.850 ( -14.054 -7.214 -1.676) 15.886 7.619 ( -1.602 -2.925 -9.103) 9.695 8.013 ( -2.564 -5.636 4.404) 7.598 8.821 ( -6.866 12.306 17.049) 22.119 9.359 ( -5.940 -9.358 5.493) 12.370 9.701 ( 1.912 8.596 0.623) 8.828 9.859 ( -9.143 -16.137 0.944) 18.571 10.519 ( -1.371 21.085 0.634) 21.139 11.659 ( 10.227 19.528 -6.331) 22.934 11.881 ( 7.731 -1.143 -8.176) 11.310 12.602 ( -9.156 2.931 0.030) 9.613 12.990 ( -3.658 1.843 5.116) 6.554 13.190 ( 0.652 -4.514 -6.387) 7.849 13.832 ( 0.769 9.778 -0.753) 9.837 14.855 ( 9.096 -15.940 -15.359) 23.931 17.615 ( 7.474 -13.683 18.544) 24.227 18.771 ( 11.258 3.004 -16.206) 19.960 19.526 ( -3.175 -0.781 -3.896) 5.086 20.081 ( 23.455 1.672 -3.069) 23.714 20.496 ( -5.312 4.957 0.594) 7.290 22.683 ( -13.392 -22.213 1.904) 26.007 23.695 ( 6.061 9.720 -2.033) 11.633 24.642 ( -11.798 -0.533 -0.506) 11.820 ======================= Grid point 519 (253/432) ======================= q-point: (-0.27 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.613 12.529 20.254) 23.824 2.100 ( -11.485 12.835 19.442) 25.974 3.353 ( -6.271 -4.402 -2.585) 8.086 3.469 ( -6.678 -1.599 11.574) 13.458 3.613 ( -4.082 -2.404 2.790) 5.498 3.916 ( 5.611 5.754 -1.411) 8.160 4.135 ( -2.130 -13.139 -2.524) 13.548 4.832 ( -1.022 1.910 -5.945) 6.328 5.416 ( 2.752 -5.914 4.227) 7.773 5.648 ( -1.714 0.131 15.320) 15.416 5.985 ( 9.891 -1.068 5.947) 11.590 6.290 ( -2.522 -5.458 14.243) 15.460 6.487 ( 5.048 -8.495 3.637) 10.529 6.724 ( -13.194 -7.518 1.044) 15.222 7.473 ( -3.839 0.836 -11.579) 12.227 8.100 ( -5.790 -10.065 8.124) 14.171 8.864 ( -6.806 10.309 22.756) 25.893 9.472 ( -1.576 -10.593 6.784) 12.677 9.589 ( 1.294 15.513 -3.787) 16.021 9.875 ( -12.620 -19.753 0.683) 23.450 10.370 ( 1.115 20.019 3.284) 20.317 11.519 ( 9.529 21.541 -9.522) 25.406 11.894 ( 4.726 -2.844 -9.360) 10.864 12.447 ( -10.370 1.675 -0.375) 10.511 12.973 ( -2.719 6.072 5.590) 8.690 13.189 ( 3.538 -1.771 -2.748) 4.817 13.732 ( -1.568 8.713 -1.378) 8.960 14.866 ( 5.487 -12.682 -19.605) 23.986 17.996 ( 7.128 -12.916 6.217) 16.009 18.826 ( 18.923 -5.775 -7.564) 21.181 19.408 ( -6.264 -1.528 -6.356) 9.054 20.206 ( 0.386 -0.573 -8.825) 8.852 20.491 ( 16.334 11.916 5.845) 21.047 22.733 ( -15.320 -25.085 3.419) 29.591 23.673 ( 6.793 7.244 -3.626) 10.572 24.360 ( -20.001 7.482 -6.235) 22.246 ======================= Grid point 520 (254/432) ======================= q-point: (-0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.226 6.203 18.749) 20.195 2.128 ( -8.123 9.497 23.937) 27.003 3.265 ( -5.062 -3.260 -4.618) 7.588 3.537 ( -6.400 -0.507 13.519) 14.966 3.636 ( 1.760 -2.718 -1.842) 3.726 3.916 ( 6.195 5.878 -3.188) 9.116 4.199 ( 1.517 -11.482 -4.628) 12.472 4.731 ( 0.382 7.146 -4.678) 8.550 5.451 ( -1.299 -0.737 1.950) 2.456 5.817 ( -6.942 -0.000 18.496) 19.756 6.181 ( 10.400 0.077 3.233) 10.891 6.530 ( 0.976 -8.935 17.264) 19.463 6.668 ( -3.597 -10.637 4.908) 12.255 6.688 ( -0.923 -4.663 5.629) 7.368 7.264 ( -5.878 2.718 -8.751) 10.887 8.232 ( -10.113 -14.182 15.814) 23.526 8.959 ( -6.973 6.485 19.152) 21.389 9.460 ( 5.485 17.645 1.264) 18.521 9.590 ( -6.125 -9.158 4.850) 12.038 9.913 ( -9.321 -18.343 2.685) 20.750 10.289 ( 5.901 15.763 2.797) 17.062 11.339 ( 8.208 22.803 -9.121) 25.895 11.794 ( 0.057 -0.917 -15.051) 15.079 12.327 ( -8.974 -4.812 -1.620) 10.311 12.962 ( -1.568 9.925 9.103) 13.559 13.244 ( 7.629 0.492 -1.388) 7.770 13.626 ( -2.259 5.480 -2.164) 6.310 14.772 ( 2.280 -9.482 -20.887) 23.051 18.144 ( 8.026 -4.803 -6.601) 11.448 19.046 ( -4.114 -21.265 -8.483) 23.262 19.343 ( 13.616 3.394 -0.423) 14.039 19.990 ( -10.961 6.455 -7.795) 14.919 20.776 ( 25.845 7.257 6.560) 27.634 22.738 ( -20.727 -23.309 0.583) 31.197 23.672 ( 8.149 4.666 -4.539) 10.430 23.917 ( -20.850 13.679 -5.328) 25.499 ======================= Grid point 521 (255/432) ======================= q-point: (-0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.289 1.127 17.930) 17.967 2.301 ( 1.863 5.558 23.909) 24.617 3.182 ( -1.839 -2.335 -5.799) 6.516 3.595 ( -1.627 -2.252 1.616) 3.214 3.630 ( -1.682 -1.810 -2.939) 3.840 3.906 ( 6.098 5.214 -4.497) 9.197 4.257 ( 2.771 -7.742 -3.749) 9.037 4.601 ( 0.029 10.828 -5.371) 12.087 5.507 ( 0.158 -0.772 8.539) 8.575 5.888 ( -10.509 1.303 15.988) 19.177 6.292 ( 2.471 -0.127 1.144) 2.726 6.639 ( -5.059 -1.896 -2.711) 6.045 6.789 ( 5.155 -4.638 1.634) 7.124 6.894 ( -6.433 -6.036 25.723) 27.194 7.155 ( -2.174 -2.004 3.814) 4.825 8.431 ( -13.315 -17.640 20.710) 30.288 9.019 ( -3.126 1.847 11.016) 11.599 9.471 ( 7.510 18.610 8.203) 21.680 9.599 ( -10.055 -6.689 6.872) 13.895 9.866 ( -7.025 3.965 -2.605) 8.477 10.424 ( 9.921 -12.057 2.876) 15.877 11.162 ( 8.788 23.850 -4.833) 25.873 11.626 ( 2.359 0.378 -15.365) 15.550 12.214 ( -9.210 -8.120 -7.698) 14.492 12.969 ( -1.321 10.837 9.924) 14.754 13.339 ( 10.667 1.582 -1.843) 10.940 13.542 ( -2.207 1.907 -1.542) 3.299 14.619 ( -0.277 -6.301 -18.659) 19.696 18.199 ( 10.863 -1.704 -8.678) 14.008 18.866 ( -15.902 -10.987 -15.285) 24.642 19.544 ( -0.096 -1.182 0.143) 1.195 19.744 ( 1.163 5.667 -2.721) 6.393 21.172 ( 26.313 2.058 9.934) 28.201 22.552 ( -25.640 -12.358 -6.565) 29.210 23.550 ( -13.400 9.915 0.112) 16.670 23.711 ( 9.605 2.096 -4.617) 10.862 ======================= Grid point 524 (256/432) ======================= q-point: ( 0.18 -0.82 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -4.002 -0.000 -11.831) 12.489 2.878 ( -9.259 -0.000 0.110) 9.260 3.212 ( -0.815 -0.000 -1.785) 1.962 3.250 ( -2.324 -0.000 2.039) 3.092 3.547 ( 2.185 0.000 14.905) 15.064 3.645 ( 12.232 0.000 -14.726) 19.144 4.241 ( 7.044 0.000 -0.677) 7.077 4.618 ( -1.035 -0.000 0.608) 1.200 5.447 ( -22.404 -0.000 -0.157) 22.404 5.524 ( -14.380 -0.000 -0.056) 14.380 6.004 ( -11.080 -0.000 2.274) 11.311 6.130 ( -10.983 -0.000 7.220) 13.144 6.886 ( 0.713 0.000 -0.415) 0.825 7.067 ( 1.109 0.000 -3.086) 3.279 7.952 ( -8.325 -0.000 -13.776) 16.096 8.400 ( -13.686 -0.000 28.185) 31.332 8.735 ( -14.473 -0.000 14.985) 20.833 9.565 ( -2.572 -0.000 -6.788) 7.259 9.587 ( -3.906 -0.000 10.282) 10.999 9.856 ( -11.442 -0.000 -16.536) 20.108 11.042 ( 15.792 0.000 17.624) 23.664 11.425 ( 18.510 0.000 -9.041) 20.600 12.060 ( 15.073 0.000 -11.540) 18.983 12.445 ( 14.367 0.000 12.777) 19.226 12.931 ( 6.985 0.000 3.038) 7.617 13.344 ( -4.873 -0.000 -9.652) 10.812 13.473 ( -11.974 -0.000 9.499) 15.284 14.149 ( 8.072 0.000 -11.452) 14.011 17.506 ( -10.031 -0.000 -9.581) 13.871 18.749 ( 8.359 0.000 12.235) 14.818 19.107 ( 0.142 0.000 -1.329) 1.336 19.470 ( -11.781 -0.000 2.623) 12.070 21.276 ( 1.799 0.000 -20.955) 21.032 22.719 ( -5.138 -0.000 8.758) 10.154 23.498 ( 15.015 0.000 6.973) 16.555 24.081 ( 5.924 0.000 1.788) 6.188 ======================= Grid point 526 (257/432) ======================= q-point: (-0.73 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -5.929 1.298 -8.212) 10.212 2.731 ( -11.776 -0.397 -2.145) 11.977 3.141 ( -1.776 2.514 -3.448) 4.622 3.258 ( -4.757 -5.293 2.926) 7.695 3.653 ( 8.671 -0.016 -8.316) 12.014 3.719 ( 1.631 1.991 9.734) 10.068 4.354 ( 7.412 -1.712 2.119) 7.897 4.628 ( -2.715 -7.857 -0.292) 8.319 5.100 ( -24.699 2.406 -2.618) 24.954 5.377 ( -9.185 -2.014 -0.073) 9.404 5.881 ( -12.196 0.743 3.028) 12.588 6.096 ( -9.092 0.406 9.614) 13.238 6.844 ( -2.814 4.980 -2.552) 6.263 7.015 ( -4.205 -5.283 -4.547) 8.141 7.757 ( 0.863 1.856 -10.228) 10.430 8.435 ( -19.702 2.664 16.780) 26.016 8.753 ( -10.489 -1.507 15.283) 18.597 9.438 ( -9.090 -6.011 -8.414) 13.768 9.589 ( -2.638 3.081 -3.315) 5.239 9.644 ( -6.509 -1.707 6.113) 9.091 11.380 ( 12.165 5.051 10.198) 16.659 11.547 ( 18.028 7.543 -4.336) 20.018 12.083 ( 14.827 6.726 -12.751) 20.680 12.646 ( 3.795 -6.538 0.377) 7.569 13.118 ( -1.686 3.345 -5.069) 6.303 13.253 ( 10.763 -8.173 3.670) 14.004 13.421 ( -12.259 1.884 14.715) 19.245 14.156 ( 11.242 -5.623 -12.878) 17.996 17.296 ( -9.879 0.374 -4.034) 10.677 18.954 ( 1.929 -0.517 5.854) 6.185 19.172 ( 10.532 -0.759 4.203) 11.365 19.422 ( -1.043 -1.326 3.258) 3.669 21.051 ( 1.286 2.868 -19.428) 19.681 22.676 ( -11.320 -4.256 1.228) 12.156 23.784 ( 13.388 5.280 10.586) 17.865 24.187 ( 4.370 -3.303 3.979) 6.771 ======================= Grid point 527 (258/432) ======================= q-point: (-0.64 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -6.848 1.507 -6.593) 9.625 2.566 ( -13.291 4.743 7.639) 16.047 3.096 ( 2.838 -3.742 -4.912) 6.796 3.276 ( -5.463 -6.991 2.904) 9.336 3.646 ( 0.349 -3.726 -5.900) 6.986 3.789 ( -1.435 6.342 9.135) 11.213 4.481 ( 1.699 -0.613 2.662) 3.217 4.614 ( -7.749 -3.838 -1.959) 8.867 4.814 ( -12.498 -9.305 -1.451) 15.649 5.336 ( -1.959 -2.264 2.984) 4.227 5.753 ( -12.647 1.517 5.080) 13.713 6.105 ( -6.547 0.911 10.328) 12.262 6.679 ( -8.015 5.674 -4.396) 10.759 6.949 ( -6.984 -8.516 -5.218) 12.187 7.681 ( 3.954 0.945 -7.658) 8.670 8.259 ( -19.922 4.526 5.395) 21.130 8.826 ( -6.927 0.461 15.536) 17.017 9.286 ( -8.431 -11.773 -8.422) 16.752 9.577 ( -0.789 0.870 5.309) 5.438 9.649 ( -7.606 -0.739 8.563) 11.477 11.428 ( 9.995 23.603 -2.764) 25.780 11.718 ( 12.267 4.161 5.005) 13.887 12.058 ( 13.929 7.052 -13.647) 20.736 12.721 ( 2.796 -6.321 -4.307) 8.144 12.964 ( -6.879 -4.059 -5.302) 9.587 13.272 ( -11.230 0.502 4.334) 12.047 13.698 ( 13.851 -0.546 14.385) 19.977 14.241 ( 12.568 -13.079 -12.646) 22.111 17.166 ( -7.882 -0.164 2.701) 8.333 18.958 ( 3.405 -1.708 -9.598) 10.327 19.428 ( 9.767 1.355 12.638) 16.030 19.542 ( 11.624 -1.139 3.319) 12.142 20.823 ( -1.124 2.622 -15.749) 16.006 22.555 ( -13.712 -7.876 -1.853) 15.922 23.936 ( 7.370 12.615 5.649) 15.665 24.365 ( 2.761 -9.044 8.704) 12.852 ======================= Grid point 528 (259/432) ======================= q-point: (-0.55 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -8.926 9.960 0.898) 13.404 2.475 ( -12.864 8.540 13.324) 20.395 3.174 ( 5.434 -10.237 -2.587) 11.875 3.302 ( -3.575 -6.520 1.977) 7.694 3.598 ( -5.880 -7.123 -3.224) 9.783 3.820 ( -2.719 5.028 10.444) 11.906 4.296 ( -14.671 2.759 -3.495) 15.332 4.684 ( 4.489 -6.224 0.523) 7.691 4.844 ( -2.078 -12.334 3.545) 13.001 5.427 ( 3.387 -2.842 6.324) 7.716 5.669 ( -10.673 0.323 9.303) 14.162 6.143 ( -4.037 1.264 9.557) 10.451 6.471 ( -9.451 3.059 -4.526) 10.917 6.844 ( -11.021 -9.690 -5.856) 15.800 7.644 ( 2.491 -0.761 -6.872) 7.349 8.035 ( -13.933 1.953 1.148) 14.116 8.914 ( -3.856 3.488 14.594) 15.493 9.218 ( -7.175 -11.625 -4.108) 14.265 9.601 ( -13.979 -5.630 11.310) 18.842 9.704 ( 3.893 1.222 5.781) 7.075 11.253 ( 6.450 31.715 -4.275) 32.646 11.855 ( 8.659 4.958 1.358) 10.070 12.013 ( 13.197 8.855 -13.050) 20.564 12.712 ( -0.808 -1.177 -3.971) 4.220 12.925 ( -2.389 -8.455 -1.563) 8.924 13.174 ( -10.094 -0.323 3.683) 10.750 13.941 ( 8.482 3.639 3.835) 9.995 14.407 ( 12.063 -17.814 -10.043) 23.743 17.186 ( -2.665 -3.816 10.826) 11.785 18.876 ( 5.903 -1.726 -17.305) 18.366 19.607 ( 3.919 5.224 6.464) 9.188 19.810 ( 22.327 0.274 2.443) 22.462 20.632 ( -3.987 -0.044 -9.142) 9.974 22.434 ( -14.079 -11.358 -0.900) 18.112 23.935 ( 4.218 13.632 1.714) 14.372 24.548 ( -2.702 -8.912 7.817) 12.158 ======================= Grid point 529 (260/432) ======================= q-point: (-0.45 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -6.516 15.920 11.553) 20.721 2.381 ( -12.324 11.488 13.938) 21.866 3.277 ( -2.832 -9.252 0.193) 9.677 3.349 ( 1.342 -4.346 1.904) 4.931 3.559 ( -5.950 -6.941 0.157) 9.144 3.873 ( -5.751 -4.362 7.740) 10.583 4.104 ( -3.071 6.969 -1.487) 7.759 4.759 ( 0.435 -11.571 -4.537) 12.436 5.044 ( 4.594 -7.367 11.948) 14.770 5.563 ( 1.259 0.323 8.263) 8.365 5.716 ( -4.111 -4.850 12.850) 14.337 6.191 ( -2.936 1.451 8.443) 9.056 6.318 ( -5.946 -1.791 -1.591) 6.411 6.706 ( -12.700 -9.717 -4.586) 16.635 7.582 ( -1.321 -1.200 -6.961) 7.186 7.928 ( -5.797 -4.480 0.344) 7.334 8.990 ( -3.958 7.409 14.206) 16.504 9.198 ( -6.893 -10.525 2.253) 12.782 9.589 ( -16.678 -11.371 8.585) 21.936 9.815 ( 5.722 4.736 5.302) 9.126 11.001 ( 4.124 32.582 -3.271) 33.004 11.880 ( 6.928 0.723 -11.130) 13.130 11.972 ( 13.083 16.694 -4.072) 21.597 12.641 ( -5.250 1.939 -2.008) 5.946 12.963 ( -1.295 -6.334 0.675) 6.501 13.121 ( -4.175 -2.188 2.194) 5.199 13.972 ( 2.446 6.457 -1.819) 7.140 14.569 ( 8.206 -17.339 -11.936) 22.593 17.414 ( 3.651 -9.993 16.750) 19.843 18.757 ( 8.338 -3.419 -22.027) 23.799 19.599 ( -0.702 8.245 -0.457) 8.287 20.102 ( 21.413 0.842 -4.272) 21.852 20.538 ( -0.982 0.109 0.803) 1.273 22.372 ( -13.303 -14.585 2.228) 19.866 23.879 ( 3.290 11.987 -0.740) 12.453 24.589 ( -10.263 -5.530 2.431) 11.909 ======================= Grid point 530 (261/432) ======================= q-point: (-0.36 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -2.923 14.585 16.576) 22.272 2.304 ( -10.683 11.988 16.514) 23.034 3.267 ( -6.465 -5.940 -1.320) 8.878 3.427 ( -0.188 -3.608 3.931) 5.340 3.570 ( -2.033 -3.715 2.842) 5.100 3.923 ( -2.780 -11.119 0.817) 11.491 4.052 ( 3.321 10.374 2.296) 11.132 4.798 ( 1.314 -6.090 -3.795) 7.295 5.302 ( 3.712 -7.261 9.629) 12.618 5.665 ( -1.535 1.893 13.333) 13.554 5.906 ( 2.274 -8.052 12.074) 14.689 6.244 ( -3.197 -0.373 9.155) 9.704 6.339 ( -1.080 -8.182 5.221) 9.766 6.597 ( -9.269 -7.728 -1.170) 12.125 7.473 ( -3.351 -0.262 -8.162) 8.827 7.932 ( -4.843 -9.889 0.736) 11.036 9.021 ( -7.777 7.811 17.557) 20.730 9.292 ( -1.727 -10.604 7.427) 13.061 9.553 ( -16.578 -13.140 5.490) 21.854 9.863 ( 4.997 11.970 2.231) 13.161 10.773 ( 3.552 27.566 -0.398) 27.797 11.798 ( 9.342 4.551 -16.010) 19.087 11.946 ( 8.763 15.467 -4.089) 18.241 12.484 ( -10.635 2.516 -3.372) 11.437 13.010 ( -1.046 -2.352 4.006) 4.762 13.156 ( 2.714 -1.094 2.747) 4.013 13.884 ( -1.928 8.370 -2.300) 8.892 14.623 ( 4.040 -15.713 -16.385) 23.058 17.776 ( 6.870 -12.767 13.974) 20.136 18.676 ( 9.052 -10.291 -20.128) 24.352 19.481 ( -0.619 8.395 -4.166) 9.392 20.170 ( -0.445 -3.423 -8.018) 8.729 20.670 ( 19.407 8.897 5.339) 22.007 22.375 ( -13.304 -17.278 4.332) 22.232 23.813 ( 3.662 9.276 -2.682) 10.327 24.424 ( -17.306 0.480 -3.242) 17.614 ======================= Grid point 531 (262/432) ======================= q-point: (-0.27 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -1.085 7.815 15.669) 17.543 2.300 ( -6.999 11.046 20.202) 24.065 3.199 ( -5.628 -4.480 -3.538) 8.017 3.493 ( 0.935 -3.869 0.412) 4.002 3.617 ( -0.898 -1.829 3.603) 4.140 4.022 ( 0.845 -5.969 0.763) 6.076 4.033 ( 6.020 5.617 0.147) 8.235 4.805 ( 2.543 1.371 -2.919) 4.107 5.433 ( -0.245 -1.768 4.495) 4.837 5.816 ( -3.905 0.017 17.519) 17.949 6.154 ( 7.696 -5.172 6.289) 11.204 6.370 ( -3.676 -8.799 17.539) 19.964 6.493 ( -4.478 -9.606 11.543) 15.671 6.589 ( 0.509 -6.294 0.633) 6.346 7.301 ( -6.369 1.712 -9.203) 11.322 7.986 ( -7.021 -14.461 5.027) 16.843 9.070 ( -9.889 6.121 19.451) 22.662 9.436 ( -8.394 -8.639 8.830) 14.935 9.571 ( -1.654 -14.888 4.183) 15.552 9.813 ( 4.414 17.753 2.605) 18.478 10.618 ( 2.295 21.620 1.125) 21.771 11.690 ( 11.803 12.721 -14.131) 22.379 11.812 ( 2.259 9.590 -12.818) 16.167 12.282 ( -12.502 -1.033 -3.506) 13.025 13.069 ( -0.419 1.792 7.510) 7.732 13.257 ( 7.742 2.001 2.895) 8.504 13.747 ( -4.164 8.186 -1.979) 9.395 14.572 ( 1.080 -13.914 -18.906) 23.499 18.046 ( 8.167 -6.765 0.732) 10.630 18.699 ( -1.072 -19.431 -10.064) 21.909 19.414 ( 9.161 5.028 -4.373) 11.328 20.029 ( -9.010 -1.267 -7.880) 12.037 20.939 ( 24.168 11.447 5.909) 27.387 22.390 ( -14.556 -17.843 2.889) 23.208 23.765 ( 4.912 6.225 -3.906) 8.840 24.088 ( -20.069 6.867 -5.397) 21.887 ======================= Grid point 532 (263/432) ======================= q-point: (-0.18 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -1.737 2.443 15.890) 16.170 2.420 ( 1.517 8.146 20.495) 22.107 3.130 ( -2.746 -3.657 -4.571) 6.466 3.504 ( 0.221 -5.844 -6.987) 9.112 3.637 ( -1.328 -0.731 -0.253) 1.537 3.988 ( 2.915 3.763 -4.375) 6.465 4.174 ( 6.141 -1.250 4.614) 7.782 4.761 ( 2.302 7.824 -4.029) 9.096 5.499 ( -0.676 -0.131 8.372) 8.400 5.912 ( -8.566 1.224 14.529) 16.911 6.284 ( 2.204 -1.105 1.473) 2.873 6.588 ( -4.841 -4.652 4.860) 8.288 6.684 ( 6.709 -7.312 7.799) 12.621 6.743 ( -3.901 -11.388 22.012) 25.088 7.125 ( -6.292 -1.207 -1.914) 6.686 8.105 ( -9.074 -19.438 8.416) 23.044 9.094 ( -8.477 5.372 15.021) 18.065 9.467 ( -9.727 -8.311 8.316) 15.259 9.761 ( 3.894 1.294 6.949) 8.070 9.809 ( 4.509 5.691 5.740) 9.256 10.474 ( 0.715 15.212 -0.772) 15.248 11.548 ( 10.615 22.404 -9.402) 26.515 11.634 ( 3.944 0.503 -15.573) 16.073 12.090 ( -11.811 -5.844 -7.468) 15.147 13.133 ( -0.188 6.118 9.173) 11.028 13.371 ( 8.414 3.543 1.662) 9.279 13.610 ( -2.881 6.119 -2.172) 7.104 14.467 ( -0.627 -11.720 -17.823) 21.341 18.160 ( 10.718 -2.739 -6.780) 12.975 18.651 ( -12.899 -13.827 -7.213) 20.239 19.516 ( 8.591 -2.161 -3.617) 9.569 19.818 ( -5.735 2.446 -6.366) 8.910 21.241 ( 20.184 6.488 9.669) 23.302 22.334 ( -14.135 -12.633 -3.071) 19.204 23.711 ( -13.412 7.668 -3.054) 15.748 23.765 ( 3.749 4.729 -4.242) 7.376 ======================= Grid point 533 (264/432) ======================= q-point: (-0.09 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 1.075 -0.956 15.876) 15.941 2.649 ( 6.093 4.741 19.067) 20.571 3.086 ( 0.184 -2.865 -5.122) 5.872 3.452 ( -1.084 -7.002 -9.463) 11.822 3.581 ( -0.928 1.207 -6.496) 6.672 3.933 ( 2.321 2.967 -6.778) 7.754 4.278 ( 2.674 2.279 2.731) 4.450 4.658 ( 3.208 11.759 -3.528) 12.689 5.610 ( -2.136 -1.838 11.375) 11.719 5.927 ( -11.041 1.407 12.504) 16.740 6.287 ( -3.239 0.049 0.193) 3.245 6.517 ( -9.388 0.837 -1.906) 9.616 6.807 ( 2.231 -5.047 0.470) 5.538 6.974 ( -4.427 -2.087 8.281) 9.619 7.303 ( 1.882 -9.950 29.025) 30.741 8.244 ( -11.958 -23.612 6.879) 27.346 9.140 ( -4.075 3.768 13.267) 14.381 9.535 ( -6.417 -4.976 10.095) 12.956 9.691 ( -10.519 9.562 -2.552) 14.443 9.923 ( 10.003 9.910 10.718) 17.696 10.462 ( 6.072 -2.650 -1.760) 6.855 11.454 ( 8.451 17.572 -1.417) 19.550 11.501 ( 5.251 0.770 -14.235) 15.192 11.939 ( -1.921 -7.932 -11.020) 13.713 13.143 ( -1.890 11.743 6.531) 13.569 13.427 ( -0.721 -2.342 1.086) 2.680 13.560 ( 6.737 6.600 -2.006) 9.642 14.356 ( -0.918 -8.458 -13.923) 16.317 18.237 ( 9.522 -2.419 -7.000) 12.064 18.455 ( -11.128 -4.488 -11.334) 16.506 19.414 ( -12.522 2.156 -2.475) 12.945 19.807 ( 4.250 -0.925 -0.863) 4.434 21.556 ( 8.331 -5.714 10.483) 14.559 22.193 ( -1.908 0.828 -7.644) 7.922 23.460 ( -9.727 6.052 -0.890) 11.491 23.797 ( 7.992 1.107 -2.823) 8.548 ======================= Grid point 537 (265/432) ======================= q-point: ( 0.27 -0.73 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -2.373 -0.000 -6.747) 7.152 2.605 ( -10.696 -0.000 5.388) 11.977 3.081 ( 0.018 0.000 -6.134) 6.134 3.196 ( -6.719 -0.000 3.968) 7.803 3.605 ( -0.091 -0.000 -7.355) 7.355 3.861 ( -2.747 -0.000 11.435) 11.760 4.480 ( 4.863 0.000 4.970) 6.953 4.551 ( -1.521 -0.000 -2.602) 3.014 4.751 ( -21.554 -0.000 -2.864) 21.743 5.316 ( -1.786 -0.000 3.036) 3.522 5.767 ( -13.588 -0.000 5.954) 14.835 6.112 ( -6.606 -0.000 10.355) 12.283 6.779 ( -7.525 -0.000 -3.556) 8.323 6.822 ( -8.349 -0.000 -7.077) 10.945 7.689 ( 3.134 0.000 -8.223) 8.800 8.307 ( -21.381 -0.000 6.948) 22.481 8.833 ( -7.443 -0.000 18.022) 19.499 9.163 ( -7.724 -0.000 -10.450) 12.995 9.600 ( 5.082 0.000 -0.013) 5.082 9.639 ( -12.680 -0.000 12.426) 17.754 11.647 ( 8.499 0.000 6.846) 10.914 11.743 ( 16.974 0.000 -5.681) 17.899 12.156 ( 15.187 0.000 -14.398) 20.927 12.623 ( -0.370 -0.000 -0.368) 0.522 12.935 ( -7.152 -0.000 -8.080) 10.791 13.275 ( -10.301 -0.000 4.286) 11.158 13.695 ( 14.124 0.000 17.438) 22.440 14.123 ( 12.196 0.000 -14.670) 19.078 17.165 ( -8.532 -0.000 2.103) 8.787 18.943 ( 3.997 0.000 -10.016) 10.784 19.441 ( 9.692 0.000 14.430) 17.383 19.532 ( 12.339 0.000 3.942) 12.953 20.845 ( -1.534 -0.000 -17.677) 17.743 22.488 ( -13.691 -0.000 -1.652) 13.790 24.089 ( 7.233 0.000 12.535) 14.472 24.243 ( 2.201 0.000 2.382) 3.244 ======================= Grid point 539 (266/432) ======================= q-point: (-0.64 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -1.566 5.600 1.580) 6.026 2.585 ( -7.731 3.520 13.188) 15.687 3.042 ( 3.444 -3.975 -5.267) 7.443 3.181 ( -5.276 -5.995 2.855) 8.481 3.508 ( -5.235 -2.965 -4.510) 7.520 3.891 ( -9.253 2.557 9.270) 13.345 4.375 ( -11.291 6.108 -1.160) 12.889 4.542 ( -2.035 -9.204 -4.240) 10.336 4.725 ( 4.430 -2.585 9.464) 10.765 5.390 ( 3.549 -1.323 6.076) 7.160 5.680 ( -13.770 0.563 11.008) 17.638 6.156 ( -4.379 0.378 9.756) 10.700 6.547 ( -11.414 6.124 -4.972) 13.874 6.682 ( -10.719 -9.087 -6.836) 15.627 7.637 ( 2.504 -0.193 -7.495) 7.904 8.075 ( -17.219 1.997 -0.320) 17.337 8.951 ( -5.864 1.113 17.872) 18.842 9.029 ( -3.788 -7.572 -6.235) 10.514 9.587 ( -16.548 1.068 13.151) 21.164 9.713 ( 6.581 -0.018 5.136) 8.348 11.695 ( 7.639 17.844 -2.643) 19.589 11.885 ( 10.183 -1.163 -4.022) 11.010 12.155 ( 14.411 6.976 -11.579) 19.759 12.642 ( -0.651 -7.476 -1.818) 7.721 12.810 ( -2.141 -2.360 -3.847) 4.995 13.177 ( -12.641 0.154 5.691) 13.864 14.001 ( 10.086 4.080 6.291) 12.568 14.160 ( 12.009 -10.606 -11.022) 19.447 17.143 ( -4.330 -1.300 8.653) 9.763 18.849 ( 6.212 -1.018 -18.623) 19.658 19.682 ( 4.501 2.863 11.408) 12.593 19.812 ( 23.196 -0.049 2.926) 23.380 20.623 ( -4.182 -0.563 -13.607) 14.246 22.307 ( -13.683 -3.760 -0.604) 14.203 24.163 ( 1.270 13.383 4.553) 14.193 24.375 ( -1.197 -11.662 6.422) 13.367 ======================= Grid point 540 (267/432) ======================= q-point: (-0.55 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -3.655 11.796 9.502) 15.581 2.582 ( -7.140 12.342 13.573) 19.685 3.115 ( 0.963 -9.268 -0.179) 9.319 3.234 ( -1.195 -9.311 2.592) 9.739 3.439 ( -3.279 -6.019 -3.382) 7.643 3.823 ( -10.862 -0.869 5.666) 12.281 4.257 ( -0.642 8.999 4.334) 10.009 4.556 ( -1.135 -11.232 -3.397) 11.789 4.946 ( 5.123 -4.064 12.123) 13.775 5.547 ( 4.917 -2.401 7.643) 9.400 5.668 ( -12.403 -0.516 16.813) 20.899 6.209 ( -3.680 0.540 8.533) 9.308 6.319 ( -10.613 1.950 -2.103) 10.994 6.543 ( -9.719 -9.190 -6.124) 14.711 7.578 ( 1.266 0.498 -7.358) 7.483 7.868 ( -10.201 -2.566 -3.677) 11.143 9.016 ( -2.783 -9.101 -1.599) 9.651 9.067 ( -5.070 1.820 16.529) 17.384 9.503 ( -19.914 -0.631 14.142) 24.432 9.872 ( 7.597 2.143 7.096) 10.614 11.526 ( 5.414 27.808 -6.552) 29.078 11.894 ( 6.314 0.665 -11.798) 13.397 12.188 ( 12.239 8.845 -2.679) 15.337 12.651 ( -0.019 -3.756 -5.726) 6.848 12.827 ( 0.631 -5.413 1.449) 5.639 13.101 ( -9.008 -1.175 6.404) 11.114 14.047 ( 5.856 2.767 -6.530) 9.197 14.312 ( 6.082 -12.080 -4.899) 14.385 17.287 ( 1.605 -5.188 14.661) 15.634 18.697 ( 6.508 -3.065 -24.650) 25.678 19.749 ( -0.548 8.130 3.617) 8.915 20.108 ( 18.147 -0.050 -6.237) 19.189 20.513 ( 4.894 -2.441 -1.127) 5.584 22.196 ( -11.960 -6.604 2.727) 13.932 24.085 ( -0.517 12.359 0.688) 12.389 24.465 ( -8.126 -9.024 3.607) 12.668 ======================= Grid point 541 (268/432) ======================= q-point: (-0.45 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -6.616 11.610 12.403) 18.231 2.527 ( -5.708 15.158 12.858) 20.680 3.157 ( -5.214 -6.974 0.312) 8.713 3.341 ( 0.315 -7.577 3.263) 8.256 3.456 ( 1.595 -8.940 -3.313) 9.666 3.811 ( -2.979 -1.750 7.253) 8.034 4.241 ( 1.325 11.090 4.098) 11.897 4.644 ( 4.466 -11.084 -1.798) 12.084 5.188 ( 3.280 -5.946 12.354) 14.097 5.699 ( 1.596 0.407 9.305) 9.450 5.763 ( -9.779 -6.455 19.980) 23.162 6.232 ( -5.379 -4.276 5.168) 8.598 6.244 ( -4.096 -0.396 6.254) 7.486 6.474 ( -3.271 -6.500 -1.976) 7.540 7.482 ( -1.738 1.717 -7.353) 7.748 7.774 ( -4.693 -8.759 -4.850) 11.057 9.066 ( -2.574 -4.833 6.269) 8.324 9.173 ( -4.225 -0.939 13.500) 14.177 9.415 ( -21.030 -3.438 14.192) 25.602 10.016 ( 7.624 6.303 6.153) 11.650 11.259 ( 3.554 29.138 -6.902) 30.155 11.813 ( 6.249 0.136 -14.702) 15.975 12.217 ( 8.844 12.276 -2.016) 15.264 12.535 ( -5.297 3.120 -9.342) 11.183 12.919 ( -0.594 -5.971 5.409) 8.078 13.144 ( 2.042 -1.665 6.870) 7.358 13.989 ( 0.645 3.807 -5.899) 7.050 14.373 ( 0.786 -12.827 -10.118) 16.356 17.589 ( 6.192 -9.175 16.853) 20.163 18.524 ( 5.665 -7.291 -25.223) 26.860 19.644 ( -1.305 10.256 -4.040) 11.100 20.096 ( -3.774 -5.274 -8.583) 10.758 20.781 ( 26.664 4.348 4.533) 27.394 22.158 ( -11.044 -8.793 4.641) 14.860 23.975 ( -0.686 9.813 -1.781) 9.997 24.389 ( -14.419 -4.320 -1.044) 15.088 ======================= Grid point 542 (269/432) ======================= q-point: (-0.36 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -5.621 7.754 12.271) 15.566 2.503 ( -3.718 13.287 14.970) 20.359 3.119 ( -5.792 -4.944 -1.995) 7.872 3.418 ( -0.426 -5.672 -0.319) 5.697 3.528 ( 3.869 -8.140 -3.779) 9.773 3.934 ( 1.264 -2.110 10.606) 10.887 4.191 ( 2.462 10.220 0.149) 10.514 4.775 ( 7.307 -4.634 -1.741) 8.826 5.386 ( 0.807 -3.770 9.449) 10.206 5.816 ( -1.390 -1.070 11.049) 11.188 5.986 ( -4.925 -11.325 22.142) 25.353 6.285 ( -2.489 -2.685 8.541) 9.293 6.346 ( -2.081 -7.774 11.200) 13.791 6.505 ( 1.495 -3.556 1.059) 4.000 7.326 ( -6.195 1.560 -8.732) 10.819 7.767 ( -2.740 -11.385 -2.819) 12.044 9.148 ( -7.465 2.501 15.542) 17.422 9.303 ( -7.702 -7.090 12.510) 16.312 9.367 ( -8.993 -7.596 9.769) 15.297 10.092 ( 7.333 13.445 4.489) 15.959 11.001 ( 1.670 24.037 -4.749) 24.558 11.727 ( 7.066 -0.416 -15.300) 16.858 12.136 ( 8.400 19.443 -10.059) 23.447 12.281 ( -13.051 1.491 -7.643) 15.198 13.026 ( -1.107 -5.349 6.816) 8.735 13.308 ( 9.763 2.719 7.486) 12.599 13.871 ( -4.322 5.964 -3.008) 7.956 14.330 ( -1.702 -14.079 -15.062) 20.688 17.925 ( 8.138 -7.427 9.941) 14.840 18.420 ( 2.000 -13.490 -15.484) 20.633 19.508 ( 3.439 6.145 -7.811) 10.516 19.971 ( -8.395 -5.066 -6.680) 11.864 21.128 ( 27.255 10.432 4.160) 29.478 22.149 ( -10.505 -11.050 3.177) 15.574 23.873 ( 0.399 6.554 -3.304) 7.350 24.155 ( -17.728 1.450 -4.100) 18.253 ======================= Grid point 543 (270/432) ======================= q-point: (-0.27 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -1.694 4.496 12.703) 13.581 2.565 ( 0.288 9.137 16.366) 18.746 3.068 ( -3.013 -3.601 -2.626) 5.380 3.410 ( -2.323 -5.577 -5.702) 8.308 3.585 ( 4.424 -4.953 -5.889) 8.876 4.005 ( -5.036 -1.368 1.607) 5.460 4.230 ( 10.407 6.773 5.361) 13.524 4.851 ( 6.738 2.894 -2.784) 7.844 5.501 ( -1.085 0.062 9.496) 9.558 5.915 ( -5.554 -1.635 10.754) 12.214 6.235 ( -0.586 -5.457 8.657) 10.250 6.469 ( -3.727 -7.912 19.219) 21.116 6.543 ( -1.180 -10.356 17.041) 19.976 6.594 ( 5.632 -4.235 1.927) 7.305 7.117 ( -9.584 0.053 -6.075) 11.347 7.821 ( -2.958 -13.865 -0.511) 14.187 9.172 ( -11.689 3.876 15.902) 20.113 9.331 ( -13.435 -7.544 13.471) 20.467 9.579 ( 5.037 -10.746 7.557) 14.070 10.108 ( 8.250 18.173 5.563) 20.719 10.778 ( -2.201 19.041 -3.438) 19.474 11.640 ( 5.689 0.234 -15.559) 16.568 11.914 ( 10.973 20.617 -14.649) 27.569 12.031 ( -14.282 -0.634 -6.256) 15.605 13.133 ( -1.109 -4.652 6.785) 8.301 13.483 ( 8.948 8.189 6.869) 13.939 13.724 ( -4.423 6.818 -1.291) 8.228 14.241 ( -1.784 -14.705 -16.375) 22.081 18.113 ( 10.480 -2.753 -4.062) 11.572 18.425 ( -6.894 -12.797 -0.824) 14.559 19.475 ( 6.392 -2.571 -8.240) 10.741 19.823 ( -5.411 -1.465 -6.276) 8.415 21.386 ( 15.009 10.405 7.147) 19.612 22.147 ( -3.242 -9.623 -2.102) 10.370 23.793 ( -4.071 3.395 -4.002) 6.642 23.863 ( -9.910 5.584 -3.565) 11.921 ======================= Grid point 544 (271/432) ======================= q-point: (-0.18 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.038 1.559 13.654) 13.743 2.731 ( 6.214 4.852 14.625) 16.615 3.043 ( -0.332 -1.857 -2.107) 2.828 3.339 ( -2.905 -6.155 -8.170) 10.634 3.581 ( 4.249 -1.177 -9.039) 10.057 3.946 ( -3.553 -1.677 -3.001) 4.944 4.360 ( 6.995 6.469 4.184) 10.406 4.836 ( 5.296 9.066 -3.524) 11.076 5.594 ( -3.226 -0.012 11.294) 11.746 5.940 ( -9.382 -0.418 9.194) 13.143 6.285 ( -3.582 -0.464 2.716) 4.519 6.523 ( -9.020 -0.294 1.513) 9.151 6.718 ( 3.459 -5.702 1.694) 6.881 6.896 ( -3.044 -7.381 13.138) 15.373 7.115 ( 1.529 -11.301 21.898) 24.690 7.892 ( -5.383 -17.147 -0.809) 17.990 9.185 ( -8.342 1.587 14.197) 16.543 9.411 ( -9.000 -7.952 14.213) 18.608 9.737 ( -3.272 -3.132 2.952) 5.406 10.154 ( 8.192 15.643 7.621) 19.233 10.562 ( -0.398 13.078 -2.904) 13.403 11.498 ( -1.842 0.180 -14.897) 15.012 11.755 ( 2.478 14.303 -7.083) 16.152 11.851 ( 8.630 0.637 -10.715) 13.773 13.230 ( -1.580 -3.546 6.938) 7.950 13.453 ( -7.836 7.098 0.689) 10.595 13.703 ( 9.139 9.911 0.759) 13.503 14.177 ( 0.845 -12.708 -12.671) 17.966 18.193 ( 6.382 -2.569 -5.519) 8.820 18.383 ( -5.749 -3.968 -3.080) 7.634 19.416 ( -6.745 -2.299 -6.757) 9.820 19.786 ( 5.093 -1.546 -2.727) 5.980 21.484 ( -6.605 -2.184 6.131) 9.272 22.214 ( 15.170 1.656 -3.851) 15.738 23.561 ( -11.530 5.541 -2.520) 13.038 23.818 ( 4.610 1.356 -2.149) 5.264 ======================= Grid point 545 (272/432) ======================= q-point: (-0.09 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -1.135 -3.003 12.798) 13.194 2.959 ( 9.036 2.356 11.807) 15.053 3.035 ( 1.751 -0.351 -2.464) 3.043 3.274 ( -1.604 -6.902 -6.725) 9.769 3.511 ( 2.770 2.662 -9.733) 10.464 3.868 ( -2.261 -0.132 -5.692) 6.126 4.370 ( 3.092 8.900 -2.050) 9.642 4.800 ( 6.163 10.850 -0.124) 12.479 5.646 ( -9.769 -1.307 9.776) 13.882 5.895 ( -11.398 -0.195 5.974) 12.870 6.231 ( -6.468 1.046 -0.020) 6.552 6.366 ( -13.440 0.825 0.931) 13.497 6.797 ( 1.887 -3.301 -0.046) 3.802 6.992 ( -1.652 -3.524 5.899) 7.067 7.614 ( 3.640 -11.632 32.205) 34.434 7.944 ( -6.921 -19.893 -3.394) 21.334 9.251 ( -7.481 1.128 14.311) 16.188 9.539 ( -5.941 -8.187 11.210) 15.099 9.557 ( -13.586 11.414 -3.156) 18.023 10.235 ( 7.840 6.111 4.875) 11.071 10.560 ( 8.786 5.406 2.546) 10.625 11.213 ( -12.316 -3.350 -15.031) 19.719 11.737 ( 14.599 4.300 -4.138) 15.772 11.912 ( 16.555 3.921 -4.421) 17.578 13.250 ( -3.858 10.927 1.558) 11.692 13.347 ( -7.269 -8.361 4.828) 12.085 13.696 ( 3.981 8.446 -4.085) 10.192 14.188 ( 6.280 -4.920 -7.209) 10.753 18.091 ( -10.041 -0.456 -10.318) 14.405 18.389 ( 9.834 0.228 -2.239) 10.089 19.261 ( -7.872 1.183 -1.686) 8.137 19.805 ( -3.882 0.757 0.973) 4.073 21.423 ( -10.744 -12.676 -5.691) 17.564 22.427 ( 22.407 9.381 5.015) 24.804 23.383 ( -5.863 3.665 -2.163) 7.245 23.873 ( 6.102 -0.456 -0.080) 6.119 ======================= Grid point 550 (273/432) ======================= q-point: ( 0.36 -0.64 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -3.265 -0.000 7.980) 8.622 2.722 ( -1.904 -0.000 15.882) 15.996 3.022 ( 2.799 0.000 -1.221) 3.053 3.116 ( -4.855 -0.000 1.861) 5.199 3.388 ( -3.159 -0.000 -3.936) 5.047 3.822 ( -11.247 -0.000 6.189) 12.838 4.360 ( -3.916 -0.000 6.971) 7.995 4.432 ( 1.952 0.000 -5.081) 5.443 4.912 ( 4.865 0.000 12.180) 13.115 5.519 ( 4.359 0.000 7.107) 8.338 5.670 ( -13.536 -0.000 18.249) 22.722 6.212 ( -4.389 -0.000 8.563) 9.622 6.363 ( -16.707 -0.000 -0.370) 16.712 6.436 ( -3.756 -0.000 -8.350) 9.156 7.585 ( 3.449 0.000 -7.749) 8.482 7.846 ( -13.226 -0.000 -5.561) 14.348 8.932 ( -0.392 -0.000 -0.890) 0.972 9.081 ( -6.744 -0.000 17.493) 18.748 9.506 ( -20.221 -0.000 14.188) 24.702 9.889 ( 8.205 0.000 7.690) 11.246 11.807 ( 5.668 0.000 -8.007) 9.810 11.892 ( 6.438 0.000 -11.198) 12.917 12.274 ( 15.598 0.000 -6.978) 17.087 12.544 ( -7.376 -0.000 0.608) 7.401 12.818 ( 7.870 0.000 -0.396) 7.880 13.085 ( -12.194 -0.000 6.754) 13.940 14.070 ( 10.729 0.000 -16.469) 19.655 14.204 ( 1.850 0.000 6.023) 6.300 17.243 ( 0.991 0.000 13.758) 13.794 18.670 ( 5.988 0.000 -25.332) 26.030 19.826 ( -1.028 -0.000 6.658) 6.737 20.106 ( 15.877 0.000 -8.045) 17.798 20.486 ( 8.432 0.000 -2.604) 8.825 22.143 ( -11.314 -0.000 3.032) 11.713 24.261 ( -2.617 -0.000 -1.264) 2.907 24.317 ( -6.723 -0.000 6.424) 9.299 ======================= Grid point 552 (274/432) ======================= q-point: (-0.55 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -7.960 5.293 8.820) 13.007 2.792 ( -0.990 14.788 9.517) 17.613 3.056 ( -3.293 -3.761 1.952) 5.366 3.144 ( -3.798 -13.855 3.547) 14.797 3.357 ( 3.785 -2.592 -3.515) 5.779 3.824 ( -2.384 1.520 10.147) 10.534 4.383 ( -0.238 4.965 4.263) 6.548 4.483 ( 7.049 -6.301 -1.048) 9.512 5.116 ( 2.384 -2.330 13.428) 13.835 5.628 ( -5.170 -3.673 9.834) 11.701 5.761 ( -7.092 1.391 21.033) 22.240 6.198 ( -8.295 -0.008 4.409) 9.394 6.221 ( -6.884 -2.018 4.455) 8.444 6.397 ( 2.272 -2.409 -0.399) 3.336 7.532 ( 1.834 3.841 -8.042) 9.099 7.646 ( -6.515 -6.217 -7.911) 11.987 8.980 ( 2.265 -3.096 4.482) 5.899 9.172 ( -9.271 -0.197 16.124) 18.600 9.403 ( -21.330 0.460 15.598) 26.429 10.082 ( 8.268 1.838 8.000) 11.651 11.671 ( 4.650 16.506 -13.303) 21.704 11.815 ( 5.505 -0.071 -14.599) 15.603 12.350 ( 2.368 6.128 0.707) 6.608 12.492 ( -1.054 -9.013 -6.444) 11.130 12.928 ( 3.977 7.423 5.008) 9.798 13.074 ( 0.313 -6.804 6.215) 9.220 14.009 ( 6.929 -0.561 -14.264) 15.868 14.233 ( -5.681 -3.605 0.679) 6.762 17.482 ( 5.831 -3.303 17.137) 18.401 18.441 ( 4.693 -2.524 -26.836) 27.359 19.801 ( -3.271 7.501 -1.164) 8.266 20.000 ( -5.893 -5.531 -12.067) 14.523 20.823 ( 32.164 1.081 3.760) 32.401 22.068 ( -9.918 -2.451 4.930) 11.344 24.132 ( -4.923 8.388 -2.007) 9.931 24.292 ( -11.255 -6.615 0.818) 13.081 ======================= Grid point 553 (275/432) ======================= q-point: (-0.45 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -6.343 6.145 8.684) 12.386 2.740 ( -2.214 14.781 9.088) 17.492 3.041 ( -5.047 -4.089 -0.387) 6.507 3.259 ( -0.744 -13.190 -0.057) 13.211 3.423 ( 5.987 -3.506 -2.409) 7.344 3.929 ( -2.808 0.760 13.313) 13.627 4.346 ( 2.080 7.583 -1.631) 8.030 4.675 ( 12.808 -6.172 -0.098) 14.218 5.318 ( 0.448 -3.696 13.683) 14.180 5.708 ( -6.160 -8.711 9.297) 14.151 5.922 ( -6.901 1.580 25.391) 26.360 6.240 ( -1.025 -3.259 9.498) 10.094 6.245 ( -2.131 -3.635 6.247) 7.535 6.466 ( 2.369 -1.255 3.238) 4.204 7.355 ( -7.506 1.823 -9.174) 11.993 7.615 ( 3.828 -6.602 -7.393) 10.625 9.135 ( 3.360 -2.761 10.145) 11.038 9.218 ( -14.491 -3.210 16.371) 22.098 9.320 ( -16.093 0.424 14.483) 21.655 10.248 ( 8.377 5.542 7.087) 12.293 11.391 ( 1.958 20.741 -13.889) 25.038 11.721 ( 6.635 -0.324 -15.237) 16.622 12.251 ( -11.962 0.132 -1.214) 12.024 12.436 ( 7.335 8.843 -13.230) 17.523 12.957 ( -4.165 -0.517 9.081) 10.004 13.309 ( 14.324 -3.154 6.012) 15.851 13.929 ( 0.718 0.779 -8.350) 8.417 14.146 ( -9.208 -6.648 -5.546) 12.639 17.814 ( 8.149 -5.241 16.355) 19.009 18.255 ( 4.079 -6.306 -20.121) 21.477 19.615 ( -2.877 6.443 -10.518) 12.665 19.874 ( -6.667 -6.176 -5.480) 10.612 21.268 ( 33.354 5.937 2.574) 33.976 22.016 ( -10.305 -5.015 3.129) 11.880 23.977 ( -4.577 5.581 -3.478) 8.012 24.148 ( -14.388 -1.864 -2.280) 14.686 ======================= Grid point 554 (276/432) ======================= q-point: (-0.36 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 0.458 5.784 9.193) 10.871 2.721 ( -2.430 9.373 11.087) 14.720 3.014 ( -1.622 -2.726 -0.650) 3.238 3.307 ( -2.275 -7.017 -3.484) 8.158 3.500 ( 7.697 -4.406 -5.537) 10.456 3.966 ( -11.706 -2.836 6.404) 13.641 4.353 ( 10.843 7.019 0.441) 12.924 4.864 ( 11.886 -0.960 -1.374) 12.004 5.488 ( -1.194 -1.711 12.281) 12.457 5.822 ( -3.361 -9.341 6.380) 11.801 6.145 ( -6.813 -2.879 24.756) 25.837 6.374 ( 2.261 -5.594 11.317) 12.825 6.402 ( -0.811 -4.390 13.379) 14.105 6.547 ( 2.238 -1.809 4.298) 5.172 7.121 ( -11.082 0.265 -8.249) 13.818 7.652 ( 5.088 -6.512 -6.431) 10.471 9.208 ( -22.185 -2.761 19.667) 29.776 9.242 ( -8.485 0.361 13.814) 16.216 9.433 ( 5.809 -6.753 9.566) 13.071 10.361 ( 8.086 11.217 5.816) 15.000 11.087 ( -1.349 17.339 -11.393) 20.791 11.640 ( 6.756 -0.282 -15.093) 16.538 12.023 ( -13.448 1.763 -6.511) 15.045 12.258 ( 8.254 17.064 -14.143) 23.651 13.033 ( -3.945 -5.898 7.509) 10.331 13.582 ( 13.114 1.894 6.241) 14.646 13.822 ( -4.664 4.691 0.016) 6.615 14.010 ( -6.210 -11.252 -12.231) 17.741 18.074 ( 9.896 -1.651 -0.409) 10.041 18.235 ( -0.282 -9.513 2.217) 9.772 19.437 ( -0.695 -1.801 -11.891) 12.047 19.787 ( -2.366 -2.394 -5.277) 6.259 21.569 ( 12.873 11.004 3.634) 17.321 22.006 ( 4.804 -7.590 -1.994) 9.201 23.838 ( -6.558 2.062 -4.271) 8.093 23.935 ( -10.532 3.020 -2.415) 11.220 ======================= Grid point 555 (277/432) ======================= q-point: (-0.27 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 1.158 5.129 9.878) 11.191 2.798 ( 3.549 2.775 10.610) 11.526 3.029 ( 0.839 -0.081 1.379) 1.616 3.256 ( -2.248 -3.430 -6.545) 7.724 3.550 ( 7.487 -2.205 -8.487) 11.530 3.881 ( -10.521 -5.746 0.487) 11.998 4.464 ( 9.707 5.437 1.861) 11.281 4.953 ( 8.609 4.911 -3.247) 10.429 5.601 ( -3.414 0.330 11.710) 12.202 5.890 ( -6.894 -6.086 5.066) 10.500 6.271 ( -6.084 -0.830 9.840) 11.599 6.512 ( -7.746 -0.661 6.768) 10.308 6.602 ( 4.497 -8.341 5.580) 10.997 6.758 ( 0.952 -7.559 13.386) 15.402 6.967 ( -3.942 -5.716 9.994) 12.169 7.692 ( 3.376 -6.991 -6.450) 10.093 9.183 ( -16.789 -2.290 17.233) 24.168 9.301 ( -10.409 -4.206 15.616) 19.233 9.663 ( 3.987 -4.482 8.189) 10.150 10.403 ( 5.704 13.475 3.957) 15.158 10.805 ( -3.818 13.635 -8.672) 16.604 11.515 ( -2.289 2.204 -12.813) 13.201 11.806 ( -1.018 1.678 -8.897) 9.111 12.084 ( 11.877 16.743 -12.037) 23.797 13.113 ( -4.840 -8.446 5.761) 11.311 13.573 ( -11.201 5.811 1.925) 12.765 13.859 ( 3.389 4.913 -1.804) 6.235 13.956 ( 9.054 -10.023 -5.027) 14.412 18.158 ( 5.804 -1.473 -2.737) 6.584 18.324 ( -2.028 -3.072 2.794) 4.622 19.345 ( -1.995 -5.516 -8.089) 9.992 19.758 ( 5.060 -1.676 -4.789) 7.165 21.485 ( -14.881 1.878 -0.052) 14.999 22.244 ( 26.737 1.821 -1.811) 26.860 23.639 ( -11.544 3.769 -2.818) 12.466 23.839 ( -0.080 0.982 -1.310) 1.639 ======================= Grid point 556 (278/432) ======================= q-point: (-0.18 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -4.421 0.155 10.751) 11.626 2.989 ( 10.250 1.046 7.668) 12.843 3.053 ( 0.302 1.762 2.310) 2.921 3.185 ( 0.182 -2.769 -6.732) 7.282 3.535 ( 6.266 0.300 -10.532) 12.259 3.820 ( -6.286 -5.423 -0.562) 8.321 4.515 ( 5.984 7.445 -2.188) 9.799 4.955 ( 6.241 7.608 -2.369) 10.122 5.652 ( -8.239 1.468 10.072) 13.095 5.865 ( -10.435 -3.685 3.873) 11.724 6.251 ( -7.009 1.252 1.786) 7.341 6.382 ( -14.381 1.385 0.995) 14.482 6.742 ( 3.908 -3.461 0.355) 5.232 6.864 ( -5.134 -11.452 8.789) 15.322 7.406 ( 8.521 -12.350 28.377) 32.100 7.704 ( 1.684 -8.135 -7.801) 11.396 9.215 ( -11.567 -4.336 15.308) 19.671 9.396 ( -9.687 -7.305 14.279) 18.737 9.725 ( -6.947 6.762 4.442) 10.664 10.370 ( 2.068 9.455 -0.203) 9.680 10.634 ( 2.721 3.025 -4.587) 6.132 11.244 ( -11.775 7.647 -8.661) 16.497 11.777 ( 13.483 1.581 -9.831) 16.761 12.052 ( 16.684 11.010 -4.920) 20.586 13.177 ( -7.956 -10.959 5.439) 14.594 13.404 ( -8.111 6.819 1.550) 10.709 13.769 ( -3.102 -1.979 -7.727) 8.558 14.158 ( 15.763 2.987 1.188) 16.088 18.099 ( -8.752 1.417 -6.552) 11.024 18.383 ( 8.601 -0.926 0.305) 8.656 19.272 ( -2.267 0.015 -3.313) 4.014 19.804 ( 2.172 -1.180 -0.909) 2.634 21.255 ( -15.335 -7.083 -6.838) 18.223 22.563 ( 27.015 6.800 2.189) 27.944 23.450 ( -8.078 4.360 -1.824) 9.359 23.859 ( 2.939 -1.280 1.167) 3.412 ======================= Grid point 557 (279/432) ======================= q-point: (-0.09 -0.64 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -10.036 -4.872 9.939) 14.941 3.039 ( -1.781 1.384 -0.710) 2.365 3.146 ( 1.440 -3.113 0.301) 3.443 3.219 ( 11.191 0.193 0.532) 11.205 3.475 ( 3.319 2.734 -7.629) 8.757 3.785 ( -0.671 -0.546 -2.025) 2.202 4.463 ( 5.815 9.940 -5.576) 12.795 4.951 ( 4.153 6.534 -0.287) 7.747 5.560 ( -16.486 2.925 5.062) 17.492 5.779 ( -11.877 -1.175 2.253) 12.146 6.126 ( -9.367 0.589 -1.014) 9.440 6.222 ( -14.098 0.278 4.311) 14.745 6.796 ( 1.538 -2.101 -0.924) 2.763 6.997 ( -1.997 -8.006 7.094) 10.882 7.703 ( 1.985 -10.251 -9.511) 14.124 7.912 ( 4.421 -10.823 25.701) 28.235 9.266 ( -15.876 -1.367 13.649) 20.981 9.444 ( -5.489 -0.253 1.181) 5.621 9.547 ( -11.227 5.898 8.806) 15.440 10.315 ( -2.623 4.185 -4.659) 6.790 10.682 ( 4.699 -13.376 -4.565) 14.894 11.000 ( -0.839 12.066 1.825) 12.232 11.847 ( 16.198 0.182 -11.800) 20.041 12.221 ( 19.721 5.638 4.553) 21.010 13.189 ( -9.753 -6.225 3.048) 11.965 13.318 ( -3.399 3.030 4.557) 6.442 13.646 ( -4.555 0.078 -6.430) 7.881 14.312 ( 14.934 7.830 -1.736) 16.951 17.820 ( -11.543 1.725 -13.810) 18.082 18.543 ( 9.487 0.673 6.214) 11.361 19.223 ( 1.344 4.161 -1.076) 4.503 19.751 ( -10.521 3.828 2.640) 11.503 21.093 ( -4.559 -13.504 -13.347) 19.526 22.869 ( 19.643 9.028 8.249) 23.138 23.315 ( -2.771 1.772 -4.096) 5.253 23.957 ( 4.926 -1.540 4.607) 6.918 ======================= Grid point 563 (280/432) ======================= q-point: ( 0.45 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -6.380 -0.000 6.989) 9.463 2.952 ( -2.319 -0.000 2.419) 3.351 2.997 ( -3.729 -0.000 0.383) 3.748 3.060 ( 0.071 0.000 5.002) 5.003 3.395 ( 5.740 0.000 -1.271) 5.879 3.938 ( -5.828 -0.000 13.532) 14.733 4.418 ( 3.700 0.000 -3.834) 5.328 4.612 ( 14.299 0.000 1.951) 14.432 5.284 ( -0.191 -0.000 15.146) 15.148 5.628 ( -8.744 -0.000 10.926) 13.994 5.944 ( -6.236 -0.000 23.912) 24.712 6.203 ( -1.957 -0.000 5.510) 5.847 6.218 ( -0.896 -0.000 9.335) 9.378 6.457 ( 2.683 0.000 3.862) 4.703 7.375 ( -10.295 -0.000 -9.642) 14.105 7.556 ( 8.958 0.000 -8.783) 12.545 9.107 ( 6.278 0.000 9.297) 11.218 9.190 ( -18.054 -0.000 18.426) 25.797 9.329 ( -16.773 -0.000 14.434) 22.129 10.292 ( 8.703 0.000 7.821) 11.701 11.595 ( 3.177 0.000 -20.645) 20.888 11.714 ( 5.427 0.000 -14.550) 15.529 12.250 ( -12.672 -0.000 -1.477) 12.758 12.480 ( 6.691 0.000 -4.936) 8.314 12.996 ( -8.119 -0.000 8.081) 11.455 13.250 ( 20.244 0.000 2.108) 20.354 13.925 ( 4.848 0.000 -12.167) 13.097 14.101 ( -14.355 -0.000 1.345) 14.418 17.767 ( 8.228 0.000 18.068) 19.853 18.203 ( 4.740 0.000 -21.387) 21.906 19.694 ( -9.245 -0.000 -14.589) 17.271 19.797 ( -2.049 -0.000 -1.970) 2.842 21.319 ( 36.775 0.000 1.872) 36.822 21.975 ( -11.298 -0.000 3.195) 11.741 24.038 ( -8.156 -0.000 -5.050) 9.593 24.118 ( -11.429 -0.000 -0.085) 11.429 ======================= Grid point 565 (281/432) ======================= q-point: (-0.45 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 2.104 2.935 7.374) 8.211 2.864 ( -6.022 6.533 3.184) 9.439 2.979 ( -0.200 -1.293 0.345) 1.353 3.188 ( 2.374 -5.784 2.571) 6.760 3.451 ( 7.304 -1.432 -4.210) 8.551 3.925 ( -16.195 -1.543 7.804) 18.044 4.444 ( 10.731 3.274 -3.999) 11.911 4.838 ( 14.715 -1.384 0.925) 14.809 5.455 ( -1.531 -1.565 14.757) 14.919 5.680 ( -4.418 -5.278 8.539) 10.968 6.137 ( -7.778 0.702 25.139) 26.324 6.291 ( 0.844 -3.002 8.131) 8.709 6.372 ( 3.598 -0.635 13.425) 13.913 6.528 ( 0.228 -0.525 4.706) 4.741 7.123 ( -11.510 0.076 -9.054) 14.644 7.588 ( 10.566 -1.600 -9.433) 14.255 9.153 ( -24.486 -1.949 22.715) 33.456 9.280 ( -9.599 2.427 12.324) 15.808 9.347 ( 5.616 -3.557 11.282) 13.094 10.479 ( 8.488 3.285 6.907) 11.426 11.316 ( -1.560 8.281 -21.176) 22.791 11.630 ( 6.343 -0.753 -13.897) 15.294 12.065 ( -10.618 2.381 -3.263) 11.361 12.443 ( 5.471 4.361 -11.960) 13.856 12.984 ( -6.531 0.337 7.538) 9.979 13.533 ( 17.828 -4.984 -2.844) 18.729 13.879 ( -2.462 2.070 0.632) 3.278 13.906 ( -12.059 -2.083 -1.792) 12.368 18.064 ( 8.226 0.618 6.585) 10.556 18.115 ( 5.103 -4.701 -1.385) 7.075 19.417 ( -6.692 -0.569 -13.691) 15.250 19.755 ( 0.735 -1.077 -4.843) 5.016 21.741 ( 12.683 9.332 0.639) 15.760 21.882 ( 8.739 -7.641 -1.329) 11.684 23.861 ( -9.121 0.673 -4.530) 10.206 23.967 ( -9.686 0.932 -1.364) 9.826 ======================= Grid point 566 (282/432) ======================= q-point: (-0.36 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 4.619 6.998 6.766) 10.775 2.819 ( -1.624 -0.202 6.540) 6.742 3.015 ( 1.147 -1.987 1.141) 2.562 3.238 ( 2.943 0.958 -2.389) 3.910 3.519 ( 8.553 -1.215 -5.257) 10.113 3.777 ( -16.560 -5.728 1.574) 17.594 4.533 ( 9.937 2.747 -0.957) 10.354 5.002 ( 11.178 1.226 -2.298) 11.478 5.594 ( -2.962 -0.995 12.300) 12.691 5.760 ( -4.956 -7.574 4.886) 10.286 6.269 ( -8.189 0.463 15.392) 17.441 6.447 ( -0.268 -6.344 9.530) 11.452 6.537 ( -1.073 1.333 5.959) 6.199 6.659 ( 2.752 -4.558 11.377) 12.561 6.914 ( -7.092 -1.327 2.055) 7.502 7.629 ( 10.099 -1.491 -9.471) 13.925 9.123 ( -24.331 -3.574 23.421) 33.961 9.271 ( -10.861 -0.374 12.823) 16.808 9.603 ( 7.281 -2.503 11.351) 13.716 10.582 ( 4.074 7.522 3.047) 9.081 10.974 ( -5.791 6.216 -18.277) 20.155 11.565 ( 5.508 2.981 -10.293) 12.049 11.872 ( -4.069 5.776 -5.408) 8.898 12.313 ( 8.919 9.229 -14.654) 19.480 12.991 ( -7.476 -4.790 5.780) 10.594 13.631 ( -6.936 -0.409 -0.458) 6.964 13.704 ( -6.408 -9.304 -8.143) 13.926 14.017 ( 13.462 5.504 8.333) 16.762 18.143 ( 7.588 -0.417 -0.192) 7.602 18.282 ( -0.792 -1.849 6.405) 6.714 19.258 ( -0.097 -4.225 -8.523) 9.513 19.733 ( 4.913 -1.110 -6.184) 7.975 21.526 ( -17.837 2.336 -5.526) 18.819 22.271 ( 33.305 1.192 -1.042) 33.343 23.687 ( -10.133 1.952 -2.087) 10.529 23.850 ( -4.807 0.338 -0.797) 4.884 ======================= Grid point 567 (283/432) ======================= q-point: (-0.27 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -8.285 3.222 8.087) 12.018 2.995 ( 11.174 -0.374 6.614) 12.990 3.047 ( 0.065 -1.886 1.161) 2.216 3.216 ( 4.012 5.342 -4.829) 8.244 3.526 ( 4.623 -1.340 -9.444) 10.599 3.706 ( -6.662 -7.154 3.525) 10.391 4.604 ( 7.027 3.307 -2.416) 8.133 5.054 ( 6.570 4.045 -4.405) 8.884 5.672 ( -5.644 0.424 9.739) 11.264 5.773 ( -9.130 -6.683 3.260) 11.774 6.272 ( -8.514 1.370 5.279) 10.111 6.418 ( -13.754 2.754 0.905) 14.057 6.653 ( 0.760 -9.930 6.027) 11.641 6.690 ( -2.649 -4.761 2.259) 5.898 7.228 ( 11.389 -8.341 23.835) 27.702 7.647 ( 8.232 -0.209 -9.643) 12.681 9.126 ( -19.972 -5.567 20.566) 29.203 9.306 ( -11.183 -3.666 14.827) 18.930 9.795 ( 1.584 2.343 9.448) 9.862 10.519 ( -1.757 7.581 -4.325) 8.903 10.663 ( -7.413 0.675 -14.388) 16.200 11.444 ( -2.065 14.498 -1.955) 14.774 11.805 ( 11.192 1.839 -9.028) 14.497 12.234 ( 13.877 9.473 -9.370) 19.238 12.997 ( -10.226 -9.654 4.910) 14.895 13.486 ( -11.065 3.188 3.916) 12.163 13.652 ( -2.218 -9.704 -9.286) 13.613 14.256 ( 16.387 6.561 6.428) 18.786 18.135 ( -8.508 2.662 -5.258) 10.350 18.359 ( 7.970 -1.892 3.695) 8.987 19.266 ( 4.116 -0.570 -1.071) 4.291 19.769 ( 6.471 -2.589 -3.891) 7.982 21.184 ( -18.535 -1.834 -10.563) 21.413 22.651 ( 30.425 3.661 -1.471) 30.679 23.528 ( -8.590 4.931 0.913) 9.947 23.828 ( -0.806 -2.481 1.965) 3.266 ======================= Grid point 568 (284/432) ======================= q-point: (-0.18 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -13.567 -2.270 10.144) 17.091 3.018 ( -9.084 -3.739 1.541) 9.944 3.165 ( 4.322 4.547 -3.637) 7.251 3.237 ( 14.793 2.099 2.651) 15.174 3.488 ( 5.167 -1.200 -10.313) 11.597 3.757 ( 0.299 -2.216 4.441) 4.972 4.598 ( 5.666 5.819 -5.629) 9.882 5.024 ( 1.449 2.982 -4.153) 5.314 5.626 ( -11.571 3.288 4.622) 12.886 5.739 ( -9.720 -3.363 4.176) 11.101 6.144 ( -9.966 1.395 -2.705) 10.421 6.236 ( -14.887 1.908 5.104) 15.853 6.737 ( -2.406 -6.423 2.688) 7.367 6.822 ( 2.094 -9.865 4.400) 11.003 7.627 ( 7.433 0.134 -9.931) 12.406 7.727 ( 10.954 -10.605 20.255) 25.352 9.164 ( -17.742 -7.845 17.635) 26.217 9.368 ( -9.112 -5.179 11.744) 15.741 9.762 ( -10.279 13.281 6.205) 17.904 10.330 ( -9.353 -4.244 -12.880) 16.473 10.526 ( 3.995 -1.551 -4.222) 6.016 11.275 ( -1.639 18.559 3.444) 18.947 11.855 ( 15.175 0.519 -12.453) 19.637 12.325 ( 18.158 6.479 0.430) 19.284 13.011 ( -11.093 -11.907 6.225) 17.423 13.400 ( -4.528 4.283 3.547) 7.171 13.588 ( -4.154 -6.372 -6.162) 9.789 14.458 ( 16.042 8.621 2.561) 18.391 17.849 ( -12.268 1.655 -14.472) 19.044 18.554 ( 9.321 0.616 8.406) 12.567 19.307 ( 6.335 5.787 -0.058) 8.581 19.796 ( -3.867 1.088 1.063) 4.156 20.894 ( -8.878 -9.827 -14.693) 19.781 22.965 ( 24.907 2.229 -1.742) 25.067 23.396 ( -6.844 8.058 2.177) 10.794 23.918 ( 3.031 -3.327 6.846) 8.192 ======================= Grid point 569 (285/432) ======================= q-point: (-0.09 -0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -16.976 -5.104 11.459) 21.108 2.909 ( -12.368 -5.843 -2.883) 13.979 3.175 ( 5.024 3.439 -0.623) 6.120 3.368 ( 5.623 3.126 -0.604) 6.462 3.462 ( 4.426 0.018 -3.579) 5.693 3.836 ( 5.818 2.910 2.082) 6.830 4.551 ( 7.580 7.175 -7.180) 12.669 4.942 ( -7.011 -1.635 -3.141) 7.854 5.460 ( -10.626 9.520 2.049) 14.414 5.644 ( -11.477 0.872 1.989) 11.680 5.987 ( -10.732 -0.126 -0.703) 10.755 6.107 ( -12.273 0.283 5.604) 13.495 6.757 ( -1.993 -3.428 -1.778) 4.346 6.980 ( 0.039 -9.713 6.005) 11.420 7.610 ( 9.310 -1.223 -11.714) 15.013 8.116 ( 3.058 -9.095 14.762) 17.607 9.140 ( -21.833 -2.867 11.644) 24.910 9.423 ( -2.917 -3.268 5.546) 7.068 9.567 ( -11.479 10.926 8.458) 17.963 10.099 ( -10.794 -6.186 -10.612) 16.352 10.616 ( 6.632 -6.073 -1.246) 9.078 11.220 ( 4.201 10.869 6.885) 13.535 11.894 ( 14.526 -0.990 -14.300) 20.408 12.565 ( 17.833 2.984 4.774) 18.700 13.048 ( -9.417 -10.166 6.628) 15.361 13.367 ( -1.532 4.695 4.102) 6.420 13.515 ( -4.017 -2.099 -3.076) 5.478 14.576 ( 15.003 12.043 -2.423) 19.390 17.512 ( -11.813 0.202 -13.613) 18.025 18.774 ( 9.839 1.321 9.398) 13.669 19.328 ( 7.072 9.091 -1.274) 11.588 19.656 ( -13.953 4.863 2.281) 14.951 20.798 ( 2.739 -14.482 -14.843) 20.918 23.230 ( 18.122 -1.122 0.381) 18.161 23.247 ( -6.828 9.430 -0.422) 11.650 24.107 ( 6.234 -0.860 11.469) 13.082 ======================= Grid point 576 (286/432) ======================= q-point: (-0.45 0.55 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 11.948 0.000 7.108) 13.903 2.805 ( -10.180 -0.000 2.681) 10.527 2.989 ( 1.842 0.000 0.793) 2.005 3.253 ( 6.030 0.000 -0.614) 6.061 3.510 ( 9.175 0.000 -2.494) 9.508 3.722 ( -19.738 -0.000 1.244) 19.778 4.556 ( 9.484 0.000 -2.261) 9.750 5.009 ( 11.789 0.000 -1.550) 11.890 5.582 ( -2.558 -0.000 12.619) 12.876 5.690 ( -4.202 -0.000 5.662) 7.051 6.275 ( -8.461 -0.000 16.511) 18.552 6.390 ( 0.708 0.000 8.403) 8.433 6.565 ( -1.477 -0.000 4.542) 4.776 6.608 ( 2.693 0.000 13.124) 13.397 6.905 ( -7.608 -0.000 0.005) 7.608 7.620 ( 12.541 0.000 -10.584) 16.410 9.091 ( -26.549 -0.000 25.629) 36.902 9.269 ( -11.843 -0.000 11.841) 16.747 9.582 ( 8.351 0.000 12.545) 15.070 10.646 ( 3.911 0.000 3.601) 5.317 11.023 ( -7.661 -0.000 -23.127) 24.363 11.592 ( 10.532 0.000 -9.993) 14.519 11.940 ( -5.885 -0.000 -3.159) 6.679 12.380 ( 6.752 0.000 -14.547) 16.038 12.962 ( -8.232 -0.000 4.891) 9.576 13.563 ( 5.961 0.000 -10.803) 12.338 13.674 ( -18.702 -0.000 3.696) 19.064 14.064 ( 12.808 0.000 8.733) 15.502 18.141 ( 8.909 0.000 0.800) 8.945 18.266 ( -0.806 -0.000 7.683) 7.725 19.220 ( 0.178 0.000 -8.729) 8.731 19.724 ( 4.904 0.000 -6.660) 8.271 21.548 ( -18.399 -0.000 -7.661) 19.930 22.281 ( 35.430 0.000 -0.893) 35.441 23.703 ( -9.134 -0.000 -1.552) 9.265 23.852 ( -7.013 -0.000 -0.697) 7.047 ======================= Grid point 578 (287/432) ======================= q-point: (-0.36 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -13.415 2.686 5.984) 14.933 2.976 ( 15.337 -1.412 5.578) 16.381 3.025 ( 0.249 -0.530 0.955) 1.120 3.302 ( 10.024 3.621 -7.312) 12.925 3.491 ( -10.602 -2.256 -2.848) 11.208 3.622 ( 3.024 -2.281 3.486) 5.148 4.634 ( 6.703 0.639 -2.207) 7.086 5.090 ( 6.721 0.699 -4.938) 8.369 5.666 ( -4.264 -0.632 8.893) 9.882 5.682 ( -7.550 -3.058 3.775) 8.978 6.295 ( -8.621 1.072 6.419) 10.802 6.456 ( -8.900 0.878 5.815) 10.667 6.533 ( -9.012 -2.849 0.610) 9.471 6.631 ( 2.505 -2.457 2.318) 4.205 7.135 ( 11.888 -2.727 20.397) 23.766 7.657 ( 11.962 0.707 -10.526) 15.949 9.055 ( -25.174 -2.371 24.859) 35.458 9.266 ( -12.364 -1.146 14.416) 19.026 9.818 ( 5.515 0.600 11.840) 13.075 10.612 ( -7.874 3.489 -14.724) 17.058 10.662 ( -6.056 -0.686 -9.544) 11.324 11.650 ( 12.292 7.520 -5.047) 15.268 11.839 ( -0.365 1.955 -3.383) 3.924 12.328 ( 11.582 1.674 -11.917) 16.702 12.892 ( -11.129 -2.528 4.096) 12.126 13.504 ( -3.036 -4.317 -6.407) 8.301 13.522 ( -10.050 -0.484 3.655) 10.705 14.337 ( 15.076 2.628 7.777) 17.166 18.177 ( -9.999 1.760 -6.887) 12.269 18.327 ( 9.035 -1.404 7.683) 11.943 19.257 ( 8.854 -0.295 1.977) 9.076 19.733 ( 7.581 -1.320 -6.484) 10.063 21.173 ( -19.438 -0.013 -13.594) 23.720 22.689 ( 31.795 1.048 -4.346) 32.108 23.602 ( -6.853 3.192 4.533) 8.815 23.784 ( -4.522 -2.201 1.369) 5.212 ======================= Grid point 579 (288/432) ======================= q-point: (-0.27 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -16.066 0.146 9.446) 18.638 2.949 ( -14.700 -4.002 -0.176) 15.236 3.210 ( 10.707 0.896 -1.479) 10.846 3.314 ( 12.946 5.719 -0.500) 14.162 3.451 ( 5.375 -2.312 -7.140) 9.232 3.727 ( 2.590 -1.195 6.715) 7.295 4.660 ( 4.875 2.018 -4.515) 6.944 5.058 ( 0.105 0.893 -7.108) 7.164 5.634 ( -9.041 -1.815 3.779) 9.965 5.691 ( -6.912 -1.897 5.927) 9.301 6.168 ( -10.738 1.337 -3.395) 11.341 6.295 ( -13.707 4.978 5.326) 15.525 6.578 ( -6.240 -9.589 7.672) 13.775 6.727 ( 6.588 -3.264 -1.347) 7.475 7.569 ( 14.243 -6.711 15.929) 22.397 7.669 ( 10.358 2.705 -9.564) 14.355 9.048 ( -22.861 -5.347 21.973) 32.157 9.297 ( -12.077 -3.085 15.040) 19.534 9.935 ( -3.892 7.083 9.412) 12.406 10.239 ( -13.646 -4.471 -18.796) 23.654 10.566 ( 3.201 3.482 -4.380) 6.447 11.577 ( -2.099 16.408 1.885) 16.648 11.854 ( 12.464 -1.124 -11.398) 16.927 12.410 ( 16.841 2.568 -2.802) 17.264 12.845 ( -10.908 -6.477 7.122) 14.549 13.438 ( -4.695 -2.249 0.326) 5.216 13.474 ( -4.497 -3.421 -0.495) 5.672 14.576 ( 15.204 5.020 4.725) 16.694 17.872 ( -12.945 0.984 -15.445) 20.176 18.563 ( 9.478 0.388 10.536) 14.177 19.406 ( 9.924 5.523 3.923) 12.016 19.784 ( 3.502 -2.097 -1.830) 4.473 20.775 ( -13.968 -4.376 -18.056) 23.244 22.968 ( 23.708 -0.835 -9.572) 25.581 23.558 ( -3.993 10.315 8.168) 13.750 23.842 ( 0.886 -5.858 8.329) 10.221 ======================= Grid point 580 (289/432) ======================= q-point: (-0.18 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -18.492 -2.212 11.942) 22.123 2.773 ( -17.871 -9.431 -1.235) 20.245 3.249 ( 4.971 4.332 -2.553) 7.070 3.431 ( 2.282 -1.192 -3.863) 4.642 3.472 ( 11.618 6.884 1.186) 13.557 3.864 ( 6.182 0.345 5.347) 8.181 4.635 ( 5.212 3.098 -6.632) 8.986 4.922 ( -7.710 -0.656 -6.908) 10.373 5.571 ( -6.300 3.328 2.696) 7.618 5.650 ( -8.444 -0.310 3.277) 9.063 5.990 ( -11.128 0.310 -0.364) 11.138 6.143 ( -11.938 4.258 3.766) 13.222 6.660 ( -4.452 -8.197 3.517) 9.969 6.829 ( 5.776 -6.857 -0.695) 8.993 7.646 ( 10.151 4.307 -10.359) 15.129 7.962 ( 10.008 -8.844 9.969) 16.666 9.033 ( -23.188 -7.210 16.973) 29.627 9.348 ( -8.737 -4.717 11.868) 15.474 9.806 ( -11.617 12.214 3.816) 17.283 9.949 ( -11.284 -6.432 -10.601) 16.765 10.605 ( 9.267 1.694 -1.578) 9.552 11.440 ( -3.756 13.955 4.744) 15.210 11.876 ( 12.899 -1.299 -14.651) 19.564 12.619 ( 17.029 2.851 2.457) 17.440 12.879 ( -8.968 -8.254 9.407) 15.396 13.420 ( -2.142 -2.811 -0.071) 3.535 13.451 ( -2.889 -0.930 2.337) 3.831 14.748 ( 15.053 8.137 0.315) 17.115 17.515 ( -12.356 0.197 -15.254) 19.632 18.796 ( 10.219 1.249 8.710) 13.485 19.497 ( 9.929 10.689 1.112) 14.631 19.725 ( -12.601 3.190 1.095) 13.044 20.561 ( 1.892 -13.327 -16.596) 21.368 23.122 ( 15.162 -5.693 -11.081) 19.624 23.495 ( -3.777 13.902 7.436) 16.212 24.076 ( 7.209 -2.856 14.515) 16.456 ======================= Grid point 581 (290/432) ======================= q-point: (-0.09 -0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -21.251 -5.569 12.659) 25.355 2.604 ( -18.279 -8.599 -3.202) 20.453 3.226 ( -1.152 -1.173 -0.916) 1.882 3.452 ( 4.168 6.139 4.253) 8.553 3.531 ( 4.809 4.595 -1.064) 6.735 3.966 ( 3.077 3.598 2.945) 5.575 4.600 ( 5.623 3.406 -7.519) 9.988 4.749 ( -10.261 -1.899 -2.594) 10.753 5.459 ( -6.084 8.274 1.577) 10.390 5.572 ( -3.924 4.264 -1.038) 5.887 5.846 ( -10.312 1.655 -0.274) 10.447 6.035 ( -10.080 -0.484 7.044) 12.307 6.654 ( -4.070 -4.020 -3.279) 6.593 6.983 ( 2.757 -8.612 4.589) 10.140 7.634 ( 12.149 3.472 -10.506) 16.432 8.164 ( -1.114 -6.525 3.040) 7.284 8.939 ( -23.427 -5.203 10.768) 26.303 9.422 ( -4.167 -4.675 7.766) 9.976 9.622 ( -10.085 11.174 7.641) 16.881 9.824 ( -3.711 -10.511 -5.207) 12.303 10.674 ( 4.904 3.482 -0.870) 6.077 11.390 ( 0.156 4.964 5.469) 7.387 11.883 ( 12.453 -2.144 -15.064) 19.662 12.805 ( 10.677 2.124 -0.200) 10.888 12.932 ( -10.437 -7.811 9.035) 15.861 13.409 ( -0.424 1.167 -1.138) 1.685 13.499 ( 2.515 -1.730 5.899) 6.642 14.829 ( 14.614 12.389 -4.908) 19.778 17.246 ( -9.141 -1.048 -6.019) 10.995 18.993 ( 10.116 0.387 1.590) 10.248 19.432 ( -8.869 8.552 1.231) 12.382 19.602 ( 4.563 6.026 -0.310) 7.565 20.594 ( 6.204 -13.263 -10.495) 18.015 23.180 ( 3.306 -0.020 -7.957) 8.617 23.436 ( 1.601 7.175 4.410) 8.573 24.363 ( 7.996 0.920 15.224) 17.221 ======================= Grid point 589 (291/432) ======================= q-point: (-0.36 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -16.738 -0.000 9.093) 19.049 2.909 ( -18.189 -0.000 -0.934) 18.213 3.217 ( 13.764 0.000 0.597) 13.777 3.365 ( 12.537 0.000 -12.794) 17.913 3.434 ( 6.535 0.000 4.806) 8.112 3.717 ( 2.528 0.000 6.399) 6.881 4.676 ( 4.803 0.000 -3.820) 6.137 5.061 ( -0.778 -0.000 -7.614) 7.654 5.614 ( -7.286 -0.000 4.249) 8.434 5.673 ( -6.600 -0.000 5.374) 8.512 6.181 ( -11.147 -0.000 -3.667) 11.735 6.364 ( -12.233 -0.000 3.882) 12.834 6.474 ( -6.432 -0.000 8.866) 10.954 6.699 ( 6.236 0.000 -1.239) 6.357 7.510 ( 15.265 0.000 14.623) 21.139 7.697 ( 11.469 0.000 -10.099) 15.281 9.001 ( -25.012 -0.000 23.847) 34.559 9.270 ( -13.304 -0.000 16.025) 20.828 9.995 ( -0.715 -0.000 11.219) 11.242 10.200 ( -14.664 -0.000 -20.792) 25.443 10.600 ( 2.193 0.000 -4.909) 5.376 11.773 ( -8.324 -0.000 2.013) 8.564 11.801 ( 16.352 0.000 -11.837) 20.187 12.416 ( 15.764 0.000 -3.664) 16.184 12.803 ( -9.143 -0.000 7.227) 11.654 13.379 ( -3.228 -0.000 -5.197) 6.118 13.473 ( -6.330 -0.000 5.960) 8.694 14.618 ( 14.758 0.000 5.365) 15.704 17.881 ( -13.216 -0.000 -15.895) 20.672 18.566 ( 9.588 0.000 11.415) 14.907 19.461 ( 11.198 0.000 7.556) 13.509 19.757 ( 6.650 0.000 -4.702) 8.144 20.740 ( -16.140 -0.000 -19.799) 25.544 22.959 ( 22.805 0.000 -11.785) 25.670 23.709 ( 2.674 0.000 15.554) 15.782 23.730 ( -5.051 -0.000 3.150) 5.953 ======================= Grid point 590 (292/432) ======================= q-point: (-0.27 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -17.741 1.096 11.818) 21.345 2.630 ( -23.048 -6.187 -1.008) 23.885 3.311 ( 3.603 3.098 -6.963) 8.429 3.385 ( 6.804 -2.937 -0.969) 7.474 3.608 ( 12.373 6.466 2.929) 14.265 3.846 ( 4.784 -2.035 6.723) 8.498 4.671 ( 4.298 1.330 -6.150) 7.620 4.909 ( -8.207 -0.884 -7.893) 11.420 5.598 ( -2.883 0.736 3.721) 4.764 5.634 ( -7.149 -1.107 3.513) 8.042 5.994 ( -12.163 0.180 -0.211) 12.166 6.226 ( -10.633 4.215 0.835) 11.469 6.530 ( -4.509 -5.505 7.700) 10.485 6.755 ( 7.012 -2.237 -4.703) 8.734 7.715 ( 10.422 2.934 -9.026) 14.096 7.845 ( 13.534 -4.318 6.592) 15.661 8.943 ( -25.062 -3.033 19.386) 31.829 9.288 ( -12.832 -2.056 14.918) 19.785 9.813 ( -12.938 -2.653 -14.987) 19.976 10.026 ( -8.289 5.803 8.299) 13.086 10.630 ( 10.276 0.919 -3.515) 10.900 11.635 ( -10.248 7.818 3.588) 13.380 11.845 ( 12.668 -2.200 -14.718) 19.543 12.626 ( 16.162 -1.446 0.494) 16.234 12.826 ( -5.423 1.024 12.277) 13.461 13.312 ( -4.104 -5.318 -1.302) 6.842 13.476 ( -1.959 1.048 4.210) 4.760 14.840 ( 14.861 2.795 1.689) 15.216 17.518 ( -12.617 0.085 -16.148) 20.493 18.812 ( 10.302 0.503 8.416) 13.313 19.657 ( 10.104 7.026 6.010) 13.696 19.754 ( -7.443 0.013 0.192) 7.445 20.382 ( -1.183 -6.617 -21.562) 22.585 23.054 ( 14.938 -2.149 -12.976) 19.903 23.680 ( -5.078 6.959 6.185) 10.605 24.021 ( 9.535 -2.863 17.734) 20.337 ======================= Grid point 591 (293/432) ======================= q-point: (-0.18 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -23.752 -3.778 7.613) 25.227 2.456 ( -18.904 -7.591 3.916) 20.745 3.206 ( -6.793 -0.832 -2.005) 7.132 3.498 ( 5.610 0.555 3.615) 6.697 3.679 ( 7.209 10.535 0.242) 12.768 3.992 ( 2.501 -0.595 5.843) 6.383 4.636 ( 3.162 1.656 -5.937) 6.927 4.731 ( -6.502 -0.977 -5.064) 8.299 5.552 ( -4.965 3.513 1.946) 6.386 5.615 ( -0.025 0.987 -1.981) 2.214 5.876 ( -9.721 1.189 3.934) 10.554 6.054 ( -10.932 2.579 1.196) 11.295 6.576 ( -3.900 -4.689 0.498) 6.119 6.850 ( 7.563 -6.285 -0.323) 9.839 7.717 ( 11.069 5.330 -8.191) 14.766 8.055 ( 5.403 -6.019 -0.191) 8.090 8.834 ( -24.874 -5.785 12.051) 28.239 9.323 ( -9.844 -5.918 12.134) 16.708 9.605 ( -6.827 -5.976 -4.924) 10.323 9.908 ( -8.923 12.173 5.600) 16.098 10.731 ( 10.398 2.124 -2.074) 10.813 11.496 ( -8.959 6.102 4.927) 11.907 11.853 ( 12.299 -1.519 -14.267) 18.898 12.805 ( 7.157 -1.973 -1.336) 7.543 12.885 ( -4.017 2.805 11.090) 12.123 13.339 ( -1.376 -8.141 1.792) 8.449 13.500 ( 1.175 1.382 2.941) 3.456 14.989 ( 15.166 6.543 -3.228) 16.830 17.232 ( -9.155 -0.581 -6.701) 11.360 18.998 ( 10.593 0.168 -1.335) 10.678 19.535 ( -18.015 3.392 0.747) 18.347 19.749 ( 9.906 11.087 1.464) 14.940 20.367 ( 9.489 -13.237 -11.012) 19.660 23.118 ( 12.388 -4.097 -11.085) 17.121 23.613 ( -6.355 9.857 6.957) 13.636 24.364 ( 10.022 -0.590 15.783) 18.705 ======================= Grid point 592 (294/432) ======================= q-point: (-0.09 -0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -22.440 -10.656 8.973) 26.413 2.239 ( -25.181 -5.060 -1.483) 25.727 3.174 ( -6.436 -4.249 8.687) 11.616 3.587 ( 1.644 1.649 2.199) 3.203 3.657 ( 5.996 10.462 0.356) 12.063 4.008 ( -8.523 3.600 5.410) 10.718 4.568 ( -2.260 3.085 -5.098) 6.373 4.693 ( 4.484 0.600 1.430) 4.745 5.480 ( -2.332 6.543 -4.782) 8.433 5.532 ( -0.210 3.135 -4.120) 5.182 5.754 ( -7.953 3.417 1.608) 8.805 6.014 ( -6.606 -1.526 10.676) 12.647 6.525 ( -3.193 -2.463 -5.191) 6.573 7.008 ( 2.844 -6.093 3.557) 7.607 7.736 ( 13.214 6.082 -7.643) 16.432 8.080 ( -3.834 -3.645 -2.508) 5.855 8.703 ( -23.150 -8.162 10.969) 26.887 9.419 ( -3.907 -6.041 9.132) 11.626 9.586 ( -2.612 -7.797 -0.080) 8.224 9.777 ( -3.967 7.262 4.430) 9.386 10.766 ( 3.234 8.651 -1.814) 9.412 11.425 ( -4.825 -0.798 2.892) 5.682 11.862 ( 11.914 -0.291 -12.868) 17.538 12.795 ( -7.281 -2.050 -0.376) 7.574 12.933 ( -1.537 0.593 5.250) 5.502 13.386 ( 1.406 -2.106 -4.493) 5.158 13.579 ( 3.391 -4.690 4.039) 7.058 15.044 ( 14.705 10.955 -8.240) 20.104 17.182 ( -1.231 0.348 9.939) 10.021 18.964 ( -1.137 -2.251 -15.208) 15.416 19.456 ( 1.402 1.616 9.069) 9.317 19.775 ( 9.371 10.482 -2.507) 14.282 20.479 ( 4.609 -10.951 -5.319) 13.018 23.160 ( 6.454 2.152 -7.739) 10.304 23.528 ( -4.009 7.089 4.976) 9.545 24.624 ( 5.675 0.902 10.828) 12.259 ======================= Grid point 601 (295/432) ======================= q-point: (-0.27 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -25.445 -0.000 1.173) 25.472 2.389 ( -18.571 -0.000 10.787) 21.476 3.200 ( -8.577 -0.000 -2.345) 8.892 3.501 ( 6.648 0.000 3.106) 7.338 3.793 ( 7.722 0.000 -0.729) 7.757 3.968 ( 2.118 0.000 8.442) 8.704 4.658 ( 4.424 0.000 -6.928) 8.219 4.715 ( -7.636 -0.000 -3.928) 8.587 5.582 ( -4.065 -0.000 1.995) 4.528 5.620 ( 1.524 0.000 -2.358) 2.807 5.884 ( -9.841 -0.000 6.474) 11.779 6.085 ( -11.084 -0.000 -2.692) 11.407 6.529 ( -3.806 -0.000 3.443) 5.132 6.795 ( 9.063 0.000 -3.109) 9.582 7.772 ( 10.168 0.000 -6.278) 11.950 7.995 ( 8.231 0.000 -2.152) 8.507 8.781 ( -25.254 -0.000 11.595) 27.789 9.267 ( -12.885 -0.000 12.787) 18.153 9.557 ( -6.887 -0.000 -3.962) 7.945 10.022 ( -9.063 -0.000 5.932) 10.832 10.746 ( 12.035 0.000 -3.105) 12.429 11.552 ( -13.391 -0.000 5.276) 14.393 11.837 ( 13.280 0.000 -13.868) 19.201 12.792 ( 9.848 0.000 -0.978) 9.897 12.933 ( -3.578 -0.000 10.995) 11.563 13.240 ( -3.781 -0.000 2.439) 4.499 13.514 ( 1.239 0.000 2.126) 2.460 15.044 ( 15.385 0.000 -2.626) 15.607 17.227 ( -9.194 -0.000 -6.964) 11.534 18.999 ( 10.653 0.000 -2.466) 10.935 19.561 ( -18.357 -0.000 -0.004) 18.357 19.883 ( 6.390 0.000 7.059) 9.521 20.219 ( 13.296 0.000 -15.693) 20.568 23.081 ( 13.490 0.000 -11.657) 17.829 23.703 ( -7.281 -0.000 7.653) 10.563 24.356 ( 11.220 0.000 15.770) 19.354 ======================= Grid point 602 (296/432) ======================= q-point: (-0.18 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -23.747 -5.539 6.012) 25.114 2.180 ( -26.527 -1.840 0.884) 26.605 3.128 ( -9.520 -1.325 11.704) 15.145 3.600 ( 3.634 0.316 1.950) 4.136 3.804 ( 3.225 5.511 -2.925) 7.023 4.042 ( -8.653 0.607 9.309) 12.724 4.615 ( 0.220 2.024 -4.640) 5.067 4.689 ( 5.369 -0.750 2.311) 5.893 5.537 ( -2.485 1.027 -11.648) 11.954 5.574 ( 2.369 1.744 -0.731) 3.031 5.806 ( -8.581 1.974 0.174) 8.807 5.999 ( -6.645 -0.318 11.461) 13.252 6.491 ( -2.218 -1.302 -3.448) 4.301 6.921 ( 8.365 -3.214 1.004) 9.017 7.839 ( 11.732 4.914 -3.443) 13.178 8.015 ( 1.387 -3.467 -6.361) 7.376 8.585 ( -25.191 -4.448 9.934) 27.442 9.293 ( -5.639 -5.432 9.993) 12.695 9.500 ( -4.192 -1.886 2.513) 5.239 9.934 ( -7.805 6.442 3.501) 10.709 10.848 ( 9.863 1.685 -3.629) 10.643 11.437 ( -12.626 0.940 4.579) 13.464 11.870 ( 13.429 0.585 -10.635) 17.140 12.818 ( -2.356 4.313 -1.918) 5.275 12.938 ( -4.174 -0.745 1.363) 4.454 13.272 ( -1.991 -7.540 1.670) 7.975 13.554 ( 2.872 0.212 0.435) 2.913 15.169 ( 15.338 3.804 -8.079) 17.748 17.186 ( 0.311 0.145 11.876) 11.881 18.934 ( -1.769 -1.025 -18.515) 18.628 19.473 ( -0.546 0.469 9.024) 9.053 19.961 ( 5.140 9.910 1.612) 11.280 20.293 ( 9.124 -9.725 -7.775) 15.436 23.144 ( 14.029 -1.429 -9.869) 17.212 23.669 ( -8.886 5.974 8.768) 13.839 24.625 ( 7.225 -0.298 8.500) 11.159 ======================= Grid point 603 (297/432) ======================= q-point: (-0.09 -0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -28.884 -4.824 0.269) 29.285 1.908 ( -20.865 -11.669 11.435) 26.501 3.228 ( -5.193 -1.790 17.663) 18.497 3.603 ( -2.899 2.309 -0.665) 3.765 3.783 ( 5.841 3.920 -2.944) 7.626 3.949 ( -16.959 3.658 8.165) 19.174 4.505 ( -5.284 5.699 -3.217) 8.411 4.884 ( 12.944 1.734 7.131) 14.879 5.282 ( -7.351 -0.302 -14.412) 16.182 5.588 ( 4.337 2.981 -2.324) 5.753 5.752 ( -2.193 1.504 5.459) 6.073 6.089 ( -3.728 0.976 14.164) 14.679 6.441 ( 1.803 -0.031 -4.592) 4.934 7.024 ( 1.033 -1.616 0.113) 1.921 7.835 ( 4.647 5.133 -12.124) 13.961 8.035 ( 4.837 0.524 3.404) 5.938 8.477 ( -22.436 -10.646 16.573) 29.856 9.426 ( 1.363 -9.955 3.676) 10.699 9.508 ( -3.961 -2.122 4.824) 6.593 9.837 ( -2.991 5.036 3.532) 6.840 10.836 ( -0.742 11.283 -4.434) 12.145 11.318 ( -8.890 -5.777 -1.402) 10.694 11.911 ( 11.989 3.758 -8.172) 14.988 12.666 ( -10.531 1.332 -0.626) 10.633 12.919 ( -3.400 -5.053 -0.797) 6.142 13.289 ( -1.550 -5.015 -4.701) 7.047 13.606 ( 2.602 -3.364 0.458) 4.278 15.185 ( 13.515 7.656 -13.489) 20.573 17.484 ( 12.630 5.134 25.045) 28.516 18.701 ( -2.132 -5.521 -17.380) 18.360 19.637 ( 8.127 1.708 7.263) 11.032 19.924 ( 7.014 9.150 -4.999) 12.566 20.378 ( 0.991 -10.007 -4.505) 11.019 23.211 ( 10.048 4.296 -6.810) 12.876 23.580 ( -7.542 7.935 6.473) 12.719 24.716 ( -2.065 -1.803 -0.529) 2.792 ======================= Grid point 613 (298/432) ======================= q-point: (-0.18 -0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -31.580 -0.000 -0.082) 31.580 1.792 ( -20.575 -0.000 11.269) 23.459 3.214 ( -6.078 -0.000 20.046) 20.947 3.620 ( -2.020 -0.000 -0.941) 2.228 3.821 ( 5.049 0.000 -5.432) 7.416 3.980 ( -18.241 -0.000 9.917) 20.762 4.557 ( -4.283 -0.000 -1.743) 4.624 4.898 ( 13.925 0.000 7.640) 15.883 5.273 ( -7.458 -0.000 -17.307) 18.845 5.614 ( 4.817 0.000 -3.960) 6.236 5.765 ( -3.273 -0.000 5.334) 6.259 6.102 ( -3.332 -0.000 15.772) 16.120 6.440 ( 2.747 0.000 -4.036) 4.883 7.007 ( 6.250 0.000 -1.711) 6.481 7.882 ( -0.441 -0.000 -14.523) 14.530 8.042 ( 13.114 0.000 5.318) 14.151 8.374 ( -26.618 -0.000 17.370) 31.784 9.325 ( 1.026 0.000 3.092) 3.258 9.495 ( -4.734 -0.000 8.846) 10.033 9.896 ( -5.670 -0.000 1.284) 5.814 10.925 ( 8.735 0.000 -5.582) 10.366 11.276 ( -18.427 -0.000 0.189) 18.428 11.954 ( 13.324 0.000 -6.998) 15.050 12.758 ( -11.418 -0.000 -5.172) 12.535 12.790 ( -3.826 -0.000 -3.624) 5.270 13.232 ( -3.109 -0.000 2.094) 3.748 13.587 ( 3.162 0.000 -1.513) 3.506 15.250 ( 13.827 0.000 -14.003) 19.679 17.531 ( 15.761 0.000 27.399) 31.609 18.651 ( -4.280 -0.000 -18.899) 19.377 19.649 ( 10.235 0.000 7.785) 12.859 20.048 ( -1.052 -0.000 -0.178) 1.067 20.250 ( 6.247 0.000 -9.343) 11.239 23.228 ( 15.647 0.000 -8.556) 17.833 23.679 ( -10.525 -0.000 10.010) 14.525 24.693 ( -1.887 -0.000 -3.910) 4.342 ======================= Grid point 614 (299/432) ======================= q-point: (-0.09 -0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -18.194 -3.923 14.291) 23.466 1.750 ( -15.552 -7.289 16.907) 24.101 3.382 ( -4.598 0.386 19.402) 19.943 3.543 ( -5.772 1.010 -1.962) 6.180 3.800 ( -12.089 3.135 2.435) 12.724 3.834 ( -0.821 -0.897 -3.258) 3.478 4.468 ( -5.577 5.527 1.107) 7.929 4.887 ( -3.816 -2.831 -15.738) 16.439 5.327 ( 12.212 1.703 15.859) 20.088 5.591 ( 0.825 0.131 -5.428) 5.491 5.825 ( 2.251 -0.027 5.962) 6.373 6.253 ( -2.417 2.598 18.217) 18.559 6.477 ( 8.442 0.587 -2.056) 8.708 7.009 ( -0.079 2.525 -4.423) 5.094 7.655 ( -4.706 -1.076 -17.505) 18.158 8.235 ( -3.840 7.698 15.045) 17.331 8.388 ( -6.768 -10.788 20.992) 24.553 9.342 ( -1.043 -5.955 -4.234) 7.381 9.600 ( 0.508 2.067 12.432) 12.613 9.859 ( -0.282 -1.465 1.463) 2.090 10.808 ( -14.944 17.826 -6.669) 24.199 11.080 ( -4.331 -15.359 -5.884) 17.009 12.011 ( 9.243 3.863 -7.070) 12.261 12.563 ( -8.690 5.276 1.885) 10.339 12.751 ( -5.248 -12.218 -2.430) 13.517 13.214 ( -1.961 -0.927 -0.389) 2.204 13.607 ( 2.300 -1.575 -2.061) 3.467 15.202 ( 10.538 3.689 -19.047) 22.078 18.095 ( 22.943 11.319 22.860) 34.309 18.466 ( 4.278 -9.913 -12.036) 16.170 19.828 ( 0.522 11.399 2.569) 11.696 20.001 ( 9.378 -4.195 -2.058) 10.478 20.228 ( 0.896 -6.884 -9.249) 11.564 23.324 ( 12.565 4.550 -6.330) 14.787 23.613 ( -10.038 7.382 7.593) 14.592 24.490 ( -16.433 -5.868 -12.606) 21.526 ======================= Grid point 625 (300/432) ======================= q-point: (-0.09 -0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.519 0.000 25.013) 25.059 1.782 ( -9.920 -0.000 22.479) 24.571 3.434 ( -6.282 -0.000 -3.691) 7.286 3.505 ( -18.490 -0.000 24.135) 30.404 3.690 ( -0.852 -0.000 0.040) 0.853 3.813 ( 7.661 0.000 -10.701) 13.161 4.467 ( -4.181 -0.000 4.259) 5.969 4.664 ( 0.040 0.000 -14.835) 14.835 5.513 ( -2.147 -0.000 -4.596) 5.073 5.662 ( 0.440 0.000 20.820) 20.824 5.963 ( 11.332 0.000 4.245) 12.101 6.469 ( -2.593 -0.000 21.923) 22.076 6.590 ( 10.394 0.000 -1.064) 10.448 6.950 ( -1.433 -0.000 -7.075) 7.219 7.378 ( -7.457 -0.000 -12.281) 14.368 8.335 ( -20.302 -0.000 29.863) 36.111 8.616 ( 10.711 0.000 13.769) 17.445 9.233 ( -3.323 -0.000 -4.357) 5.480 9.796 ( 2.041 0.000 12.168) 12.338 9.847 ( 1.482 0.000 -1.309) 1.978 10.542 ( -23.807 -0.000 -1.855) 23.879 10.947 ( 5.822 0.000 -9.110) 10.812 11.985 ( 0.600 0.000 -11.769) 11.785 12.570 ( -4.296 -0.000 -2.515) 4.978 12.624 ( -3.163 -0.000 10.582) 11.045 13.196 ( 1.254 0.000 -1.170) 1.715 13.594 ( 1.252 0.000 -3.026) 3.275 15.089 ( 6.727 0.000 -22.194) 23.191 18.271 ( 3.835 0.000 -13.212) 13.757 18.806 ( 31.502 0.000 17.182) 35.883 19.757 ( -9.697 -0.000 -13.502) 16.623 19.959 ( -11.738 -0.000 1.841) 11.881 20.310 ( 26.211 0.000 -2.071) 26.293 23.439 ( 11.100 0.000 -6.704) 12.967 23.601 ( -11.726 -0.000 8.049) 14.223 23.962 ( -29.381 -0.000 -16.020) 33.464 ======================= Grid point 626 (301/432) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 3.163 0.000 12.290) 12.691 2.782 ( 1.113 0.000 23.959) 23.985 3.074 ( -1.960 -0.000 -6.258) 6.558 3.454 ( 3.069 0.000 -9.390) 9.879 3.569 ( -4.981 -0.000 -10.632) 11.741 3.751 ( 1.714 0.000 -5.039) 5.322 4.309 ( 8.013 0.000 -0.529) 8.030 4.370 ( -6.929 -0.000 -3.191) 7.628 5.738 ( 2.154 0.000 11.894) 12.087 6.171 ( -9.562 -0.000 8.705) 12.931 6.285 ( 1.231 0.000 2.198) 2.519 6.607 ( -8.539 -0.000 0.664) 8.565 6.805 ( 8.805 0.000 -2.556) 9.169 7.036 ( -1.290 -0.000 -4.783) 4.954 7.694 ( 4.388 0.000 32.096) 32.395 9.079 ( -7.406 -0.000 -7.209) 10.335 9.163 ( -15.448 -0.000 24.307) 28.801 9.315 ( 3.340 0.000 5.013) 6.024 9.669 ( 4.605 0.000 -5.201) 6.947 10.011 ( -11.857 -0.000 22.889) 25.777 10.463 ( 4.282 0.000 -18.188) 18.685 11.045 ( 14.284 0.000 17.665) 22.717 11.298 ( 3.606 0.000 -16.965) 17.344 12.086 ( -11.686 -0.000 -12.668) 17.235 13.022 ( -4.068 -0.000 5.192) 6.596 13.230 ( 12.000 0.000 -5.107) 13.042 13.579 ( -1.768 -0.000 6.235) 6.481 14.334 ( 2.016 0.000 -14.949) 15.084 18.055 ( 12.149 0.000 -5.296) 13.253 18.551 ( -15.605 -0.000 -19.798) 25.209 19.618 ( -16.245 -0.000 4.057) 16.744 19.713 ( 13.072 0.000 1.405) 13.147 21.394 ( 30.874 0.000 13.886) 33.853 22.425 ( -31.442 -0.000 -14.702) 34.709 23.501 ( -11.155 -0.000 1.798) 11.299 23.605 ( 12.488 0.000 -3.625) 13.003 ======================= Grid point 627 (302/432) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.763 0.390 10.236) 11.753 2.982 ( 0.967 0.355 -5.501) 5.597 3.059 ( 1.121 1.797 17.705) 17.831 3.380 ( -2.017 1.991 -7.892) 8.386 3.397 ( -0.596 0.376 -5.265) 5.312 3.686 ( 0.901 -2.982 -10.632) 11.079 4.250 ( -5.663 -1.910 -2.366) 6.428 4.455 ( 8.459 -6.247 0.131) 10.517 5.869 ( -2.216 1.322 10.118) 10.442 6.092 ( -10.893 0.159 1.060) 10.946 6.301 ( -5.148 0.568 5.125) 7.286 6.510 ( -10.606 -1.345 3.298) 11.188 6.859 ( 5.326 4.216 -2.695) 7.308 6.970 ( -1.027 -3.318 -3.381) 4.847 8.101 ( 4.040 6.018 31.974) 32.785 8.670 ( -14.937 21.035 -11.452) 28.227 9.268 ( -18.729 -18.036 12.079) 28.670 9.447 ( 1.858 -1.119 9.661) 9.902 9.678 ( 2.478 -1.314 -4.275) 5.113 10.223 ( 2.683 3.408 17.354) 17.888 10.334 ( 4.388 -4.305 -8.176) 10.229 11.163 ( 4.969 0.122 -17.307) 18.006 11.471 ( 17.854 -1.614 16.470) 24.344 11.806 ( -1.600 4.996 -14.267) 15.201 13.024 ( -5.097 -7.118 0.766) 8.788 13.336 ( 10.253 -4.397 -5.121) 12.276 13.629 ( -3.853 2.057 9.410) 10.374 14.181 ( 1.246 2.491 -13.158) 13.450 18.142 ( -11.004 1.047 -13.582) 17.512 18.199 ( 10.271 -1.704 -1.952) 10.593 19.455 ( -15.616 1.119 4.272) 16.228 19.829 ( 3.552 0.730 0.844) 3.723 21.829 ( -15.348 8.504 -8.909) 19.679 21.999 ( 19.951 -6.598 8.391) 22.627 23.390 ( -8.894 -1.738 0.119) 9.063 23.732 ( 11.451 -0.674 -1.858) 11.620 ======================= Grid point 628 (303/432) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 0.385 2.154 2.707) 3.481 2.939 ( 4.525 -1.022 -2.181) 5.126 3.170 ( 1.166 4.376 3.443) 5.689 3.269 ( -1.579 0.705 -4.199) 4.541 3.415 ( 1.197 2.494 7.633) 8.119 3.609 ( 1.719 -6.489 -11.027) 12.909 4.204 ( -2.515 -5.658 -1.547) 6.383 4.630 ( 7.509 -9.571 0.331) 12.169 5.851 ( -13.163 3.231 5.247) 14.534 5.933 ( -10.941 -0.480 -1.989) 11.130 6.255 ( -8.699 1.245 4.042) 9.672 6.427 ( -12.758 -1.631 5.980) 14.184 6.822 ( 2.568 4.557 -3.260) 6.163 7.004 ( 3.814 -4.271 -1.764) 5.991 8.163 ( -13.360 18.969 -13.434) 26.811 8.403 ( 2.044 11.870 25.509) 28.210 9.261 ( -18.042 -14.930 5.847) 24.137 9.582 ( -2.678 1.831 12.811) 13.216 9.648 ( -1.922 -3.410 -3.033) 4.952 10.191 ( -1.429 -5.158 -10.854) 12.102 10.628 ( 10.873 -2.125 18.326) 21.415 11.022 ( 4.872 4.789 -13.145) 14.814 11.619 ( 11.556 8.413 -14.032) 20.031 11.940 ( 20.537 -1.264 13.086) 24.385 13.033 ( -4.198 -11.018 -1.812) 11.929 13.438 ( 4.466 -8.764 -4.813) 10.951 13.648 ( -6.790 4.956 10.607) 13.534 14.045 ( 4.290 1.222 -11.898) 12.706 17.829 ( -12.435 -1.121 -10.933) 16.595 18.420 ( 13.700 -1.177 7.168) 15.506 19.293 ( -12.492 2.105 1.983) 12.823 19.826 ( -6.282 -1.053 2.217) 6.744 21.355 ( -13.845 6.656 -18.001) 23.665 22.534 ( 23.333 -3.327 16.572) 28.812 23.300 ( -5.236 -1.057 -1.877) 5.662 23.872 ( 10.288 -1.322 0.559) 10.388 ======================= Grid point 629 (304/432) ======================= q-point: (-0.73 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -3.052 -4.635 -4.514) 7.154 2.945 ( -4.824 4.168 1.866) 6.643 3.168 ( -2.479 0.507 -4.519) 5.179 3.266 ( 7.336 0.513 3.414) 8.108 3.474 ( 2.032 2.197 2.242) 3.739 3.623 ( 3.711 -4.490 -1.252) 5.958 4.242 ( 3.340 -5.787 -1.657) 6.884 4.803 ( 4.844 -11.095 -0.195) 12.108 5.619 ( -19.944 3.022 0.084) 20.172 5.776 ( -13.194 -1.731 -1.092) 13.352 6.150 ( -10.925 1.853 1.871) 11.238 6.344 ( -12.630 0.137 7.805) 14.848 6.789 ( 2.745 3.485 -3.463) 5.628 7.068 ( 3.643 -3.524 -1.895) 5.411 7.739 ( -6.101 14.928 -12.294) 20.279 8.530 ( -0.080 15.046 13.920) 20.498 9.204 ( -16.593 -12.006 4.103) 20.888 9.591 ( -4.492 -5.396 -0.002) 7.022 9.682 ( -5.112 4.458 12.824) 14.508 10.058 ( -11.251 -11.677 -9.374) 18.730 10.861 ( 10.134 14.043 -2.784) 17.540 11.048 ( 11.261 0.066 11.420) 16.038 11.578 ( 18.454 4.875 -17.888) 26.159 12.343 ( 19.300 0.903 9.683) 21.612 13.067 ( -0.750 -10.442 -1.706) 10.607 13.451 ( -3.150 -7.071 -5.540) 9.519 13.617 ( -9.324 6.952 11.229) 16.167 14.052 ( 10.601 -8.678 -8.711) 16.235 17.580 ( -11.754 0.072 -6.053) 13.221 18.717 ( 12.380 -0.279 12.260) 17.425 19.161 ( -5.716 -0.364 -1.814) 6.008 19.748 ( -13.635 -4.057 3.367) 14.619 20.973 ( -3.509 8.388 -17.570) 19.783 22.978 ( 7.151 -7.647 13.809) 17.329 23.242 ( 6.549 5.952 -3.404) 9.482 24.047 ( 9.571 -3.149 4.886) 11.199 ======================= Grid point 630 (305/432) ======================= q-point: (-0.64 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -5.853 -6.928 -10.050) 13.537 2.848 ( -13.857 3.850 10.462) 17.785 3.081 ( 1.241 -2.853 -6.310) 7.035 3.389 ( 4.060 0.550 2.689) 4.901 3.526 ( 2.772 2.582 5.529) 6.702 3.717 ( 6.338 -5.303 -0.934) 8.317 4.331 ( 7.719 -3.538 -2.943) 8.987 4.901 ( -1.281 -5.529 -1.542) 5.881 5.351 ( -18.499 -3.067 0.420) 18.756 5.609 ( -13.299 -3.924 -0.899) 13.895 5.992 ( -11.041 3.155 -0.037) 11.483 6.284 ( -10.660 1.430 9.142) 14.115 6.731 ( -0.374 3.808 -4.965) 6.268 7.106 ( 1.417 -2.826 -1.848) 3.662 7.497 ( 4.410 9.909 -9.527) 14.436 8.474 ( -3.542 14.202 2.388) 14.830 9.134 ( -15.610 -10.387 4.125) 19.198 9.605 ( -3.132 -6.011 2.628) 7.270 9.690 ( -10.614 3.781 12.164) 16.580 9.923 ( -9.108 -8.712 -4.146) 13.268 10.795 ( 7.371 18.389 -2.459) 19.963 11.330 ( 9.734 1.037 11.017) 14.738 11.582 ( 19.430 2.772 -19.568) 27.715 12.611 ( 12.245 -0.491 1.567) 12.355 13.126 ( 0.425 -4.375 -1.839) 4.765 13.414 ( -0.547 -5.357 -3.890) 6.643 13.575 ( -8.089 5.878 13.595) 16.876 14.223 ( 11.436 -16.172 -6.629) 20.887 17.390 ( -10.697 1.838 0.627) 10.872 18.932 ( 4.831 3.418 1.928) 6.225 19.175 ( 6.492 -5.937 2.656) 9.189 19.632 ( -14.181 -4.342 2.867) 15.105 20.728 ( 2.838 8.023 -12.147) 14.831 23.054 ( -10.929 -10.240 -1.165) 15.022 23.379 ( 17.596 10.881 4.121) 21.095 24.296 ( 9.584 -5.276 10.291) 15.020 ======================= Grid point 631 (306/432) ======================= q-point: (-0.55 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -13.754 -1.259 -9.092) 16.536 2.736 ( -16.308 6.365 10.495) 20.411 3.154 ( 6.517 -10.003 -1.499) 12.032 3.419 ( 0.142 0.753 0.530) 0.932 3.625 ( 3.083 3.225 8.729) 9.803 3.840 ( 4.553 -9.665 -2.262) 10.921 4.420 ( 8.494 -0.608 -3.304) 9.134 4.796 ( -11.551 2.005 -0.321) 11.728 5.254 ( -8.178 -12.438 -1.720) 14.985 5.502 ( -7.989 -3.739 1.573) 8.960 5.841 ( -7.953 2.698 1.141) 8.475 6.253 ( -8.483 1.897 9.452) 12.841 6.597 ( -3.641 4.339 -7.315) 9.251 7.112 ( -0.628 -2.253 -1.601) 2.834 7.450 ( 11.362 4.541 -7.511) 14.357 8.296 ( -6.507 10.196 -1.963) 12.254 9.064 ( -14.402 -6.132 5.341) 16.540 9.644 ( -12.394 -2.984 9.957) 16.176 9.665 ( -4.895 -4.695 6.462) 9.368 9.871 ( 0.214 2.007 -1.227) 2.362 10.704 ( 2.015 12.777 -0.410) 12.941 11.503 ( 5.603 4.304 3.306) 7.801 11.579 ( 17.582 2.463 -16.886) 24.502 12.735 ( 5.417 -3.139 -1.542) 6.449 13.089 ( -3.013 -1.574 -3.478) 4.863 13.372 ( -5.287 1.242 -0.156) 5.433 13.676 ( 4.102 2.703 10.256) 11.372 14.436 ( 10.839 -17.448 -6.765) 21.626 17.318 ( -6.809 0.618 9.914) 12.043 18.867 ( 2.430 1.979 -14.818) 15.146 19.385 ( 7.061 -3.370 6.573) 10.219 19.562 ( -4.034 -2.362 2.297) 5.209 20.623 ( 3.025 5.308 -4.262) 7.449 22.972 ( -7.918 -8.995 -4.172) 12.689 23.509 ( 9.205 7.984 2.373) 12.414 24.583 ( 7.191 -4.868 11.061) 14.063 ======================= Grid point 632 (307/432) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -17.098 3.921 -2.579) 17.730 2.564 ( -16.620 10.592 9.800) 22.011 3.298 ( 4.159 -4.412 1.358) 6.214 3.442 ( 1.831 -5.271 -1.047) 5.678 3.729 ( 4.353 5.103 5.583) 8.727 3.931 ( -3.496 -13.730 0.210) 14.170 4.422 ( -5.790 -1.149 -3.448) 6.836 4.733 ( 4.023 -2.313 2.515) 5.279 5.218 ( -5.834 -7.448 -4.110) 10.315 5.503 ( -0.265 -1.513 3.249) 3.593 5.795 ( -3.342 -0.120 5.664) 6.578 6.255 ( -5.708 0.702 9.072) 10.742 6.426 ( -3.221 2.977 -7.091) 8.338 7.087 ( -3.384 -2.080 -1.588) 4.277 7.498 ( 11.754 -0.226 -9.442) 15.079 8.143 ( -5.649 4.926 2.190) 7.809 8.995 ( -11.385 0.324 8.435) 14.173 9.631 ( -16.323 -7.447 13.059) 22.191 9.702 ( -2.403 2.265 3.385) 4.729 9.854 ( 6.356 6.870 -1.493) 9.477 10.636 ( -4.037 1.765 1.247) 4.579 11.464 ( 7.414 6.499 -12.426) 15.863 11.640 ( 10.515 1.918 -4.088) 11.444 12.764 ( -1.848 -1.323 -1.447) 2.694 13.034 ( -0.567 -0.190 -2.856) 2.918 13.286 ( -6.199 0.707 0.500) 6.259 13.776 ( 2.967 6.955 5.004) 9.067 14.619 ( 10.596 -14.982 -10.074) 20.934 17.455 ( 0.230 -4.568 18.605) 19.159 18.660 ( 3.052 4.112 -20.648) 21.274 19.531 ( 3.019 -3.558 2.338) 5.219 19.622 ( 7.957 -0.996 0.302) 8.025 20.586 ( -0.319 4.579 0.354) 4.604 22.927 ( -4.373 -10.834 -3.593) 12.223 23.557 ( 3.731 4.561 1.132) 6.000 24.771 ( 1.046 -1.726 5.878) 6.214 ======================= Grid point 633 (308/432) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -13.699 8.743 8.439) 18.312 2.383 ( -14.169 13.366 12.339) 23.058 3.375 ( 3.809 -1.255 0.403) 4.031 3.496 ( -0.353 -6.036 -1.520) 6.235 3.755 ( 5.687 7.422 -3.120) 9.857 3.981 ( -12.417 -13.283 5.695) 19.054 4.297 ( -9.796 -8.035 -3.813) 13.231 4.863 ( 4.508 -1.906 -2.941) 5.710 5.208 ( 5.803 -1.347 3.567) 6.944 5.568 ( 3.855 1.279 2.567) 4.805 5.867 ( -0.840 -1.801 9.245) 9.457 6.285 ( 0.676 -1.779 0.099) 1.905 6.382 ( -0.765 -2.061 7.729) 8.036 7.021 ( -6.894 -1.938 -1.040) 7.236 7.488 ( 6.011 -0.892 -14.386) 15.617 8.152 ( -1.232 -3.078 8.726) 9.335 8.979 ( -6.553 6.287 14.277) 16.920 9.591 ( -3.980 7.679 -1.314) 8.748 9.675 ( -13.191 -4.058 14.039) 19.687 9.900 ( 6.973 2.437 0.227) 7.390 10.576 ( -10.774 -5.376 0.983) 12.081 11.338 ( 5.299 8.871 -12.334) 16.090 11.717 ( 9.460 -1.066 -4.442) 10.505 12.684 ( -6.894 2.011 -1.096) 7.264 12.996 ( 0.972 3.312 -2.548) 4.290 13.224 ( -5.231 -0.442 1.889) 5.579 13.759 ( -0.603 9.497 2.295) 9.789 14.711 ( 9.323 -11.106 -15.660) 21.343 17.789 ( 5.961 -10.373 17.261) 21.001 18.468 ( 9.021 5.022 -15.552) 18.668 19.572 ( -3.269 -7.576 -3.017) 8.786 19.775 ( 16.918 1.604 -1.762) 17.085 20.517 ( -4.307 7.136 0.783) 8.372 22.964 ( -1.019 -13.670 -1.713) 13.815 23.564 ( 0.043 0.890 -0.004) 0.891 24.745 ( -7.801 3.838 -1.956) 8.911 ======================= Grid point 634 (309/432) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -4.164 9.074 17.701) 20.323 2.288 ( -9.223 12.760 17.435) 23.492 3.422 ( -0.019 -2.929 -3.005) 4.196 3.487 ( -0.479 -2.717 -2.366) 3.635 3.719 ( 8.936 7.308 -7.383) 13.703 3.943 ( -19.081 -8.011 8.953) 22.548 4.239 ( -3.439 -11.884 -6.777) 14.106 4.790 ( -2.995 5.966 -3.062) 7.344 5.420 ( 7.436 -4.178 2.298) 8.834 5.672 ( 13.074 3.211 5.866) 14.685 5.999 ( -1.849 -1.737 12.605) 12.858 6.355 ( 8.131 -4.080 -1.231) 9.180 6.568 ( 2.016 -6.570 14.017) 15.611 6.931 ( -8.867 -1.822 1.680) 9.206 7.353 ( 0.794 1.756 -14.251) 14.380 8.334 ( -0.022 -11.804 11.766) 16.667 9.047 ( -2.739 10.361 19.471) 22.225 9.426 ( -1.875 12.563 -3.797) 13.257 9.725 ( -9.790 -5.451 11.960) 16.389 9.999 ( 5.477 -2.536 3.794) 7.129 10.449 ( -17.593 -5.839 0.836) 18.556 11.175 ( 4.688 13.084 -11.104) 17.790 11.776 ( 5.458 -3.924 -8.174) 10.583 12.552 ( -8.147 0.752 -1.222) 8.273 12.964 ( 1.517 7.966 3.260) 8.740 13.185 ( -3.668 0.040 0.362) 3.686 13.679 ( -1.923 8.556 0.655) 8.794 14.692 ( 7.598 -7.749 -19.821) 22.597 18.004 ( 4.719 -6.000 -6.760) 10.197 18.598 ( 20.001 -2.828 7.978) 21.719 19.504 ( -9.127 -10.167 -8.004) 15.835 19.979 ( 20.027 1.558 -4.194) 20.521 20.382 ( -4.974 11.088 2.116) 12.335 23.075 ( -0.492 -16.311 -0.240) 16.320 23.543 ( -2.056 -1.863 -2.304) 3.606 24.463 ( -16.794 11.037 -7.398) 21.415 ======================= Grid point 635 (310/432) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 2.197 4.063 18.604) 19.169 2.336 ( -4.718 9.334 22.242) 24.578 3.325 ( -7.023 -1.767 -5.249) 8.944 3.517 ( 6.093 -3.553 -6.862) 9.840 3.702 ( 9.854 6.456 -6.742) 13.574 3.865 ( -15.783 -3.521 8.704) 18.365 4.225 ( -0.097 -11.080 -8.588) 14.018 4.661 ( -3.300 9.461 -0.995) 10.069 5.491 ( 0.252 -0.865 3.566) 3.678 5.964 ( 17.024 -0.745 5.747) 17.983 6.108 ( -4.910 0.298 12.903) 13.809 6.518 ( 12.109 -4.324 -1.246) 12.918 6.765 ( -0.300 -5.777 0.694) 5.826 6.940 ( -4.187 -2.483 18.841) 19.459 7.198 ( -0.532 1.573 -8.203) 8.369 8.597 ( -2.315 -18.560 14.237) 23.506 9.147 ( -4.548 12.083 19.102) 23.055 9.291 ( 1.938 10.803 0.675) 10.996 9.758 ( -2.078 0.352 2.615) 3.358 10.181 ( 1.010 1.123 13.143) 13.229 10.262 ( -18.809 -15.232 -0.235) 24.204 10.990 ( 5.239 17.568 -9.498) 20.647 11.690 ( -2.115 -2.270 -14.671) 14.996 12.461 ( -7.230 -4.701 -1.212) 8.709 12.975 ( 0.025 10.337 9.572) 14.089 13.142 ( 2.016 1.275 -3.752) 4.447 13.597 ( -1.915 5.087 -0.105) 5.436 14.598 ( 5.871 -5.181 -20.428) 21.877 17.988 ( 7.505 -1.924 -11.628) 13.973 19.042 ( 21.750 -7.169 9.355) 24.738 19.313 ( -12.986 -8.044 -13.863) 20.628 20.003 ( -5.055 4.722 -5.760) 9.001 20.451 ( 21.078 6.817 8.086) 23.583 23.172 ( -10.709 -20.199 -0.831) 22.877 23.490 ( 2.088 0.303 -7.086) 7.394 24.012 ( -19.967 16.305 -5.501) 26.359 ======================= Grid point 636 (311/432) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 2.715 0.426 15.301) 15.546 2.511 ( -1.419 3.788 24.516) 24.848 3.188 ( -5.095 -0.829 -6.102) 7.992 3.512 ( 4.873 -2.374 -10.653) 11.953 3.702 ( 6.220 2.642 -8.134) 10.574 3.783 ( -8.609 -0.939 2.765) 9.090 4.236 ( 3.395 -5.954 -4.812) 8.375 4.518 ( -4.685 8.384 -1.851) 9.781 5.580 ( 1.591 -0.391 9.387) 9.529 6.150 ( -6.668 -0.487 12.654) 14.312 6.206 ( 8.200 0.327 1.867) 8.416 6.669 ( 5.255 -1.350 -0.086) 5.427 6.733 ( 0.445 -1.471 -4.100) 4.378 7.082 ( 1.354 -0.111 -2.906) 3.208 7.291 ( 1.506 -3.775 26.000) 26.316 8.897 ( -5.168 -23.652 14.163) 28.049 9.153 ( -6.102 5.346 12.186) 14.639 9.315 ( 4.309 17.847 10.010) 20.912 9.718 ( 1.683 3.165 -6.101) 7.076 10.039 ( -22.372 1.194 13.222) 26.015 10.475 ( 5.645 -19.134 -1.499) 20.006 10.836 ( 7.356 19.461 1.040) 20.831 11.479 ( -1.828 -0.503 -16.814) 16.920 12.343 ( -11.741 -4.898 -7.110) 14.574 13.002 ( -1.875 6.942 9.715) 12.087 13.154 ( 9.527 2.153 -4.811) 10.888 13.555 ( -1.511 1.102 1.745) 2.558 14.473 ( 3.928 -2.772 -17.993) 18.624 17.992 ( 10.174 -0.628 -9.193) 13.726 18.975 ( -15.678 -3.833 -19.686) 25.456 19.447 ( 19.422 -3.809 4.827) 20.372 19.800 ( -13.549 3.340 0.447) 13.962 20.865 ( 29.526 2.106 10.539) 31.422 22.964 ( -31.625 -10.677 -10.709) 35.055 23.499 ( 12.828 2.005 -6.030) 14.316 23.661 ( -13.870 7.865 1.846) 16.051 ======================= Grid point 638 (312/432) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 0.008 0.000 -8.979) 8.979 2.913 ( 6.164 0.000 8.028) 10.121 3.234 ( -3.239 -0.000 -6.589) 7.342 3.249 ( 0.618 0.000 7.552) 7.577 3.460 ( 2.244 0.000 10.434) 10.673 3.530 ( 0.450 0.000 -14.188) 14.195 4.156 ( -1.660 -0.000 -1.931) 2.546 4.539 ( 6.838 0.000 0.290) 6.845 5.889 ( -10.614 -0.000 5.773) 12.082 5.922 ( -13.400 -0.000 -2.635) 13.657 6.267 ( -9.740 -0.000 5.077) 10.984 6.410 ( -11.334 -0.000 5.614) 12.648 6.886 ( -0.982 -0.000 -2.529) 2.713 6.942 ( 6.914 0.000 -2.786) 7.454 8.349 ( -16.453 -0.000 -19.072) 25.188 8.508 ( -0.828 -0.000 29.142) 29.153 9.109 ( -16.753 -0.000 12.847) 21.112 9.608 ( -0.742 -0.000 14.596) 14.615 9.608 ( 0.200 0.000 -8.875) 8.877 10.139 ( -2.279 -0.000 -16.744) 16.898 10.613 ( 10.600 0.000 22.798) 25.141 11.063 ( 9.895 0.000 -15.029) 17.994 11.719 ( 10.751 0.000 -15.534) 18.892 11.921 ( 19.609 0.000 18.062) 26.660 12.926 ( -4.156 -0.000 -1.198) 4.326 13.357 ( 5.756 0.000 -6.413) 8.618 13.690 ( -6.817 -0.000 11.049) 12.983 14.058 ( 2.095 0.000 -13.204) 13.370 17.819 ( -12.250 -0.000 -10.882) 16.386 18.410 ( 13.981 0.000 7.043) 15.655 19.313 ( -13.701 -0.000 2.992) 14.023 19.815 ( -8.311 -0.000 2.167) 8.589 21.415 ( -12.555 -0.000 -20.456) 24.002 22.503 ( 21.391 0.000 19.101) 28.677 23.293 ( -3.441 -0.000 -1.110) 3.615 23.860 ( 10.677 0.000 -0.469) 10.687 ======================= Grid point 639 (313/432) ======================= q-point: (-0.82 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -2.971 -1.068 -10.432) 10.899 2.981 ( -5.459 0.242 1.130) 5.580 3.183 ( 0.602 1.201 -2.692) 3.009 3.287 ( 1.568 2.115 3.276) 4.202 3.426 ( 4.908 -5.204 -10.093) 12.370 3.634 ( 2.535 2.858 12.951) 13.503 4.175 ( 4.060 -2.015 0.636) 4.577 4.633 ( 3.457 -6.728 -0.238) 7.568 5.682 ( -17.191 3.642 -1.622) 17.648 5.743 ( -16.755 -2.294 -0.604) 16.922 6.174 ( -11.552 0.823 3.709) 12.161 6.344 ( -11.130 -0.067 7.912) 13.656 6.850 ( 1.536 3.124 -2.192) 4.114 7.003 ( 5.066 -3.333 -3.725) 7.117 7.923 ( -10.949 6.069 -16.385) 20.620 8.723 ( -6.136 6.666 20.031) 21.985 9.064 ( -15.114 -4.291 10.626) 18.967 9.518 ( -0.074 -2.669 -7.244) 7.720 9.741 ( -4.357 2.285 14.781) 15.578 9.884 ( -10.188 -7.003 -15.681) 19.968 11.000 ( 13.421 3.160 14.917) 20.313 11.089 ( 16.550 2.561 -6.616) 18.006 11.688 ( 17.165 6.002 -17.662) 25.349 12.358 ( 17.501 0.373 13.303) 21.987 12.914 ( 0.921 -5.960 0.005) 6.031 13.330 ( -1.249 -5.159 -7.306) 9.031 13.701 ( -10.012 2.771 11.973) 15.852 13.962 ( 5.967 -2.429 -12.589) 14.142 17.580 ( -10.986 0.001 -4.781) 11.981 18.713 ( 13.712 -0.159 13.476) 19.227 19.168 ( -9.719 0.587 -1.007) 9.789 19.693 ( -15.225 -2.013 3.294) 15.706 21.072 ( -1.983 3.145 -20.569) 20.902 22.872 ( -0.272 -3.657 13.021) 13.527 23.336 ( 13.803 3.590 3.371) 14.655 24.000 ( 9.419 -1.830 1.278) 9.679 ======================= Grid point 640 (314/432) ======================= q-point: (-0.73 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -4.244 -5.762 -10.879) 13.022 2.884 ( -10.912 -0.262 3.526) 11.471 3.074 ( -0.884 2.270 -8.723) 9.057 3.365 ( -0.538 -3.281 3.760) 5.019 3.496 ( 9.129 -4.086 -2.644) 10.345 3.754 ( 1.725 7.121 10.575) 12.865 4.288 ( 7.849 -1.621 1.735) 8.200 4.731 ( -0.044 -11.695 -0.648) 11.713 5.371 ( -22.794 3.728 -0.897) 23.114 5.543 ( -13.747 -3.857 -2.016) 14.420 6.045 ( -11.428 2.741 2.675) 12.053 6.303 ( -10.026 0.722 9.139) 13.585 6.800 ( -0.336 4.484 -3.387) 5.629 7.033 ( 1.346 -5.103 -4.473) 6.918 7.632 ( -0.864 5.414 -11.693) 12.915 8.685 ( -11.188 10.163 5.656) 16.139 9.030 ( -11.813 -1.775 10.064) 15.620 9.500 ( 0.064 -6.469 -3.138) 7.190 9.630 ( -12.381 -9.825 -8.534) 17.962 9.847 ( -6.982 1.178 14.155) 15.827 11.108 ( 15.037 15.837 -4.508) 22.299 11.364 ( 12.593 1.462 11.730) 17.271 11.656 ( 19.554 6.376 -19.860) 28.590 12.605 ( 8.135 -0.923 0.931) 8.240 13.050 ( 6.250 -2.849 1.357) 7.001 13.279 ( -0.680 -9.718 -4.306) 10.651 13.674 ( -10.721 4.939 13.720) 18.099 13.989 ( 9.102 -10.691 -9.459) 16.930 17.415 ( -10.750 1.122 1.401) 10.899 18.982 ( -1.000 2.189 2.512) 3.479 19.109 ( 8.976 -2.152 7.045) 11.611 19.565 ( -12.764 -3.342 3.413) 13.628 20.831 ( 2.674 4.204 -16.946) 17.663 22.890 ( -12.194 -7.541 1.860) 14.457 23.588 ( 18.225 11.874 7.928) 23.151 24.189 ( 8.793 -6.946 5.788) 12.612 ======================= Grid point 641 (315/432) ======================= q-point: (-0.64 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -6.568 -3.969 -10.181) 12.749 2.813 ( -14.736 2.105 12.309) 19.315 3.002 ( 6.446 -6.412 -9.260) 12.977 3.397 ( -3.235 -3.955 1.189) 5.246 3.618 ( 5.666 -4.857 -0.316) 7.470 3.817 ( 0.485 7.921 9.203) 12.152 4.423 ( 8.814 0.760 1.495) 8.972 4.766 ( -8.145 -7.137 -1.901) 10.995 5.076 ( -18.142 -6.255 -0.421) 19.195 5.436 ( -6.660 -3.792 1.693) 7.849 5.908 ( -9.543 4.471 3.347) 11.057 6.280 ( -8.173 1.341 8.975) 12.212 6.675 ( -4.648 5.083 -5.607) 8.882 7.024 ( -2.138 -6.998 -4.744) 8.721 7.529 ( 6.608 3.520 -7.981) 10.943 8.447 ( -14.190 7.852 -2.112) 16.354 9.018 ( -7.555 1.630 9.423) 12.187 9.470 ( -10.841 -16.137 -5.364) 20.167 9.593 ( 0.494 -4.268 3.721) 5.684 9.892 ( -8.667 2.226 13.866) 16.503 11.054 ( 9.741 24.627 -3.194) 26.676 11.591 ( 10.115 3.489 5.351) 11.963 11.633 ( 19.083 5.330 -19.789) 28.003 12.682 ( 4.350 -3.229 -2.478) 5.957 13.028 ( -4.145 -4.666 -5.692) 8.447 13.366 ( 0.315 -2.443 -0.236) 2.474 13.725 ( 0.704 3.409 14.155) 14.576 14.140 ( 9.362 -16.784 -5.954) 20.119 17.329 ( -9.272 0.615 8.470) 12.573 18.868 ( -1.486 -1.217 -12.676) 12.820 19.388 ( 10.221 2.697 11.718) 15.781 19.523 ( -2.412 -2.173 3.130) 4.510 20.681 ( 2.235 1.919 -10.282) 10.695 22.793 ( -13.376 -10.077 -1.359) 16.802 23.727 ( 11.889 15.832 3.326) 20.077 24.464 ( 7.017 -9.359 9.807) 15.265 ======================= Grid point 642 (316/432) ======================= q-point: (-0.55 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -8.044 3.555 -2.904) 9.261 2.709 ( -14.462 6.994 10.061) 18.955 3.143 ( 8.585 -12.377 -0.668) 15.078 3.389 ( -2.682 -3.315 -0.377) 4.280 3.708 ( -0.913 -10.248 -1.076) 10.345 3.856 ( 0.899 8.415 8.971) 12.333 4.438 ( -9.851 2.715 -2.986) 10.645 4.681 ( 0.433 -3.882 1.538) 4.198 5.033 ( -6.072 -13.191 1.208) 14.571 5.470 ( 0.902 -2.647 4.914) 5.653 5.827 ( -5.640 3.640 6.768) 9.532 6.274 ( -5.670 1.366 7.424) 9.441 6.488 ( -5.925 4.266 -6.561) 9.816 6.985 ( -6.124 -8.727 -4.275) 11.486 7.518 ( 7.516 1.354 -7.954) 11.027 8.200 ( -12.935 2.244 -0.897) 13.159 9.028 ( -3.471 4.629 9.789) 11.371 9.437 ( -11.339 -16.245 0.691) 19.823 9.693 ( 2.391 -1.762 4.318) 5.241 9.909 ( -8.967 1.018 11.622) 14.715 10.898 ( 4.354 26.147 -1.757) 26.565 11.586 ( 17.232 6.106 -21.167) 27.969 11.704 ( 8.137 5.914 1.066) 10.116 12.722 ( 0.154 -3.175 -0.930) 3.312 12.976 ( -1.057 -6.150 -4.670) 7.794 13.314 ( -7.496 1.864 2.278) 8.053 13.865 ( 4.637 3.448 5.486) 7.968 14.347 ( 9.387 -16.580 -5.249) 19.763 17.386 ( -4.635 -3.558 15.797) 16.843 18.686 ( 1.308 -0.744 -19.585) 19.643 19.551 ( 4.744 5.463 4.474) 8.507 19.613 ( 10.086 -0.428 1.999) 10.291 20.614 ( -0.652 -0.938 -3.247) 3.442 22.705 ( -12.425 -13.185 -0.844) 18.136 23.740 ( 7.756 15.064 0.221) 16.945 24.696 ( 1.166 -7.212 7.434) 10.423 ======================= Grid point 643 (317/432) ======================= q-point: (-0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -6.353 10.891 8.392) 15.145 2.576 ( -12.888 9.585 10.850) 19.383 3.332 ( 5.895 -6.424 1.074) 8.784 3.388 ( -2.005 -5.161 -0.506) 5.560 3.741 ( -7.094 -13.098 -0.137) 14.896 3.907 ( 4.937 8.731 3.857) 10.746 4.200 ( -16.028 -2.810 -2.962) 16.540 4.788 ( 3.561 -6.455 -0.927) 7.430 5.138 ( 2.865 -7.043 6.901) 10.268 5.581 ( 4.495 0.197 5.346) 6.987 5.863 ( -1.116 1.242 9.845) 9.986 6.270 ( -0.979 0.079 -0.183) 0.999 6.366 ( -4.192 0.275 4.018) 5.813 6.914 ( -10.428 -9.800 -2.570) 14.540 7.488 ( 4.863 0.328 -10.826) 11.872 8.084 ( -8.365 -4.993 3.298) 10.285 9.084 ( -0.576 6.986 12.967) 14.740 9.454 ( -11.525 -14.965 5.487) 19.670 9.752 ( 1.426 4.354 1.935) 4.973 9.914 ( -8.118 -1.163 8.781) 12.015 10.713 ( -0.264 21.711 0.775) 21.727 11.494 ( 15.512 8.307 -20.808) 27.250 11.749 ( 7.453 5.302 -2.115) 9.388 12.700 ( -5.054 -0.254 -0.587) 5.094 12.983 ( 1.850 -4.248 -3.168) 5.613 13.238 ( -7.193 1.760 4.750) 8.798 13.897 ( 0.761 5.953 1.313) 6.144 14.501 ( 7.600 -13.207 -9.902) 18.172 17.624 ( 1.096 -9.166 18.360) 20.551 18.498 ( 6.202 -1.263 -20.453) 21.410 19.545 ( -1.046 4.427 -1.451) 4.775 19.802 ( 17.913 1.407 -1.051) 17.998 20.579 ( -3.335 0.139 0.040) 3.338 22.684 ( -10.739 -16.927 1.584) 20.109 23.698 ( 5.584 12.742 -1.844) 14.034 24.754 ( -6.937 -2.685 1.192) 7.533 ======================= Grid point 644 (318/432) ======================= q-point: (-0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -3.084 13.044 15.944) 20.830 2.491 ( -9.390 10.619 15.097) 20.708 3.374 ( -4.056 -3.601 -1.787) 5.711 3.433 ( 2.613 -3.417 -0.676) 4.354 3.751 ( -7.904 -11.152 1.303) 13.731 3.889 ( 4.727 9.840 -3.094) 11.347 4.069 ( -7.611 -8.063 -1.349) 11.169 4.823 ( -1.663 -2.279 -0.736) 2.916 5.348 ( 6.894 -4.631 5.810) 10.136 5.711 ( 7.622 1.439 6.820) 10.329 5.981 ( 2.191 0.117 10.148) 10.382 6.297 ( 4.901 -2.779 -0.305) 5.642 6.461 ( -0.729 -5.689 12.229) 13.507 6.833 ( -12.425 -9.461 1.252) 15.667 7.386 ( 1.756 1.790 -12.354) 12.606 8.132 ( -5.131 -12.443 6.392) 14.900 9.189 ( -0.867 7.295 16.892) 18.420 9.521 ( -6.811 -11.931 6.986) 15.412 9.687 ( -3.137 10.315 1.262) 10.855 9.924 ( -7.990 -4.171 6.811) 11.297 10.559 ( -2.100 17.276 3.367) 17.726 11.378 ( 14.233 10.439 -19.219) 26.095 11.755 ( 5.049 2.640 -6.267) 8.470 12.579 ( -9.285 1.820 -2.065) 9.684 13.023 ( 3.551 -0.584 0.729) 3.672 13.206 ( -4.750 2.244 5.291) 7.456 13.832 ( -2.346 8.400 0.350) 8.729 14.535 ( 5.281 -10.406 -15.345) 19.278 17.887 ( 3.685 -7.708 3.924) 9.402 18.490 ( 12.782 -9.720 -5.851) 17.091 19.434 ( -5.221 2.191 -5.234) 7.710 20.004 ( 17.351 1.217 -3.759) 17.795 20.525 ( -0.616 5.601 0.968) 5.717 22.737 ( -10.846 -20.623 3.594) 23.577 23.637 ( 5.078 10.253 -3.897) 12.088 24.585 ( -14.958 3.534 -4.811) 16.105 ======================= Grid point 645 (319/432) ======================= q-point: (-0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.288 8.666 16.119) 18.303 2.506 ( -6.863 9.716 20.074) 23.334 3.285 ( -7.535 -2.957 -4.064) 9.057 3.469 ( 3.411 -2.295 -4.053) 5.774 3.754 ( -6.954 -8.180 1.592) 10.854 3.836 ( 7.141 7.872 -7.074) 12.767 4.070 ( -0.179 -6.433 -0.266) 6.441 4.782 ( -2.912 4.170 0.280) 5.094 5.474 ( 1.611 -1.153 4.496) 4.913 5.939 ( 11.198 -2.319 7.948) 13.926 6.120 ( 0.936 1.267 9.740) 9.866 6.433 ( 10.186 -5.207 0.627) 11.457 6.656 ( 0.657 -6.827 6.333) 9.336 6.834 ( -9.231 -10.026 14.709) 20.052 7.238 ( -0.430 2.796 -10.338) 10.718 8.282 ( -5.705 -19.066 8.510) 21.644 9.302 ( -5.720 6.613 17.197) 19.292 9.516 ( 5.567 14.850 -2.236) 16.016 9.703 ( -7.787 -10.057 14.762) 19.486 9.930 ( -10.190 -9.255 5.974) 15.006 10.437 ( -1.157 17.902 4.138) 18.410 11.250 ( 12.987 13.374 -16.100) 24.632 11.661 ( -0.588 0.195 -13.378) 13.392 12.416 ( -10.630 -0.882 -2.494) 10.954 13.099 ( 3.857 2.860 5.235) 7.104 13.190 ( -0.258 4.970 2.984) 5.803 13.719 ( -4.007 8.749 0.210) 9.625 14.477 ( 3.799 -8.904 -18.112) 20.537 17.945 ( 7.248 -3.030 -9.213) 12.107 18.796 ( 8.941 -19.803 3.625) 22.028 19.280 ( -2.113 3.051 -6.302) 7.314 20.051 ( -1.871 0.866 -6.557) 6.873 20.595 ( 19.076 9.448 4.949) 21.856 22.794 ( -15.656 -22.447 2.605) 27.491 23.578 ( 6.970 8.220 -5.850) 12.262 24.228 ( -19.532 9.414 -6.668) 22.684 ======================= Grid point 646 (320/432) ======================= q-point: (-0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 1.764 3.092 13.916) 14.364 2.605 ( -4.819 6.461 22.501) 23.901 3.163 ( -5.465 -2.032 -5.258) 7.851 3.462 ( 2.363 -3.051 -7.530) 8.461 3.698 ( -6.423 -5.519 -7.107) 11.055 3.803 ( 7.971 5.055 -5.784) 11.070 4.158 ( 4.483 -1.935 3.373) 5.935 4.679 ( -3.569 8.870 -1.768) 9.723 5.572 ( 1.489 -0.374 9.160) 9.288 6.129 ( -2.506 -2.277 9.736) 10.308 6.220 ( 5.121 1.434 3.700) 6.478 6.621 ( 9.978 -4.341 0.108) 10.882 6.695 ( -2.616 -2.651 -0.601) 3.773 7.063 ( -1.948 -4.023 6.569) 7.946 7.182 ( 1.389 -7.071 13.853) 15.615 8.484 ( -7.213 -25.100 8.061) 27.332 9.277 ( -8.675 8.887 11.314) 16.800 9.544 ( 8.193 9.416 5.660) 13.705 9.808 ( -7.264 5.455 14.565) 17.166 9.976 ( -10.268 -12.545 4.834) 16.917 10.342 ( 1.159 9.438 3.128) 10.010 11.137 ( 12.507 16.189 -9.176) 22.421 11.466 ( -0.639 -0.699 -16.931) 16.958 12.241 ( -13.288 -5.599 -6.885) 15.979 13.161 ( -1.346 9.500 9.627) 13.592 13.213 ( 9.614 4.485 -1.476) 10.711 13.604 ( -4.241 5.221 0.487) 6.745 14.383 ( 2.810 -7.747 -17.258) 19.125 17.972 ( 10.320 -1.650 -8.518) 13.483 18.850 ( -13.847 -10.834 -11.659) 21.096 19.370 ( 16.599 -4.063 2.913) 17.336 19.864 ( -11.167 3.018 -4.248) 12.323 20.934 ( 28.259 6.031 9.226) 30.333 22.704 ( -24.638 -17.849 -4.181) 30.709 23.563 ( 10.478 5.509 -5.788) 13.178 23.832 ( -17.562 10.423 -3.203) 20.671 ======================= Grid point 647 (321/432) ======================= q-point: (-0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 2.965 0.383 11.898) 12.268 2.797 ( -0.605 1.600 22.290) 22.356 3.064 ( -2.097 -1.101 -5.737) 6.207 3.419 ( 1.300 -3.582 -8.122) 8.971 3.553 ( -4.207 -2.137 -10.749) 11.740 3.781 ( 4.179 3.182 -7.007) 8.757 4.267 ( 3.874 0.156 3.235) 5.050 4.514 ( -2.106 11.175 -3.859) 12.008 5.726 ( 1.645 -1.153 11.784) 11.954 6.165 ( -8.716 -0.802 7.839) 11.750 6.286 ( 0.979 0.218 1.965) 2.206 6.619 ( -8.017 1.346 1.269) 8.228 6.769 ( 8.086 -3.915 -2.393) 9.297 7.039 ( -0.616 0.111 -3.640) 3.693 7.608 ( 4.880 -10.035 30.138) 32.137 8.663 ( -10.583 -28.545 1.906) 30.504 9.283 ( -4.116 5.032 14.857) 16.217 9.596 ( -0.866 16.649 5.014) 17.409 9.711 ( -4.349 8.245 -3.076) 9.816 9.999 ( -8.634 -1.363 19.940) 21.772 10.387 ( 5.063 -5.082 -7.098) 10.092 11.163 ( 14.810 11.604 6.455) 19.891 11.299 ( 4.309 0.124 -16.983) 17.521 12.009 ( -12.550 -7.604 -12.412) 19.219 13.131 ( -3.536 11.270 5.379) 12.979 13.285 ( 11.473 5.985 -3.044) 13.293 13.568 ( -2.917 -0.988 4.939) 5.820 14.286 ( 1.849 -5.650 -14.713) 15.869 18.050 ( 12.044 -0.605 -4.810) 12.983 18.532 ( -15.013 -2.051 -16.957) 22.741 19.582 ( -7.059 -4.165 3.338) 8.850 19.719 ( 5.170 0.449 -0.442) 5.208 21.408 ( 28.833 1.731 13.455) 31.865 22.359 ( -27.785 -7.280 -12.477) 31.316 23.554 ( -12.252 5.700 0.106) 13.513 23.624 ( 11.350 2.236 -3.581) 12.110 ======================= Grid point 650 (322/432) ======================= q-point: ( 0.18 0.18 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -4.074 -0.000 -12.256) 12.915 2.871 ( -9.046 -0.000 -0.410) 9.056 3.112 ( -1.411 -0.000 -9.510) 9.614 3.318 ( -3.299 -0.000 4.106) 5.267 3.462 ( 10.486 0.000 -1.563) 10.602 3.833 ( 1.444 0.000 13.484) 13.561 4.275 ( 7.811 0.000 3.648) 8.621 4.614 ( -0.702 -0.000 -0.732) 1.014 5.420 ( -25.659 -0.000 -2.317) 25.764 5.497 ( -11.524 -0.000 -1.951) 11.688 6.070 ( -11.600 -0.000 3.953) 12.255 6.308 ( -9.741 -0.000 9.089) 13.323 6.856 ( 0.417 0.000 -2.101) 2.142 6.971 ( 0.259 0.000 -5.970) 5.976 7.676 ( -2.779 -0.000 -13.180) 13.470 8.779 ( -14.467 -0.000 7.403) 16.251 9.031 ( -11.368 -0.000 15.948) 19.585 9.426 ( -3.542 -0.000 -8.210) 8.942 9.532 ( -4.627 -0.000 -13.297) 14.079 9.865 ( -7.798 -0.000 16.941) 18.650 11.255 ( 20.954 0.000 -7.462) 22.243 11.365 ( 11.206 0.000 13.996) 17.929 11.736 ( 19.899 0.000 -20.915) 28.869 12.586 ( 4.076 0.000 1.750) 4.436 13.053 ( 15.409 0.000 7.942) 17.335 13.159 ( -6.299 -0.000 -9.117) 11.081 13.720 ( -11.825 -0.000 15.082) 19.165 13.894 ( 8.132 0.000 -12.372) 14.805 17.425 ( -10.743 -0.000 1.699) 10.876 19.000 ( -5.168 -0.000 0.296) 5.177 19.094 ( 11.715 0.000 11.237) 16.233 19.534 ( -12.044 -0.000 3.528) 12.550 20.867 ( 2.608 0.000 -18.899) 19.078 22.825 ( -12.304 -0.000 2.411) 12.538 23.707 ( 19.049 0.000 13.179) 23.163 24.113 ( 7.592 0.000 0.986) 7.655 ======================= Grid point 651 (323/432) ======================= q-point: (-0.73 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -1.132 -2.106 -9.141) 9.449 2.789 ( -7.524 -2.621 4.965) 9.388 2.978 ( -0.007 1.509 -9.703) 9.819 3.318 ( -4.953 -3.804 2.030) 6.567 3.560 ( 4.210 -1.638 -0.260) 4.525 3.966 ( -0.493 6.897 13.365) 15.047 4.437 ( 8.601 0.562 5.280) 10.108 4.608 ( -3.992 -7.887 -1.244) 8.927 5.038 ( -25.745 -0.188 -3.104) 25.932 5.388 ( -5.435 -1.633 1.357) 5.835 5.967 ( -10.693 2.119 5.296) 12.119 6.296 ( -7.913 0.455 8.798) 11.842 6.770 ( -4.523 6.341 -4.564) 9.027 6.899 ( -4.304 -7.543 -6.125) 10.627 7.561 ( 4.365 0.716 -9.162) 10.174 8.562 ( -17.784 5.082 -2.440) 18.656 9.082 ( -7.860 3.777 15.664) 17.927 9.219 ( -9.368 -10.598 -10.424) 17.571 9.529 ( 5.838 -2.690 -0.144) 6.429 9.927 ( -11.770 1.376 16.966) 20.695 11.397 ( 17.302 13.058 -3.594) 21.973 11.609 ( 9.306 -0.343 3.748) 10.038 11.728 ( 20.591 4.039 -20.998) 29.685 12.627 ( 2.016 -2.743 -0.780) 3.492 12.968 ( -6.932 -1.825 -7.801) 10.594 13.312 ( 7.359 -2.685 1.611) 7.997 13.786 ( -2.093 3.700 15.461) 16.034 13.915 ( 7.678 -9.161 -6.535) 13.623 17.336 ( -10.735 0.259 7.706) 13.218 18.848 ( -3.408 -0.775 -11.781) 12.289 19.436 ( 10.978 2.133 16.022) 19.539 19.493 ( -0.721 -1.222 3.780) 4.038 20.697 ( 1.699 0.324 -15.059) 15.158 22.673 ( -14.253 -3.803 -0.532) 14.761 23.993 ( 11.476 14.616 8.554) 20.457 24.278 ( 6.836 -11.971 5.458) 14.826 ======================= Grid point 652 (324/432) ======================= q-point: (-0.64 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 1.092 3.203 -1.572) 3.731 2.806 ( -12.006 4.063 12.364) 17.706 2.936 ( 9.903 -10.356 -7.152) 16.014 3.305 ( -4.409 -5.930 -0.192) 7.392 3.586 ( -2.935 -4.164 -0.505) 5.119 4.018 ( -2.753 9.708 12.047) 15.715 4.489 ( -12.920 2.359 -2.428) 13.356 4.603 ( 0.995 -5.376 0.761) 5.520 4.835 ( -6.194 -8.699 4.628) 11.639 5.420 ( 1.611 -2.843 4.877) 5.871 5.895 ( -8.402 3.677 8.645) 12.603 6.295 ( -5.349 1.054 7.071) 8.929 6.567 ( -7.897 5.239 -6.416) 11.444 6.828 ( -7.835 -9.369 -5.357) 13.337 7.528 ( 4.744 -0.035 -7.798) 9.128 8.244 ( -16.403 3.406 -5.221) 17.547 9.098 ( -3.131 -4.609 0.574) 5.601 9.179 ( -7.395 -4.902 9.026) 12.656 9.660 ( 6.545 -1.982 4.111) 7.979 9.932 ( -15.130 1.518 16.677) 22.568 11.363 ( 9.287 26.304 -3.299) 28.090 11.650 ( 17.350 2.203 -21.095) 27.402 11.800 ( 13.004 3.163 -3.269) 13.777 12.670 ( 0.815 -2.937 -0.032) 3.048 12.860 ( -3.563 -6.520 -4.208) 8.538 13.330 ( -5.554 0.048 1.444) 5.739 13.884 ( 6.505 -1.395 -2.453) 7.091 14.115 ( 6.831 -9.357 6.877) 13.473 17.340 ( -8.009 -1.896 13.853) 16.113 18.659 ( -0.094 -1.676 -18.836) 18.911 19.604 ( 11.357 -0.357 2.465) 11.627 19.671 ( 6.052 7.074 9.756) 13.485 20.572 ( -0.990 -3.266 -8.937) 9.566 22.529 ( -13.992 -7.361 0.097) 15.810 24.015 ( 6.095 17.066 1.864) 18.217 24.534 ( 2.095 -11.971 7.521) 14.292 ======================= Grid point 653 (325/432) ======================= q-point: (-0.55 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 1.060 10.392 8.269) 13.323 2.717 ( -9.568 7.786 8.055) 14.733 3.154 ( 6.466 -12.804 2.782) 14.612 3.312 ( -1.041 -5.750 -0.517) 5.866 3.560 ( -6.689 -7.819 -0.835) 10.324 4.021 ( -5.986 4.068 8.111) 10.871 4.230 ( -10.460 6.086 -3.413) 12.574 4.660 ( -1.570 -8.677 -0.003) 8.817 5.012 ( 5.450 -6.515 10.338) 13.380 5.562 ( 5.525 -2.523 6.233) 8.703 5.903 ( -4.886 3.152 12.962) 14.206 6.287 ( -1.692 1.880 -0.320) 2.549 6.386 ( -7.150 1.767 1.147) 7.454 6.732 ( -11.451 -11.065 -3.870) 16.387 7.487 ( 2.834 -0.404 -8.507) 8.976 8.005 ( -11.913 -3.712 -3.407) 12.935 9.134 ( -2.420 -10.511 0.725) 10.811 9.252 ( -4.991 1.447 14.242) 15.161 9.800 ( 7.008 1.844 3.922) 8.239 9.902 ( -17.889 0.193 17.016) 24.690 11.167 ( 4.822 28.950 -4.649) 29.715 11.587 ( 16.439 3.239 -23.523) 28.880 11.878 ( 12.506 8.226 -3.925) 15.474 12.680 ( -3.193 -1.831 0.319) 3.695 12.879 ( 0.808 -7.458 -0.738) 7.538 13.262 ( -7.663 0.763 4.020) 8.687 13.927 ( 4.214 -2.738 -5.372) 7.356 14.317 ( 4.377 -7.290 1.849) 8.702 17.492 ( -2.742 -6.362 18.423) 19.682 18.452 ( 3.191 -3.345 -23.226) 23.681 19.688 ( 0.102 11.203 1.123) 11.260 19.820 ( 18.686 0.739 -0.751) 18.716 20.527 ( -1.958 -5.849 -2.473) 6.646 22.449 ( -12.335 -10.696 2.696) 16.547 23.943 ( 3.857 15.689 -1.145) 16.197 24.661 ( -5.734 -8.169 3.174) 10.473 ======================= Grid point 654 (326/432) ======================= q-point: (-0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -1.950 13.473 13.764) 19.359 2.642 ( -8.041 8.109 11.414) 16.146 3.276 ( -3.889 -8.167 -0.593) 9.065 3.380 ( 3.482 -3.431 1.624) 5.151 3.545 ( -5.199 -11.691 -2.060) 12.960 3.973 ( -9.807 -3.383 4.909) 11.477 4.092 ( 5.020 12.801 -3.033) 14.080 4.724 ( -1.455 -8.843 1.532) 9.092 5.262 ( 6.333 -5.324 9.356) 12.489 5.721 ( 5.979 -0.445 6.335) 8.723 6.003 ( -0.468 2.150 13.421) 13.600 6.258 ( 3.094 -1.876 -1.524) 3.926 6.394 ( -4.525 -2.147 10.385) 11.530 6.648 ( -11.311 -11.597 -0.577) 16.210 7.407 ( 0.850 0.759 -9.469) 9.537 7.924 ( -7.904 -11.914 -0.426) 14.304 9.227 ( -2.957 -10.702 6.520) 12.876 9.344 ( -4.011 1.905 14.089) 14.772 9.836 ( -11.024 3.547 9.397) 14.914 9.906 ( -2.014 3.795 9.682) 10.592 10.935 ( 3.026 25.495 -3.464) 25.907 11.493 ( 16.083 3.588 -23.974) 29.090 11.886 ( 10.238 12.008 -6.546) 17.084 12.598 ( -9.141 0.316 -1.976) 9.357 12.973 ( 3.443 -4.740 2.823) 6.503 13.235 ( -4.569 0.603 6.166) 7.697 13.913 ( 0.970 0.231 -4.699) 4.804 14.383 ( 0.511 -6.256 -5.285) 8.206 17.755 ( 1.921 -7.734 13.834) 15.965 18.315 ( 6.857 -9.852 -17.573) 21.281 19.549 ( -3.245 10.231 -4.459) 11.622 20.014 ( 13.067 -0.129 -3.477) 13.522 20.563 ( 6.305 -0.889 0.116) 6.369 22.443 ( -11.699 -13.876 4.788) 18.771 23.839 ( 3.114 13.264 -3.268) 14.011 24.588 ( -13.197 -2.892 -2.450) 13.730 ======================= Grid point 655 (327/432) ======================= q-point: (-0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -3.845 10.400 13.058) 17.130 2.644 ( -7.253 7.031 16.562) 19.399 3.225 ( -7.568 -4.206 -2.701) 9.069 3.435 ( 1.296 -1.951 -1.523) 2.794 3.566 ( -2.218 -12.716 -4.663) 13.724 4.004 ( 6.394 8.729 -3.632) 11.414 4.014 ( 0.563 1.738 4.973) 5.298 4.784 ( -1.344 -4.017 1.793) 4.600 5.449 ( 3.386 -2.023 6.881) 7.931 5.893 ( 6.462 -2.942 7.368) 10.232 6.149 ( 3.501 2.132 10.115) 10.914 6.355 ( 6.706 -4.013 2.060) 8.082 6.542 ( -0.976 -7.349 13.407) 15.320 6.638 ( -8.815 -11.379 6.374) 15.742 7.280 ( -1.453 2.184 -9.366) 9.726 7.966 ( -7.470 -18.420 2.080) 19.986 9.375 ( -5.677 -1.107 15.933) 16.951 9.454 ( 0.058 -9.196 7.983) 12.178 9.746 ( -11.902 6.267 8.953) 16.158 9.936 ( -2.482 8.713 10.213) 13.652 10.759 ( 2.734 19.629 -1.183) 19.853 11.405 ( 16.772 4.260 -22.419) 28.321 11.765 ( 3.764 13.465 -12.215) 18.566 12.415 ( -12.904 0.237 -3.655) 13.414 13.099 ( 3.934 -1.951 5.319) 6.898 13.269 ( 0.960 3.346 6.305) 7.202 13.844 ( -2.429 4.545 -2.166) 5.590 14.330 ( -1.415 -7.187 -11.605) 13.724 17.894 ( 6.723 -2.869 -5.525) 9.163 18.454 ( 5.040 -19.845 2.456) 20.622 19.372 ( -1.112 7.308 -6.460) 9.817 20.036 ( -3.166 -2.465 -5.596) 6.886 20.737 ( 22.767 6.975 1.750) 23.876 22.463 ( -14.089 -16.473 4.344) 22.107 23.737 ( 4.014 10.403 -4.757) 12.123 24.329 ( -17.985 2.899 -5.934) 19.160 ======================= Grid point 656 (328/432) ======================= q-point: (-0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.612 4.887 11.915) 12.978 2.707 ( -6.339 5.660 19.135) 20.937 3.123 ( -5.782 -2.748 -3.944) 7.519 3.416 ( -0.648 -2.642 -5.550) 6.181 3.566 ( -1.488 -9.039 -7.802) 12.033 3.913 ( 6.676 7.699 -8.818) 13.476 4.166 ( 5.957 2.078 9.675) 11.550 4.781 ( -1.468 2.835 -0.530) 3.236 5.573 ( 1.823 0.381 9.069) 9.258 6.070 ( 0.848 -4.859 7.026) 8.585 6.255 ( 2.634 2.823 5.472) 6.697 6.535 ( 10.272 -5.552 0.689) 11.697 6.652 ( -1.854 -2.465 4.262) 5.261 6.875 ( -2.169 -15.933 21.830) 27.113 7.143 ( -2.308 0.644 -5.095) 5.631 8.072 ( -8.182 -23.724 2.630) 25.232 9.407 ( -10.250 5.979 13.287) 17.815 9.671 ( -5.782 4.622 9.449) 12.003 9.691 ( 1.983 -13.471 7.801) 15.692 9.962 ( -2.875 10.245 15.634) 18.912 10.614 ( -0.122 17.836 -1.704) 17.918 11.350 ( 17.800 5.825 -18.337) 26.211 11.514 ( 0.811 11.245 -15.115) 18.857 12.178 ( -15.363 -1.994 -7.318) 17.133 13.222 ( 1.978 -0.785 7.189) 7.498 13.341 ( 7.509 8.710 4.905) 12.502 13.723 ( -5.926 7.768 -0.287) 9.774 14.229 ( -0.586 -9.780 -14.913) 17.844 17.940 ( 10.567 -2.056 -7.612) 13.184 18.634 ( -7.633 -14.164 -0.117) 16.090 19.328 ( 9.826 -0.902 -3.113) 10.346 19.883 ( -9.982 -0.790 -6.341) 11.853 21.056 ( 28.276 8.066 6.027) 30.015 22.415 ( -19.045 -15.948 -0.480) 24.845 23.673 ( 6.454 7.242 -4.942) 10.887 23.978 ( -18.043 6.827 -5.330) 20.015 ======================= Grid point 657 (329/432) ======================= q-point: (-0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.391 1.134 11.202) 11.345 2.830 ( -2.641 2.333 18.143) 18.482 3.042 ( -2.029 -1.317 -4.235) 4.877 3.351 ( -1.843 -4.350 -6.974) 8.424 3.502 ( -0.823 -3.513 -9.195) 9.877 3.845 ( 5.619 4.211 -9.147) 11.531 4.315 ( 4.211 4.403 7.687) 9.808 4.689 ( -0.220 8.922 -3.701) 9.662 5.710 ( 0.816 -0.414 11.433) 11.470 6.137 ( -6.460 -2.828 5.718) 9.079 6.300 ( 0.157 1.635 2.140) 2.698 6.645 ( -6.173 1.409 2.321) 6.744 6.691 ( 6.759 -5.022 -0.974) 8.477 7.027 ( -0.959 -1.909 -1.028) 2.371 7.380 ( 6.164 -16.175 25.252) 30.615 8.189 ( -9.922 -27.475 -0.196) 29.212 9.379 ( -7.352 5.975 13.175) 16.228 9.693 ( -4.660 2.068 10.383) 11.567 9.838 ( -4.804 -3.838 2.571) 6.665 10.055 ( -0.130 10.680 16.823) 19.927 10.431 ( -0.039 11.591 -3.293) 12.049 11.303 ( 6.234 0.371 -16.985) 18.097 11.378 ( 17.752 13.613 -5.545) 23.048 11.889 ( -15.109 -5.432 -12.140) 20.129 13.309 ( -1.635 5.238 7.819) 9.552 13.411 ( 9.077 10.307 2.127) 13.898 13.583 ( -4.891 4.486 0.144) 6.638 14.150 ( 1.101 -10.323 -13.944) 17.384 18.037 ( 11.931 -0.895 -3.401) 12.439 18.489 ( -13.071 -2.953 -10.162) 16.817 19.486 ( 1.669 -7.050 1.234) 7.349 19.719 ( -1.377 -0.621 -3.868) 4.153 21.454 ( 23.782 3.818 11.543) 26.709 22.211 ( -19.193 -9.631 -8.909) 23.248 23.659 ( -11.461 5.319 -2.063) 12.802 23.682 ( 6.094 5.406 -3.554) 8.888 ======================= Grid point 658 (330/432) ======================= q-point: (-0.09 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 4.078 -0.818 10.286) 11.095 2.973 ( 1.010 -0.571 -1.715) 2.071 3.022 ( 0.551 -1.730 10.321) 10.479 3.304 ( -1.326 -5.546 -4.249) 7.111 3.409 ( -0.419 0.712 -6.396) 6.449 3.755 ( 3.162 4.436 -10.724) 12.028 4.325 ( -4.634 6.649 1.630) 8.267 4.610 ( 7.598 10.654 -1.568) 13.180 5.837 ( -3.479 -1.900 10.318) 11.054 6.083 ( -9.897 -1.091 0.631) 9.976 6.291 ( -4.548 -0.259 2.998) 5.454 6.545 ( -11.353 2.602 4.436) 12.463 6.778 ( 4.164 -4.909 -3.060) 7.127 7.018 ( 1.348 1.720 -1.552) 2.680 7.915 ( 7.030 -15.454 27.298) 32.147 8.244 ( -12.191 -27.122 -5.952) 30.325 9.443 ( -3.843 1.752 15.398) 15.967 9.615 ( -15.923 15.253 -2.010) 22.141 9.718 ( -3.914 4.130 4.963) 7.550 10.185 ( 3.802 0.320 9.140) 9.905 10.419 ( 7.439 5.554 2.620) 9.646 11.166 ( 1.626 0.787 -16.762) 16.859 11.525 ( 13.764 4.672 5.437) 15.519 11.689 ( 3.552 -6.840 -11.901) 14.178 13.213 ( -5.436 13.480 0.709) 14.552 13.464 ( 7.856 8.795 -0.307) 11.797 13.570 ( -3.348 -3.402 6.270) 7.880 14.101 ( 2.760 -6.861 -12.018) 14.111 18.128 ( -6.101 -0.276 -7.640) 9.781 18.235 ( 5.757 2.227 -4.639) 7.721 19.420 ( -13.849 -3.064 1.977) 14.321 19.802 ( 6.296 -2.654 0.120) 6.834 21.671 ( -17.084 -9.477 -3.295) 19.812 22.102 ( 22.002 5.229 3.178) 22.837 23.442 ( -10.270 4.251 -0.838) 11.146 23.754 ( 10.160 1.878 -1.193) 10.401 ======================= Grid point 662 (331/432) ======================= q-point: ( 0.27 -0.73 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 5.787 0.000 -0.253) 5.793 2.798 ( -0.802 -0.000 9.101) 9.136 2.885 ( 0.208 0.000 -7.176) 7.179 3.242 ( -5.901 -0.000 0.569) 5.928 3.554 ( -4.048 -0.000 0.486) 4.077 4.121 ( -6.681 -0.000 13.641) 15.189 4.490 ( -4.826 -0.000 -2.779) 5.569 4.552 ( -6.345 -0.000 0.157) 6.347 4.767 ( -5.298 -0.000 6.101) 8.080 5.393 ( 1.721 0.000 4.336) 4.665 5.929 ( -9.441 -0.000 9.486) 13.383 6.305 ( -5.189 -0.000 7.229) 8.898 6.648 ( -8.741 -0.000 -9.422) 12.852 6.709 ( -8.396 -0.000 -2.655) 8.806 7.526 ( 4.041 0.000 -7.879) 8.855 8.285 ( -18.236 -0.000 -7.425) 19.690 8.981 ( -3.365 -0.000 -6.888) 7.666 9.207 ( -7.167 -0.000 18.566) 19.901 9.639 ( 9.517 0.000 3.127) 10.017 9.947 ( -16.214 -0.000 17.186) 23.627 11.635 ( 15.924 0.000 -9.355) 18.468 11.701 ( 3.500 0.000 -1.994) 4.028 11.768 ( 24.113 0.000 -19.280) 30.874 12.638 ( -0.305 -0.000 2.396) 2.416 12.799 ( -4.314 -0.000 -5.083) 6.667 13.327 ( -4.325 -0.000 1.135) 4.472 13.854 ( 8.671 0.000 -11.174) 14.144 14.048 ( 4.144 0.000 17.111) 17.605 17.324 ( -9.214 -0.000 13.156) 16.062 18.644 ( -0.580 -0.000 -18.573) 18.582 19.601 ( 12.187 0.000 2.569) 12.455 19.739 ( 6.143 0.000 13.347) 14.692 20.538 ( -1.223 -0.000 -12.624) 12.683 22.467 ( -14.124 -0.000 0.405) 14.129 24.261 ( 3.023 0.000 -0.904) 3.155 24.333 ( 4.587 0.000 11.019) 11.936 ======================= Grid point 664 (332/432) ======================= q-point: (-0.64 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 5.337 6.049 8.076) 11.415 2.825 ( -0.273 3.186 -1.178) 3.407 2.975 ( 4.390 -5.470 10.714) 12.806 3.201 ( -3.106 -5.840 -0.296) 6.621 3.479 ( -8.677 -2.178 0.151) 8.947 4.063 ( -16.505 1.301 6.716) 17.867 4.353 ( -3.233 7.508 -1.664) 8.342 4.511 ( -4.119 -8.484 2.071) 9.656 4.947 ( 6.917 -1.483 12.023) 13.950 5.516 ( 5.775 -2.057 6.072) 8.628 5.950 ( -7.253 1.820 14.578) 16.384 6.322 ( -1.059 1.607 2.475) 3.135 6.421 ( -9.153 2.282 -3.860) 10.192 6.574 ( -12.452 -6.725 -2.621) 14.393 7.479 ( 2.444 -0.368 -7.611) 8.002 7.969 ( -14.729 -0.864 -8.789) 17.173 8.949 ( 0.091 -6.813 -1.544) 6.987 9.320 ( -6.446 2.788 18.456) 19.747 9.819 ( 10.262 0.545 4.934) 11.399 9.911 ( -19.634 0.478 17.859) 26.546 11.585 ( 4.735 17.445 -10.044) 20.679 11.620 ( 14.772 1.047 -22.266) 26.741 11.955 ( 19.149 0.129 -5.406) 19.898 12.648 ( -4.009 -1.660 1.962) 4.762 12.770 ( 1.417 -4.110 0.260) 4.355 13.264 ( -7.946 -0.199 2.955) 8.480 13.851 ( 7.227 -3.796 -10.291) 13.136 14.257 ( 1.710 -1.013 10.536) 10.722 17.418 ( -4.863 -2.280 18.006) 18.790 18.409 ( 1.712 -1.435 -24.062) 24.165 19.825 ( 17.862 0.428 -1.590) 17.938 19.865 ( 0.724 7.170 6.265) 9.549 20.418 ( -0.504 -5.327 -7.054) 8.854 22.331 ( -12.016 -3.427 3.223) 12.904 24.194 ( 0.862 12.864 -1.365) 12.965 24.497 ( -3.917 -10.145 5.059) 11.994 ======================= Grid point 665 (333/432) ======================= q-point: (-0.55 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -2.442 8.737 11.163) 14.384 2.784 ( -2.289 8.468 5.190) 10.192 3.128 ( -0.524 -7.452 1.125) 7.555 3.293 ( 1.780 -7.790 4.757) 9.300 3.394 ( -7.220 -5.510 -1.395) 9.188 3.953 ( -8.494 0.535 7.242) 11.175 4.281 ( 4.337 8.899 -2.397) 10.186 4.565 ( -3.587 -8.855 3.549) 10.192 5.190 ( 6.195 -2.780 11.669) 13.501 5.689 ( 5.580 -3.061 6.083) 8.804 6.044 ( -4.925 2.454 18.333) 19.141 6.249 ( 0.291 0.978 -4.204) 4.326 6.376 ( -7.131 -0.622 7.593) 10.436 6.476 ( -7.688 -8.234 0.577) 11.280 7.418 ( 1.419 0.729 -7.698) 7.862 7.751 ( -10.166 -8.133 -6.676) 14.631 9.037 ( 1.597 -8.640 3.429) 9.432 9.415 ( -7.193 3.583 17.759) 19.492 9.849 ( -21.908 0.198 18.945) 28.964 9.989 ( 9.897 3.761 4.398) 11.465 11.344 ( 3.544 21.115 -11.839) 24.466 11.527 ( 13.985 1.074 -23.900) 27.712 12.084 ( 16.337 9.557 -6.348) 19.963 12.587 ( -8.851 -1.645 -1.219) 9.085 12.886 ( 5.072 -4.663 4.718) 8.350 13.221 ( -5.930 -1.904 4.913) 7.933 13.856 ( 4.965 -4.862 -9.213) 11.540 14.337 ( -3.947 -0.345 4.747) 6.183 17.643 ( 0.222 -5.105 19.516) 20.173 18.187 ( 4.281 -5.183 -23.865) 24.794 19.740 ( -4.125 11.648 -4.600) 13.185 19.993 ( 5.984 -2.729 -3.396) 7.402 20.513 ( 15.921 -4.148 -0.767) 16.470 22.277 ( -10.651 -6.119 5.158) 13.322 24.060 ( -0.653 12.491 -3.105) 12.887 24.500 ( -10.974 -7.039 -0.274) 13.040 ======================= Grid point 666 (334/432) ======================= q-point: (-0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -8.394 7.648 10.323) 15.347 2.765 ( -3.333 8.140 10.714) 13.862 3.144 ( -5.411 -5.339 -1.492) 7.747 3.346 ( -2.116 -11.324 -5.000) 12.559 3.411 ( 0.759 -2.645 1.566) 3.166 4.020 ( 2.430 1.894 11.793) 12.189 4.201 ( 3.447 11.075 -6.743) 13.416 4.664 ( 0.726 -9.433 2.992) 9.923 5.408 ( 4.626 -2.471 9.853) 11.162 5.836 ( 2.594 -4.171 5.501) 7.375 6.190 ( 0.128 2.713 15.489) 15.725 6.293 ( 4.452 -3.567 2.904) 6.401 6.393 ( -7.487 -8.203 9.970) 14.924 6.525 ( -0.442 -3.180 5.907) 6.723 7.314 ( -1.685 2.089 -8.167) 8.597 7.683 ( -6.959 -14.902 -3.601) 16.837 9.216 ( 3.908 -9.146 8.542) 13.110 9.478 ( -8.610 3.518 16.196) 18.677 9.779 ( -23.155 0.191 20.034) 30.620 10.109 ( 9.324 8.552 3.635) 13.164 11.083 ( 2.764 18.625 -10.565) 21.591 11.432 ( 14.284 0.409 -22.875) 26.972 12.048 ( 10.720 17.424 -11.692) 23.563 12.415 ( -13.662 -0.260 -3.881) 14.205 13.050 ( 3.307 -3.161 7.145) 8.484 13.278 ( 2.674 -2.810 5.493) 6.724 13.845 ( 2.605 -3.184 -7.279) 8.361 14.275 ( -8.961 0.249 -0.431) 8.975 17.857 ( 5.789 -1.304 0.203) 5.938 18.160 ( 4.697 -14.830 -0.459) 15.563 19.512 ( -4.269 9.170 -8.178) 13.007 19.971 ( -5.892 -5.308 -4.830) 9.285 20.820 ( 29.327 2.989 -0.277) 29.480 22.253 ( -12.324 -8.703 4.667) 15.793 23.912 ( -0.505 10.100 -4.246) 10.968 24.334 ( -15.563 -1.965 -4.312) 16.268 ======================= Grid point 667 (335/432) ======================= q-point: (-0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -5.682 4.603 10.105) 12.474 2.803 ( -4.053 6.012 13.956) 15.727 3.072 ( -5.571 -3.280 -2.658) 6.989 3.347 ( -1.437 -6.760 -6.456) 9.458 3.442 ( 1.720 -4.395 -2.998) 5.591 4.049 ( 0.559 8.118 -8.392) 11.689 4.208 ( 7.203 2.695 11.020) 13.439 4.771 ( 3.085 -3.502 0.497) 4.693 5.577 ( 2.728 -0.176 9.574) 9.957 5.967 ( 0.377 -7.259 5.345) 9.023 6.309 ( 0.860 3.317 7.401) 8.156 6.446 ( 8.269 -5.010 2.157) 9.906 6.591 ( -2.446 -9.720 14.493) 17.621 6.636 ( 0.543 -5.717 13.175) 14.373 7.163 ( -5.319 1.382 -6.347) 8.396 7.713 ( -5.440 -18.548 -2.498) 19.491 9.454 ( -2.184 -4.181 13.964) 14.739 9.521 ( -2.324 -1.521 10.497) 10.858 9.716 ( -21.562 0.625 21.009) 30.111 10.177 ( 8.116 13.092 5.269) 16.280 10.873 ( 1.478 13.283 -8.191) 15.675 11.369 ( 13.604 -0.478 -19.951) 24.152 11.820 ( 6.650 21.462 -15.780) 27.456 12.166 ( -15.217 0.248 -6.932) 16.723 13.177 ( -0.961 -3.936 7.588) 8.602 13.446 ( 11.633 2.332 5.531) 13.091 13.804 ( -0.806 0.886 -4.041) 4.215 14.113 ( -10.161 -2.203 -6.208) 12.110 17.908 ( 10.814 -1.665 -7.228) 13.113 18.402 ( -1.349 -12.985 9.280) 16.017 19.338 ( 1.387 1.997 -8.024) 8.384 19.843 ( -8.907 -3.782 -6.384) 11.593 21.186 ( 31.320 7.019 2.057) 32.163 22.189 ( -15.785 -10.834 0.914) 19.167 23.794 ( 1.282 6.971 -4.221) 8.250 24.059 ( -16.308 2.975 -5.285) 17.399 ======================= Grid point 668 (336/432) ======================= q-point: (-0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -0.658 1.924 10.395) 10.592 2.873 ( -3.011 2.696 12.621) 13.252 3.023 ( -0.340 -0.938 -2.085) 2.311 3.276 ( -3.443 -4.463 -6.973) 8.966 3.452 ( 1.765 -2.170 -4.650) 5.427 3.912 ( 1.738 3.402 -9.315) 10.068 4.383 ( 4.694 3.319 8.944) 10.632 4.797 ( 3.819 3.951 -3.200) 6.359 5.713 ( 0.552 0.444 10.744) 10.768 6.061 ( -4.142 -6.433 4.046) 8.654 6.341 ( -1.062 3.106 3.047) 4.479 6.601 ( 7.311 -5.252 -0.950) 9.052 6.666 ( -5.886 0.529 6.430) 8.733 6.952 ( -1.147 -8.477 7.730) 11.530 7.131 ( 4.236 -10.628 13.392) 17.614 7.774 ( -5.864 -21.162 -3.823) 22.289 9.467 ( -11.114 4.288 13.248) 17.816 9.708 ( -12.868 -0.831 16.713) 21.109 9.729 ( 0.178 -6.088 11.097) 12.659 10.246 ( 6.190 11.960 8.878) 16.130 10.670 ( -2.633 13.438 -7.453) 15.591 11.311 ( 9.378 0.498 -17.018) 19.437 11.620 ( 15.157 15.368 -12.064) 24.728 11.855 ( -14.894 1.893 -10.819) 18.506 13.282 ( -2.405 -5.514 8.022) 10.027 13.608 ( 6.121 10.018 5.151) 12.820 13.706 ( -1.054 8.502 -0.713) 8.596 13.962 ( -2.998 -10.766 -11.748) 16.214 18.022 ( 12.214 -0.806 -1.381) 12.319 18.439 ( -9.655 -2.962 -2.215) 10.339 19.358 ( 3.256 -7.687 -1.779) 8.536 19.697 ( -2.795 -1.950 -6.334) 7.193 21.533 ( 17.992 5.409 7.608) 20.270 22.055 ( -8.903 -8.736 -6.737) 14.176 23.725 ( -3.958 3.393 -2.417) 5.746 23.789 ( -5.712 6.203 -3.582) 9.162 ======================= Grid point 669 (337/432) ======================= q-point: (-0.18 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 1.798 -0.295 10.284) 10.444 2.964 ( 1.850 -0.433 4.087) 4.507 3.021 ( 1.751 1.551 1.098) 2.584 3.211 ( -2.610 -5.466 -3.218) 6.859 3.419 ( 0.759 0.772 -4.038) 4.180 3.814 ( 2.542 2.039 -9.550) 10.091 4.439 ( -2.470 6.079 3.484) 7.429 4.772 ( 7.814 8.118 -2.893) 11.634 5.818 ( -3.923 -0.298 10.183) 10.917 6.047 ( -8.656 -3.481 0.794) 9.363 6.302 ( -4.474 1.629 0.586) 4.797 6.588 ( -12.768 2.335 5.513) 14.101 6.701 ( 5.319 -4.272 -2.873) 7.403 7.010 ( 0.875 -3.203 1.404) 3.605 7.619 ( 10.705 -18.678 21.225) 30.232 7.814 ( -7.448 -22.786 -5.998) 24.711 9.466 ( -7.837 1.240 12.974) 15.208 9.711 ( -10.158 0.990 7.316) 12.557 9.833 ( -9.161 4.135 12.106) 15.735 10.274 ( 0.053 9.651 2.554) 9.984 10.519 ( 5.674 6.273 0.588) 8.479 11.199 ( 0.637 3.484 -14.454) 14.882 11.564 ( -2.321 -0.775 -13.455) 13.676 11.689 ( 20.870 8.245 -1.526) 22.492 13.389 ( -2.901 -1.892 8.548) 9.223 13.463 ( -11.283 5.259 0.814) 12.475 13.690 ( 5.058 10.182 -2.498) 11.641 13.972 ( 8.720 -6.866 -7.918) 13.634 18.137 ( -4.109 1.321 -3.473) 5.539 18.268 ( 4.347 1.641 -3.878) 6.052 19.356 ( -9.756 -4.398 0.187) 10.703 19.740 ( 9.166 -4.672 -1.790) 10.443 21.529 ( -22.471 -7.129 -2.778) 23.737 22.171 ( 28.034 2.988 1.048) 28.212 23.524 ( -11.275 5.311 -1.019) 12.504 23.791 ( 7.435 2.347 -0.309) 7.802 ======================= Grid point 670 (338/432) ======================= q-point: (-0.09 -0.73 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -1.508 -1.963 9.345) 9.667 2.957 ( 3.368 1.836 -6.397) 7.459 3.115 ( 5.059 -1.970 3.908) 6.689 3.220 ( -1.236 -4.377 -0.568) 4.583 3.398 ( 0.774 0.044 1.287) 1.502 3.709 ( 2.421 4.938 -9.077) 10.613 4.330 ( -2.964 8.605 -1.970) 9.312 4.799 ( 8.345 9.050 -0.122) 12.311 5.808 ( -14.149 -1.324 5.301) 15.167 5.932 ( -9.318 -0.608 -1.600) 9.473 6.234 ( -7.697 -1.021 2.022) 8.023 6.454 ( -14.992 1.484 6.162) 16.276 6.755 ( 4.509 -3.374 -3.870) 6.833 7.054 ( 2.652 0.991 0.297) 2.847 7.804 ( -7.950 -21.988 -9.779) 25.344 8.145 ( 7.879 -17.947 19.030) 27.319 9.506 ( -11.016 9.513 -0.659) 14.570 9.554 ( -10.247 1.101 14.497) 17.787 9.728 ( -10.116 6.983 5.276) 13.376 10.268 ( 0.895 3.458 -1.107) 3.739 10.654 ( 8.893 -2.698 4.970) 10.539 10.966 ( -4.867 3.009 -6.370) 8.563 11.518 ( 15.007 -3.033 -16.014) 22.156 11.966 ( 21.617 2.403 7.969) 23.164 13.233 ( -6.160 11.542 -2.027) 13.239 13.516 ( -6.855 -7.570 10.315) 14.515 13.605 ( -0.178 5.779 -4.633) 7.409 14.046 ( 11.699 2.837 -6.979) 13.915 17.854 ( -13.016 1.866 -11.315) 17.347 18.447 ( 12.942 1.923 7.617) 15.140 19.257 ( -8.823 -1.748 0.190) 8.996 19.835 ( -0.769 -0.466 1.852) 2.059 21.216 ( -17.571 -9.304 -13.537) 24.053 22.589 ( 27.351 2.476 9.920) 29.199 23.341 ( -8.601 4.245 -1.594) 9.723 23.898 ( 9.052 1.521 2.636) 9.550 ======================= Grid point 675 (339/432) ======================= q-point: ( 0.36 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -4.194 -0.000 10.031) 10.873 2.854 ( 6.533 0.000 -2.334) 6.937 3.113 ( -3.363 -0.000 -1.705) 3.771 3.161 ( -1.036 -0.000 14.066) 14.104 3.354 ( -6.832 -0.000 0.021) 6.832 3.964 ( -6.781 -0.000 7.317) 9.976 4.364 ( 3.012 0.000 -1.477) 3.354 4.476 ( -4.151 -0.000 3.768) 5.606 5.169 ( 5.635 0.000 12.659) 13.857 5.655 ( 5.196 0.000 6.127) 8.034 6.068 ( -5.937 -0.000 19.246) 20.141 6.268 ( -1.215 -0.000 -6.373) 6.488 6.368 ( -12.492 -0.000 1.702) 12.607 6.398 ( -1.838 -0.000 8.244) 8.446 7.427 ( 2.780 0.000 -6.897) 7.436 7.678 ( -11.837 -0.000 -9.717) 15.314 8.963 ( 3.712 0.000 3.708) 5.246 9.446 ( -8.725 -0.000 18.447) 20.406 9.852 ( -22.518 -0.000 19.382) 29.711 10.020 ( 11.000 0.000 4.423) 11.856 11.533 ( 14.137 0.000 -24.691) 28.452 11.548 ( 2.993 0.000 -16.386) 16.658 12.165 ( 18.091 0.000 -3.604) 18.446 12.563 ( -9.950 -0.000 0.516) 9.963 12.846 ( 8.571 0.000 3.453) 9.241 13.198 ( -8.107 -0.000 4.285) 9.170 13.809 ( 5.959 0.000 -8.879) 10.693 14.338 ( -4.921 -0.000 7.271) 8.780 17.599 ( -0.463 -0.000 20.966) 20.971 18.144 ( 3.588 0.000 -25.504) 25.755 19.903 ( 0.435 0.000 -10.060) 10.069 19.913 ( -4.936 -0.000 2.021) 5.334 20.468 ( 22.595 0.000 -1.191) 22.627 22.228 ( -10.046 -0.000 5.237) 11.329 24.200 ( -2.846 -0.000 -4.693) 5.488 24.406 ( -9.498 -0.000 2.173) 9.743 ======================= Grid point 677 (340/432) ======================= q-point: (-0.55 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -10.528 2.949 8.282) 13.716 2.907 ( 2.936 7.372 3.561) 8.698 3.062 ( -2.280 -3.737 -1.279) 4.561 3.179 ( -7.233 -7.272 -0.785) 10.287 3.381 ( 0.359 -1.061 4.591) 4.725 4.059 ( 4.076 1.889 11.146) 12.017 4.359 ( -1.288 7.569 -3.930) 8.625 4.506 ( 4.138 -8.395 2.428) 9.669 5.378 ( 4.380 -0.947 11.660) 12.492 5.766 ( -0.409 -3.005 5.387) 6.182 6.228 ( -4.160 1.358 20.502) 20.964 6.248 ( 2.516 -1.352 0.992) 3.023 6.310 ( -4.350 -2.075 6.144) 7.809 6.493 ( 0.690 -0.965 8.006) 8.093 7.363 ( -0.406 4.071 -7.708) 8.727 7.481 ( -6.275 -9.000 -7.294) 13.175 9.114 ( 6.478 -3.003 8.433) 11.050 9.521 ( -11.031 1.343 17.930) 21.094 9.780 ( -24.407 0.058 21.315) 32.404 10.197 ( 11.344 2.324 2.916) 11.941 11.334 ( 2.858 9.242 -18.752) 21.100 11.435 ( 13.608 0.040 -23.120) 26.827 12.272 ( 11.540 7.775 -7.606) 15.858 12.405 ( -12.989 -0.868 -2.946) 13.348 13.027 ( 9.207 1.046 4.975) 10.518 13.186 ( -2.387 -6.287 4.324) 7.995 13.799 ( 4.385 -1.459 -5.846) 7.452 14.294 ( -11.513 0.954 4.404) 12.364 17.857 ( 4.049 1.179 12.833) 13.508 17.973 ( 5.944 -6.995 -11.622) 14.810 19.661 ( -8.123 7.459 -10.497) 15.225 19.868 ( -6.755 -5.981 -3.299) 9.607 20.847 ( 34.282 0.565 -1.165) 34.306 22.163 ( -11.319 -2.456 4.449) 12.407 24.056 ( -4.779 6.072 -4.967) 9.186 24.281 ( -12.689 -3.341 -2.238) 13.311 ======================= Grid point 678 (341/432) ======================= q-point: (-0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -7.108 3.233 8.267) 11.372 2.907 ( -2.199 6.171 7.082) 9.648 3.019 ( -4.855 -2.815 -1.683) 5.859 3.217 ( 2.975 -7.496 -2.256) 8.374 3.403 ( -0.605 -1.172 -0.677) 1.483 4.164 ( -10.164 5.007 -3.171) 11.766 4.252 ( 9.662 2.398 6.594) 11.941 4.693 ( 9.886 -4.716 1.230) 11.022 5.564 ( 3.135 -1.181 10.321) 10.851 5.842 ( -2.671 -6.789 5.313) 9.025 6.344 ( 2.443 -1.104 4.645) 5.364 6.366 ( 1.379 -2.616 7.429) 7.996 6.463 ( 1.640 -2.663 18.773) 19.031 6.603 ( -0.207 -1.024 8.725) 8.787 7.187 ( -8.001 1.490 -6.447) 10.383 7.467 ( 0.997 -10.541 -6.558) 12.454 9.358 ( 7.669 -4.283 11.485) 14.459 9.552 ( -11.974 1.977 15.786) 19.912 9.716 ( -25.389 -0.238 24.274) 35.127 10.342 ( 11.693 6.077 2.145) 13.351 11.070 ( 1.478 9.816 -16.838) 19.546 11.362 ( 13.544 -0.281 -20.381) 24.473 12.145 ( -0.476 13.644 -12.443) 18.472 12.184 ( -7.653 3.416 -7.047) 10.950 13.119 ( -3.022 -1.811 6.843) 7.697 13.380 ( 13.281 -9.129 0.731) 16.132 13.808 ( 4.038 1.092 -2.312) 4.780 14.133 ( -16.217 2.494 2.055) 16.536 17.888 ( 10.956 -0.681 -8.185) 13.693 18.222 ( 2.643 -7.986 16.006) 18.082 19.385 ( -6.551 3.097 -11.114) 13.268 19.771 ( -6.512 -4.197 -5.641) 9.584 21.278 ( 36.015 3.770 -1.061) 36.227 22.056 ( -15.293 -5.049 1.172) 16.147 23.895 ( -4.244 4.736 -4.139) 7.587 24.085 ( -13.089 0.342 -4.172) 13.742 ======================= Grid point 679 (342/432) ======================= q-point: (-0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -0.469 2.952 8.841) 9.332 2.908 ( -4.155 1.088 6.171) 7.519 3.008 ( 2.522 -1.113 -0.213) 2.765 3.217 ( -2.869 -2.080 -5.055) 6.173 3.429 ( 3.489 -0.742 0.097) 3.568 3.950 ( -7.194 1.140 -7.615) 10.538 4.424 ( 5.552 1.779 7.532) 9.525 4.830 ( 9.178 0.470 -2.563) 9.540 5.712 ( 0.720 -0.802 9.689) 9.749 5.929 ( -3.568 -8.635 4.282) 10.278 6.391 ( -1.672 2.503 3.706) 4.774 6.509 ( 5.460 -5.729 2.077) 8.182 6.668 ( -4.495 -0.055 9.078) 10.130 6.784 ( 3.538 -8.360 14.614) 17.204 7.039 ( -5.353 -2.510 1.865) 6.199 7.503 ( 2.451 -11.202 -7.683) 13.802 9.522 ( -13.541 2.371 13.914) 19.560 9.631 ( 6.769 -4.152 9.640) 12.490 9.702 ( -22.590 -0.824 26.953) 35.178 10.436 ( 8.721 9.719 2.016) 13.213 10.835 ( -1.330 6.466 -13.034) 14.611 11.317 ( 12.509 0.304 -17.088) 21.179 11.849 ( -6.883 10.200 -9.589) 15.601 11.972 ( 3.284 11.910 -12.593) 17.642 13.176 ( -5.082 -6.155 6.735) 10.444 13.604 ( 8.527 -10.337 -4.258) 14.060 13.850 ( 9.533 8.256 2.772) 12.912 13.898 ( -16.683 3.126 -0.193) 16.975 18.011 ( 12.924 -0.522 0.562) 12.947 18.392 ( -5.280 -2.462 4.923) 7.627 19.245 ( -0.306 -5.468 -5.110) 7.490 19.660 ( -1.734 -2.266 -7.450) 7.978 21.628 ( 12.604 5.807 2.635) 14.126 21.923 ( 0.896 -6.987 -5.658) 9.035 23.774 ( -6.115 2.290 -1.851) 6.787 23.877 ( -6.748 4.128 -3.249) 8.552 ======================= Grid point 680 (343/432) ======================= q-point: (-0.27 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 1.031 1.777 9.036) 9.267 2.958 ( 2.779 -0.600 4.882) 5.649 3.058 ( 4.464 1.956 -1.479) 5.093 3.129 ( -3.144 -3.773 -3.857) 6.245 3.447 ( -0.175 2.873 -0.090) 2.879 3.812 ( -1.963 -2.340 -6.696) 7.360 4.515 ( 0.950 3.142 3.344) 4.686 4.876 ( 8.617 4.355 -4.511) 10.657 5.815 ( -3.101 -0.615 9.154) 9.685 5.961 ( -7.246 -6.671 1.726) 9.999 6.341 ( -4.996 2.728 -0.725) 5.738 6.620 ( -11.376 0.852 5.564) 12.692 6.635 ( 4.187 -3.149 -1.065) 5.346 6.902 ( -4.365 -8.904 4.664) 10.958 7.336 ( 13.005 -14.153 16.397) 25.265 7.527 ( 1.582 -11.009 -8.972) 14.289 9.483 ( -12.525 0.679 12.687) 17.841 9.715 ( -16.175 -0.202 17.863) 24.099 9.850 ( 0.027 -0.621 14.038) 14.052 10.435 ( -0.072 8.347 -0.534) 8.365 10.612 ( -3.680 4.123 -9.780) 11.234 11.278 ( 8.934 5.007 -11.949) 15.737 11.602 ( -2.271 6.521 -9.736) 11.936 11.868 ( 16.262 11.755 -7.035) 21.263 13.248 ( -7.000 -9.836 7.635) 14.284 13.611 ( -9.582 6.350 1.334) 11.572 13.689 ( -4.662 -7.731 -8.702) 12.539 14.007 ( 17.543 9.442 3.108) 20.164 18.170 ( -2.189 2.547 -0.369) 3.379 18.287 ( 2.865 0.581 -2.349) 3.750 19.278 ( -3.151 -4.712 1.164) 5.787 19.655 ( 9.213 -5.035 -5.016) 11.636 21.437 ( -25.617 -3.929 -4.515) 26.307 22.204 ( 32.295 1.063 -1.609) 32.352 23.615 ( -10.358 5.370 0.404) 11.675 23.825 ( 3.482 1.585 0.262) 3.835 ======================= Grid point 681 (344/432) ======================= q-point: (-0.18 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -4.078 -1.667 10.033) 10.958 3.011 ( 4.719 4.104 -7.269) 9.589 3.099 ( 8.360 -0.256 4.021) 9.280 3.146 ( -2.057 -4.017 2.028) 4.947 3.403 ( -0.604 0.541 -1.851) 2.021 3.761 ( 1.962 1.139 -4.486) 5.027 4.466 ( -1.212 7.131 -2.742) 7.736 4.907 ( 7.550 3.870 -2.374) 8.810 5.807 ( -12.241 0.522 3.937) 12.869 5.907 ( -7.871 -2.609 0.914) 8.342 6.229 ( -7.855 0.585 -0.360) 7.885 6.476 ( -16.261 1.296 5.765) 17.302 6.707 ( 5.622 -2.568 -3.796) 7.253 6.997 ( -1.188 -9.048 3.838) 9.900 7.509 ( 0.548 -10.754 -10.723) 15.196 7.835 ( 13.149 -18.173 13.636) 26.250 9.496 ( -8.329 -2.560 11.963) 14.800 9.654 ( -14.537 3.813 7.516) 16.804 9.890 ( -13.664 10.285 11.672) 20.706 10.323 ( 0.186 3.928 -2.822) 4.840 10.520 ( -2.853 -9.961 -5.314) 11.644 11.155 ( 0.443 15.734 -0.797) 15.761 11.511 ( 14.956 2.158 -15.638) 21.746 12.030 ( 21.086 5.167 3.163) 21.939 13.304 ( -11.533 -8.832 5.055) 15.381 13.450 ( -5.287 6.272 4.453) 9.334 13.619 ( -2.441 -4.328 -7.051) 8.626 14.169 ( 16.960 10.578 -0.496) 19.994 17.887 ( -13.957 1.948 -12.333) 18.727 18.481 ( 11.977 2.009 8.434) 14.786 19.247 ( -3.042 0.795 -0.501) 3.183 19.799 ( 6.241 -3.999 0.720) 7.447 21.068 ( -22.676 -7.827 -10.628) 26.238 22.603 ( 29.155 -0.791 1.296) 29.194 23.447 ( -8.984 8.131 1.689) 12.234 23.916 ( 6.996 0.352 4.463) 8.306 ======================= Grid point 682 (345/432) ======================= q-point: (-0.09 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -9.957 -4.475 10.060) 14.844 2.932 ( 1.145 6.470 -6.869) 9.505 3.145 ( -2.771 -2.670 -1.840) 4.265 3.261 ( 9.011 0.209 3.110) 9.535 3.419 ( 2.392 -2.841 1.645) 4.062 3.726 ( 4.418 6.179 -3.168) 8.230 4.357 ( 2.863 7.509 -5.097) 9.516 4.935 ( 3.943 3.580 -1.265) 5.474 5.608 ( -17.402 2.021 -0.373) 17.523 5.802 ( -11.440 1.319 0.569) 11.530 6.119 ( -10.262 -1.500 -0.072) 10.372 6.340 ( -14.221 -0.251 7.194) 15.939 6.738 ( 3.421 -2.654 -4.692) 6.384 7.086 ( 1.153 -3.429 1.653) 3.977 7.485 ( 1.173 -12.217 -11.197) 16.614 8.253 ( 7.233 -17.433 8.251) 20.598 9.427 ( -16.939 12.496 2.008) 21.145 9.580 ( -6.235 -5.706 12.461) 15.057 9.717 ( -10.652 8.821 5.389) 14.843 10.194 ( -11.919 2.384 -5.166) 13.207 10.603 ( 5.323 -13.689 -1.771) 14.794 11.130 ( 6.552 10.332 9.263) 15.345 11.536 ( 18.976 -0.674 -18.400) 26.440 12.343 ( 20.044 1.091 6.669) 21.153 13.205 ( -5.090 3.995 -1.175) 6.576 13.487 ( -7.026 -4.814 10.795) 13.750 13.528 ( -3.165 -0.142 -5.285) 6.161 14.245 ( 14.339 13.476 -4.197) 20.120 17.578 ( -12.901 -0.211 -8.163) 15.268 18.721 ( 10.515 0.241 9.480) 14.159 19.195 ( 0.530 4.004 -1.939) 4.481 19.811 ( -9.642 3.031 3.170) 10.593 20.805 ( -6.979 -11.177 -13.644) 18.968 22.998 ( 23.695 -6.676 2.101) 24.707 23.272 ( -9.231 10.911 1.818) 14.408 24.090 ( 9.325 1.755 8.262) 12.582 ======================= Grid point 688 (346/432) ======================= q-point: ( 0.45 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -6.903 -0.000 7.234) 9.999 2.978 ( -5.781 -0.000 0.359) 5.793 2.991 ( -1.878 -0.000 -0.776) 2.032 3.137 ( 5.928 0.000 3.559) 6.915 3.393 ( -1.356 -0.000 -0.151) 1.364 4.206 ( -17.062 -0.000 2.429) 17.234 4.276 ( 11.391 0.000 1.280) 11.462 4.648 ( 14.211 0.000 1.534) 14.293 5.551 ( 2.879 0.000 10.654) 11.037 5.778 ( -3.926 -0.000 5.623) 6.858 6.312 ( 3.303 0.000 4.512) 5.591 6.360 ( 0.459 0.000 7.494) 7.508 6.453 ( 0.479 0.000 19.541) 19.547 6.594 ( -0.137 -0.000 8.708) 8.709 7.204 ( -11.242 -0.000 -6.237) 12.857 7.374 ( 6.619 0.000 -8.448) 10.732 9.322 ( 8.770 0.000 11.552) 14.504 9.569 ( -13.402 -0.000 16.925) 21.589 9.713 ( -26.130 -0.000 24.676) 35.940 10.389 ( 12.975 0.000 1.423) 13.052 11.161 ( 0.804 0.000 -20.907) 20.923 11.360 ( 13.528 0.000 -20.520) 24.578 12.189 ( -12.567 -0.000 -4.532) 13.360 12.295 ( 4.175 0.000 -12.084) 12.785 13.128 ( -6.159 -0.000 4.998) 7.931 13.257 ( 15.920 0.000 -0.583) 15.931 13.823 ( 5.636 0.000 0.117) 5.637 14.157 ( -17.152 -0.000 3.831) 17.574 17.884 ( 10.993 0.000 -9.464) 14.506 18.152 ( 3.973 0.000 19.164) 19.572 19.417 ( -10.870 -0.000 -12.527) 16.585 19.729 ( -4.195 -0.000 -4.915) 6.462 21.309 ( 38.375 0.000 -2.228) 38.440 22.015 ( -15.661 -0.000 1.155) 15.704 23.938 ( -7.477 -0.000 -4.463) 8.707 24.084 ( -10.682 -0.000 -3.317) 11.185 ======================= Grid point 690 (347/432) ======================= q-point: (-0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 1.637 1.957 7.340) 7.771 2.910 ( -4.379 -0.424 1.079) 4.530 2.988 ( 1.386 -0.868 0.784) 1.814 3.205 ( -1.287 0.082 -2.495) 2.809 3.423 ( 5.915 -0.094 3.237) 6.744 3.956 ( -15.165 -0.106 -5.666) 16.190 4.445 ( 6.488 0.654 5.676) 8.645 4.829 ( 12.566 -0.222 -1.956) 12.719 5.692 ( 0.769 -0.992 8.918) 9.005 5.811 ( -3.809 -4.253 5.233) 7.745 6.416 ( 0.827 0.233 3.929) 4.022 6.432 ( 1.612 -2.294 4.505) 5.306 6.670 ( -3.660 0.274 9.480) 10.165 6.702 ( 3.250 -2.140 13.908) 14.442 7.016 ( -9.134 -0.555 -0.256) 9.155 7.387 ( 9.043 -3.187 -9.829) 13.731 9.550 ( -14.804 0.990 13.809) 20.269 9.584 ( 7.960 -1.547 11.665) 14.207 9.691 ( -25.176 -0.399 29.227) 38.577 10.548 ( 10.998 3.378 -0.402) 11.512 10.903 ( -3.425 1.976 -18.369) 18.789 11.321 ( 14.151 0.079 -17.078) 22.179 11.975 ( -9.162 4.607 -5.144) 11.473 12.148 ( 4.211 6.297 -14.760) 16.590 13.107 ( -6.490 -1.647 4.935) 8.318 13.426 ( 9.228 -7.636 -5.561) 13.206 13.949 ( -4.448 2.772 4.079) 6.642 13.953 ( -3.235 2.396 4.180) 5.803 18.005 ( 13.535 -0.180 1.719) 13.645 18.361 ( -1.920 -1.040 9.271) 9.524 19.183 ( -4.426 -1.850 -7.438) 8.851 19.630 ( -0.315 -1.022 -7.789) 7.862 21.723 ( 4.768 5.483 -1.722) 7.467 21.818 ( 11.449 -5.696 -4.305) 13.492 23.800 ( -7.397 0.799 -1.352) 7.562 23.924 ( -7.141 1.444 -2.834) 7.817 ======================= Grid point 691 (348/432) ======================= q-point: (-0.36 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 2.622 4.296 6.649) 8.339 2.928 ( 1.888 -3.277 3.785) 5.351 3.049 ( 2.393 -1.569 2.668) 3.912 3.117 ( 1.484 1.035 -8.419) 8.611 3.518 ( -0.077 5.288 3.782) 6.502 3.744 ( -8.025 -5.261 -3.991) 10.393 4.551 ( 3.282 1.307 2.697) 4.445 4.923 ( 9.671 1.447 -5.607) 11.272 5.791 ( -2.140 -1.967 7.453) 7.999 5.845 ( -6.095 -6.138 3.261) 9.244 6.382 ( -5.184 1.938 -1.067) 5.637 6.554 ( 5.257 -4.794 1.091) 7.197 6.655 ( -12.174 2.301 6.105) 13.812 6.772 ( -7.975 -5.630 4.533) 10.763 7.161 ( 11.827 -6.792 12.658) 18.608 7.422 ( 9.751 -2.865 -10.311) 14.478 9.489 ( -15.875 0.151 13.179) 20.634 9.710 ( -21.810 -0.222 25.740) 33.738 9.836 ( 6.246 -0.715 12.604) 14.085 10.547 ( -1.576 5.291 -6.031) 8.177 10.645 ( -6.078 -0.026 -12.909) 14.268 11.338 ( 17.025 2.150 -13.913) 22.091 11.768 ( -3.771 11.253 -3.592) 12.400 12.038 ( 11.603 7.277 -9.841) 16.865 13.102 ( -8.735 -6.609 5.587) 12.296 13.496 ( 2.323 -9.762 -7.224) 12.364 13.731 ( -16.118 4.250 3.635) 17.060 14.151 ( 16.028 6.474 4.674) 17.907 18.216 ( 0.966 2.795 2.076) 3.613 18.286 ( -0.215 -0.746 -1.775) 1.937 19.209 ( 3.738 -3.203 4.029) 6.361 19.584 ( 6.965 -3.156 -8.514) 11.443 21.393 ( -26.473 -1.512 -6.792) 27.372 22.212 ( 34.306 0.081 -4.092) 34.550 23.696 ( -7.431 4.009 2.662) 8.853 23.840 ( -1.088 0.152 0.117) 1.104 ======================= Grid point 692 (349/432) ======================= q-point: (-0.27 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -6.916 0.392 7.942) 10.539 3.055 ( 6.870 -0.329 -3.345) 7.648 3.091 ( 3.687 -0.323 -2.271) 4.343 3.112 ( 5.715 0.207 3.562) 6.737 3.420 ( -4.881 1.552 -2.066) 5.523 3.757 ( 2.090 -1.050 2.094) 3.140 4.559 ( 0.862 3.944 -2.278) 4.635 4.944 ( 6.396 1.075 -6.162) 8.946 5.796 ( -9.439 -2.313 1.249) 9.799 5.849 ( -5.835 -3.753 4.733) 8.398 6.252 ( -8.523 1.861 -1.709) 8.890 6.505 ( -15.861 2.304 4.835) 16.741 6.659 ( 6.272 -3.815 -3.037) 7.945 6.801 ( -6.109 -10.823 4.616) 13.258 7.436 ( 8.370 -0.347 -10.307) 13.282 7.566 ( 15.977 -13.188 9.438) 22.766 9.456 ( -12.896 -2.031 12.456) 18.044 9.691 ( -19.406 1.155 17.281) 26.011 10.016 ( -2.596 4.680 13.286) 14.323 10.343 ( -13.970 -5.091 -7.167) 16.506 10.446 ( 0.219 4.508 -9.774) 10.766 11.369 ( 14.160 7.266 -10.477) 19.054 11.622 ( 3.439 12.023 -4.129) 13.169 12.126 ( 18.774 5.508 -0.487) 19.572 13.120 ( -10.756 -10.644 6.768) 16.577 13.499 ( -1.349 -7.907 -5.880) 9.945 13.567 ( -8.537 5.239 3.470) 10.600 14.341 ( 16.493 8.875 2.011) 18.837 17.916 ( -14.973 1.384 -13.724) 20.358 18.511 ( 11.205 1.483 9.387) 14.693 19.288 ( 3.578 4.060 1.093) 5.521 19.704 ( 11.334 -7.135 -1.488) 13.475 20.965 ( -26.826 -4.445 -10.004) 28.974 22.574 ( 28.375 -2.215 -5.369) 28.963 23.597 ( -5.989 9.319 5.009) 12.158 23.904 ( 4.319 -1.902 5.713) 7.410 ======================= Grid point 693 (350/432) ======================= q-point: (-0.18 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -10.365 -3.394 8.318) 13.716 2.999 ( -9.344 -1.475 -2.860) 9.883 3.113 ( 5.725 1.073 -0.948) 5.901 3.288 ( 11.824 2.318 2.412) 12.288 3.386 ( 2.086 -0.251 -0.296) 2.122 3.809 ( 4.584 3.654 1.298) 6.004 4.476 ( 2.508 6.305 -6.757) 9.576 4.937 ( 0.754 -2.012 -4.098) 4.627 5.656 ( -10.746 2.267 -1.772) 11.125 5.811 ( -10.111 -0.630 2.754) 10.498 6.112 ( -9.895 0.784 -0.528) 9.940 6.343 ( -15.010 0.932 5.728) 16.093 6.697 ( 3.171 -2.337 -5.156) 6.488 6.910 ( -0.584 -14.980 2.560) 15.208 7.411 ( 7.322 1.763 -10.118) 12.613 7.968 ( 13.195 -16.101 4.187) 21.234 9.459 ( -14.224 -5.820 9.565) 18.102 9.592 ( -12.261 4.630 8.698) 15.730 9.919 ( -13.895 13.859 7.475) 21.001 10.129 ( -17.406 -7.256 -3.137) 19.117 10.465 ( 9.576 -3.562 -1.335) 10.304 11.350 ( 6.213 12.492 0.302) 13.955 11.560 ( 12.359 5.125 -12.623) 18.394 12.378 ( 19.853 2.765 4.215) 20.483 13.146 ( -9.351 -9.003 5.367) 14.046 13.465 ( -3.280 -1.427 -0.086) 3.578 13.508 ( -2.542 0.335 1.366) 2.905 14.463 ( 14.947 11.681 -1.672) 19.043 17.574 ( -13.890 -0.245 -10.358) 17.329 18.726 ( 9.417 0.342 5.910) 11.124 19.297 ( 6.582 8.060 -1.058) 10.460 19.836 ( -2.270 -0.516 2.895) 3.715 20.618 ( -13.667 -10.653 -10.913) 20.478 22.863 ( 20.784 -7.919 -7.059) 23.335 23.494 ( -5.137 13.954 6.298) 16.148 24.099 ( 8.799 -0.743 10.551) 13.759 ======================= Grid point 694 (351/432) ======================= q-point: (-0.09 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -11.372 -4.315 5.163) 13.213 2.819 ( -15.420 -1.684 -1.883) 15.626 3.156 ( 5.116 5.191 -0.092) 7.289 3.374 ( 4.183 1.383 0.812) 4.480 3.484 ( 4.671 -1.904 4.625) 6.843 3.846 ( 7.624 7.891 -0.646) 10.991 4.402 ( 6.911 4.798 -7.346) 11.169 4.895 ( -6.379 -4.290 -1.677) 7.868 5.465 ( -8.782 7.979 -1.432) 11.951 5.668 ( -12.465 2.705 0.420) 12.762 5.958 ( -10.507 -0.186 -1.682) 10.643 6.258 ( -11.435 -1.463 8.731) 14.461 6.671 ( -0.355 -3.388 -6.541) 7.375 7.063 ( 2.209 -9.879 1.835) 10.288 7.388 ( 9.055 -0.193 -9.728) 13.292 8.232 ( 4.057 -14.451 -1.092) 15.049 9.301 ( -19.560 5.174 4.342) 20.693 9.605 ( -5.542 -2.776 11.379) 12.958 9.733 ( -8.370 9.820 5.512) 14.031 9.956 ( -12.925 -5.737 -1.978) 14.278 10.600 ( 5.426 -4.302 0.299) 6.931 11.375 ( 3.908 6.647 7.673) 10.878 11.552 ( 16.860 -0.561 -18.703) 25.187 12.631 ( 14.092 1.670 2.088) 14.343 13.143 ( -4.761 -3.274 1.125) 5.886 13.430 ( -3.726 -1.931 -1.590) 4.488 13.531 ( -0.527 0.269 7.937) 7.959 14.491 ( 12.661 14.957 -5.113) 20.252 17.358 ( -10.514 -1.869 -0.347) 10.684 18.876 ( 7.953 -3.193 -2.854) 9.033 19.309 ( 7.321 10.060 1.249) 12.505 19.701 ( -15.346 3.688 2.081) 15.920 20.565 ( 2.868 -11.411 -6.808) 13.594 23.061 ( 9.241 -9.349 -8.880) 15.863 23.398 ( -0.925 12.910 7.332) 14.876 24.357 ( 10.096 1.961 12.434) 16.136 ======================= Grid point 701 (352/432) ======================= q-point: (-0.45 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 10.291 0.000 5.177) 11.520 2.869 ( -5.696 -0.000 3.143) 6.505 3.037 ( 2.495 0.000 3.979) 4.697 3.127 ( 2.497 0.000 -9.079) 9.416 3.588 ( 6.410 0.000 7.811) 10.105 3.674 ( -16.523 -0.000 -5.678) 17.471 4.562 ( 3.879 0.000 2.510) 4.621 4.933 ( 9.997 0.000 -5.873) 11.595 5.770 ( -1.850 -0.000 6.587) 6.842 5.789 ( -5.477 -0.000 3.986) 6.774 6.400 ( -5.091 -0.000 -1.154) 5.220 6.507 ( 3.722 0.000 2.455) 4.459 6.697 ( -6.436 -0.000 7.434) 9.833 6.708 ( -12.594 -0.000 2.595) 12.859 7.105 ( 10.685 0.000 10.896) 15.261 7.402 ( 12.387 0.000 -10.324) 16.125 9.490 ( -17.083 -0.000 13.459) 21.748 9.708 ( -24.286 -0.000 28.830) 37.696 9.830 ( 8.789 0.000 11.536) 14.503 10.609 ( -11.062 -0.000 -16.341) 19.733 10.626 ( 2.663 0.000 -5.233) 5.872 11.355 ( 18.940 0.000 -14.821) 24.050 11.886 ( -2.906 -0.000 -1.413) 3.231 12.093 ( 8.717 0.000 -10.596) 13.721 13.047 ( -9.072 -0.000 4.106) 9.958 13.402 ( 3.217 0.000 -6.099) 6.895 13.767 ( -16.947 -0.000 4.637) 17.570 14.207 ( 15.549 0.000 4.986) 16.329 18.252 ( 13.359 0.000 9.365) 16.314 18.268 ( -12.674 -0.000 -8.064) 15.022 19.181 ( 6.733 0.000 5.560) 8.732 19.557 ( 5.675 0.000 -10.059) 11.549 21.381 ( -26.504 -0.000 -7.798) 27.627 22.212 ( 34.822 0.000 -5.103) 35.194 23.734 ( -4.889 -0.000 4.219) 6.458 23.838 ( -4.103 -0.000 -0.561) 4.141 ======================= Grid point 702 (353/432) ======================= q-point: (-0.36 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -10.096 0.996 5.885) 11.729 3.032 ( 10.246 -1.073 1.822) 10.462 3.091 ( -2.269 -0.062 1.002) 2.481 3.112 ( 10.852 -0.290 -6.721) 12.768 3.447 ( -6.311 1.120 -1.841) 6.669 3.744 ( 2.992 -0.316 7.266) 7.864 4.601 ( 1.719 1.182 -1.383) 2.503 4.952 ( 6.036 0.086 -8.536) 10.455 5.748 ( -7.480 -2.171 1.502) 7.933 5.800 ( -4.742 -1.803 4.840) 7.011 6.279 ( -8.850 1.015 -1.946) 9.118 6.546 ( -12.837 2.019 2.968) 13.330 6.581 ( 2.143 -3.769 -0.894) 4.427 6.698 ( -5.733 -2.420 4.307) 7.568 7.406 ( 15.766 -4.446 5.324) 17.224 7.451 ( 12.478 0.214 -8.364) 15.023 9.432 ( -15.704 -0.765 12.968) 20.380 9.702 ( -23.060 0.237 22.804) 32.432 10.062 ( 5.537 1.232 12.045) 13.314 10.271 ( -16.822 -2.366 -10.468) 19.954 10.523 ( -1.887 2.891 -9.021) 9.659 11.426 ( 20.058 1.136 -17.521) 26.657 11.830 ( -2.149 9.146 3.053) 9.878 12.181 ( 16.010 0.700 -1.730) 16.119 12.992 ( -9.630 -3.941 5.734) 11.881 13.379 ( 0.035 -4.748 -4.763) 6.725 13.630 ( -11.040 1.938 4.687) 12.149 14.444 ( 15.718 3.211 2.813) 16.288 17.932 ( -15.619 0.485 -14.718) 21.467 18.528 ( 10.850 0.546 10.038) 14.791 19.371 ( 9.103 4.826 6.600) 12.236 19.582 ( 12.335 -6.105 -6.915) 15.403 20.917 ( -28.673 -1.333 -10.388) 30.526 22.544 ( 27.452 -1.077 -8.561) 28.776 23.742 ( -2.059 7.695 6.807) 10.478 23.848 ( 1.086 -4.807 6.208) 7.927 ======================= Grid point 703 (354/432) ======================= q-point: (-0.27 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -11.290 -1.033 7.657) 13.680 2.927 ( -17.075 -4.837 -2.035) 17.863 3.149 ( 9.991 2.055 -3.876) 10.912 3.277 ( 12.952 -2.668 0.565) 13.236 3.452 ( 5.911 5.951 2.616) 8.787 3.850 ( 3.412 1.266 5.491) 6.587 4.557 ( 1.603 3.299 -5.891) 6.940 4.902 ( 0.104 -1.636 -7.782) 7.953 5.666 ( -6.532 -0.702 -1.770) 6.804 5.783 ( -8.240 -2.202 3.269) 9.135 6.137 ( -10.121 1.651 0.946) 10.298 6.373 ( -14.224 2.338 2.819) 14.688 6.655 ( 6.064 -4.117 -5.543) 9.190 6.694 ( -4.592 -7.639 3.177) 9.462 7.469 ( 10.211 3.936 -8.478) 13.843 7.736 ( 16.235 -10.969 0.758) 19.608 9.374 ( -16.009 -3.798 7.541) 18.099 9.636 ( -17.375 1.144 14.503) 22.661 9.988 ( -20.311 -4.136 1.586) 20.788 10.161 ( -10.461 8.919 9.274) 16.583 10.439 ( 11.074 -0.152 -6.941) 13.071 11.454 ( 17.603 1.857 -17.217) 24.693 11.737 ( -4.312 12.378 3.940) 13.687 12.415 ( 18.470 0.906 2.492) 18.659 13.005 ( -6.902 -5.828 7.419) 11.689 13.378 ( -0.771 -6.368 -2.648) 6.940 13.553 ( -5.865 2.640 4.222) 7.694 14.616 ( 14.644 6.312 -0.542) 15.956 17.570 ( -14.446 -0.137 -11.912) 18.725 18.732 ( 9.134 0.314 3.067) 9.640 19.457 ( 11.054 10.722 0.244) 15.402 19.782 ( 7.263 -6.092 2.655) 9.844 20.472 ( -22.911 -6.240 -10.063) 25.790 22.755 ( 19.266 -4.649 -10.503) 22.431 23.708 ( -2.723 10.863 6.640) 13.020 24.065 ( 8.527 -3.131 12.432) 15.397 ======================= Grid point 704 (355/432) ======================= q-point: (-0.18 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -16.485 -4.923 7.513) 18.773 2.740 ( -15.212 -5.786 -1.658) 16.360 3.203 ( 4.352 0.781 -0.479) 4.447 3.452 ( 7.571 -1.851 3.096) 8.386 3.487 ( 6.881 10.217 0.115) 12.318 3.950 ( 7.123 4.131 3.621) 8.995 4.480 ( 5.257 4.114 -8.647) 10.924 4.817 ( -6.348 -4.103 -3.332) 8.260 5.558 ( -3.449 2.824 -4.063) 6.031 5.690 ( -10.873 0.141 0.997) 10.919 5.992 ( -9.976 3.557 -0.473) 10.601 6.242 ( -12.267 -0.381 7.191) 14.225 6.620 ( -1.354 -2.526 -6.486) 7.091 6.845 ( 6.306 -13.272 1.138) 14.738 7.456 ( 9.539 6.367 -7.844) 13.895 7.999 ( 10.351 -13.087 -4.052) 17.170 9.248 ( -17.583 -7.833 2.422) 19.401 9.613 ( -9.161 1.586 12.849) 15.860 9.826 ( -20.878 -6.599 8.198) 23.381 9.960 ( -10.128 14.863 2.435) 18.150 10.571 ( 10.316 -0.997 -0.470) 10.375 11.474 ( 13.449 2.346 -10.494) 17.219 11.617 ( -1.733 9.403 -1.455) 9.672 12.655 ( 14.269 0.709 1.576) 14.373 13.051 ( -5.604 -5.388 5.348) 9.436 13.390 ( -0.630 -3.774 -2.228) 4.428 13.538 ( -1.952 0.581 5.051) 5.446 14.701 ( 13.220 9.793 -4.492) 17.055 17.331 ( -10.296 -1.292 -1.220) 10.449 18.830 ( 9.309 -2.201 -8.283) 12.654 19.506 ( 10.127 13.126 1.178) 16.620 19.753 ( -15.807 2.684 1.659) 16.119 20.351 ( 1.899 -14.023 -3.067) 14.480 22.902 ( 14.051 -8.177 -10.472) 19.337 23.639 ( -4.068 13.904 6.922) 16.056 24.363 ( 10.741 -1.082 12.921) 16.837 ======================= Grid point 705 (356/432) ======================= q-point: (-0.09 -0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -18.945 -3.297 -4.564) 19.764 2.606 ( -17.879 -8.330 7.861) 21.233 3.254 ( 2.067 0.485 2.883) 3.580 3.469 ( 5.492 8.842 -2.177) 10.634 3.587 ( 4.391 -1.598 4.956) 6.811 4.015 ( 4.639 9.691 2.114) 10.950 4.447 ( 7.771 2.504 -6.600) 10.499 4.745 ( -7.412 -3.399 1.103) 8.228 5.418 ( -4.200 5.988 -6.547) 9.816 5.553 ( -8.188 2.399 0.951) 8.585 5.839 ( -7.787 2.519 0.788) 8.222 6.222 ( -8.617 -1.580 10.247) 13.481 6.531 ( -2.707 -3.314 -8.282) 9.322 7.046 ( 4.937 -9.724 1.009) 10.952 7.451 ( 11.913 5.119 -7.825) 15.145 8.119 ( 1.056 -10.677 -4.104) 11.488 9.119 ( -18.723 -2.992 6.506) 20.046 9.642 ( -5.616 -0.976 9.405) 10.998 9.748 ( -14.667 -5.611 8.085) 17.663 9.788 ( -2.277 6.849 1.112) 7.303 10.657 ( 3.687 2.795 -0.092) 4.627 11.499 ( -3.913 4.213 2.654) 6.333 11.547 ( 17.293 -1.013 -15.361) 23.152 12.777 ( 5.325 1.453 -1.164) 5.642 13.061 ( -4.637 -4.103 1.255) 6.317 13.357 ( -2.683 -0.418 -2.610) 3.766 13.622 ( 2.528 -3.849 6.076) 7.623 14.696 ( 11.937 13.141 -7.823) 19.401 17.310 ( -4.123 -0.362 11.738) 12.447 18.804 ( 5.633 -4.774 -18.533) 19.950 19.507 ( 0.743 10.184 4.838) 11.299 19.602 ( -1.990 3.044 0.652) 3.695 20.497 ( 3.977 -9.823 0.138) 10.599 23.000 ( 7.941 -5.043 -9.008) 13.025 23.546 ( -3.313 11.298 5.680) 13.072 24.626 ( 7.749 0.431 10.292) 12.890 ======================= Grid point 713 (357/432) ======================= q-point: (-0.36 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -11.080 -0.000 7.186) 13.206 2.880 ( -20.156 -0.000 -2.051) 20.260 3.171 ( 10.364 0.000 -6.266) 12.111 3.246 ( 13.138 0.000 2.074) 13.301 3.511 ( 9.306 0.000 2.769) 9.709 3.858 ( 1.894 0.000 7.252) 7.495 4.585 ( 1.145 0.000 -5.182) 5.308 4.888 ( 0.241 0.000 -9.171) 9.174 5.655 ( -5.156 -0.000 -1.566) 5.389 5.760 ( -7.255 -0.000 3.358) 7.995 6.152 ( -10.476 -0.000 1.734) 10.619 6.399 ( -13.182 -0.000 0.417) 13.189 6.587 ( 3.731 0.000 -0.899) 3.838 6.659 ( -3.505 -0.000 -0.090) 3.506 7.514 ( 11.412 0.000 -7.184) 13.485 7.631 ( 17.054 0.000 -1.594) 17.129 9.341 ( -17.208 -0.000 6.656) 18.451 9.644 ( -19.276 -0.000 16.473) 25.356 9.950 ( -21.643 -0.000 2.367) 21.772 10.238 ( -5.482 -0.000 12.143) 13.323 10.444 ( 9.031 0.000 -10.064) 13.522 11.466 ( 19.004 0.000 -19.488) 27.220 11.858 ( -8.773 -0.000 5.809) 10.522 12.412 ( 17.399 0.000 2.326) 17.554 12.965 ( -3.529 -0.000 7.408) 8.206 13.311 ( -1.201 -0.000 -1.943) 2.285 13.576 ( -6.676 -0.000 4.153) 7.862 14.669 ( 14.461 0.000 -0.214) 14.462 17.569 ( -14.611 -0.000 -12.455) 19.199 18.734 ( 9.108 0.000 2.000) 9.325 19.637 ( 14.671 0.000 -5.960) 15.835 19.641 ( 9.936 0.000 9.352) 13.644 20.419 ( -27.470 -0.000 -10.006) 29.236 22.715 ( 18.810 0.000 -11.456) 22.023 23.816 ( -2.836 -0.000 5.248) 5.965 24.024 ( 9.362 0.000 14.450) 17.218 ======================= Grid point 714 (358/432) ======================= q-point: (-0.27 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -21.608 -3.575 0.473) 21.907 2.680 ( -13.231 -1.527 6.383) 14.769 3.209 ( 3.555 0.141 -2.400) 4.291 3.427 ( 9.476 -0.905 2.647) 9.880 3.637 ( 9.691 5.854 -0.523) 11.334 3.982 ( 5.598 0.291 6.872) 8.868 4.529 ( 3.595 1.568 -7.506) 8.469 4.771 ( -4.891 -1.296 -5.384) 7.389 5.575 ( -1.384 -0.020 -5.724) 5.889 5.687 ( -8.723 -0.221 1.599) 8.871 6.043 ( -9.648 1.761 1.612) 9.939 6.244 ( -12.639 0.306 4.422) 13.394 6.591 ( -2.826 -0.830 -5.015) 5.816 6.679 ( 7.582 -5.455 0.387) 9.348 7.563 ( 10.618 5.370 -5.321) 13.034 7.814 ( 13.942 -7.897 -7.747) 17.797 9.139 ( -17.744 -3.834 -1.532) 18.218 9.627 ( -13.693 0.210 17.784) 22.445 9.755 ( -23.457 -1.881 11.548) 26.213 10.159 ( -9.670 6.902 1.609) 11.989 10.556 ( 12.809 -0.594 -1.469) 12.906 11.493 ( 17.927 0.590 -16.473) 24.354 11.757 ( -11.930 4.924 5.456) 14.012 12.647 ( 13.404 -0.990 1.493) 13.524 13.015 ( -1.395 0.657 4.453) 4.713 13.308 ( -0.850 -4.379 0.160) 4.463 13.550 ( -3.457 0.526 3.201) 4.741 14.812 ( 13.496 3.335 -4.284) 14.547 17.316 ( -10.175 -0.445 -1.733) 10.331 18.804 ( 9.781 -0.783 -11.691) 15.263 19.705 ( 7.100 7.146 -0.165) 10.074 19.812 ( -5.721 6.285 4.550) 9.640 20.114 ( -3.911 -12.757 -2.833) 13.640 22.807 ( 14.709 -2.946 -11.327) 18.797 23.819 ( -4.115 6.349 7.529) 10.673 24.335 ( 11.669 -1.559 12.579) 17.228 ======================= Grid point 715 (359/432) ======================= q-point: (-0.18 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -20.343 -8.361 3.168) 22.221 2.523 ( -21.177 -2.253 1.894) 21.381 3.239 ( 1.296 -0.994 2.869) 3.301 3.563 ( 5.588 -0.985 2.418) 6.168 3.640 ( 6.259 9.154 -4.717) 12.051 4.134 ( 4.968 4.197 7.906) 10.237 4.497 ( 6.994 2.991 -6.835) 10.227 4.695 ( -3.476 -2.304 0.453) 4.195 5.460 ( -2.659 0.247 -10.999) 11.319 5.586 ( -6.486 1.435 0.270) 6.648 5.899 ( -8.785 3.537 0.758) 9.501 6.205 ( -8.427 -0.401 11.419) 14.198 6.491 ( -2.680 -1.495 -7.489) 8.093 6.867 ( 9.386 -9.477 0.405) 13.345 7.579 ( 11.377 9.161 -6.142) 15.846 7.940 ( 7.128 -10.663 -6.982) 14.603 8.984 ( -15.231 -9.444 2.992) 18.170 9.614 ( -13.103 -2.457 4.033) 13.928 9.678 ( -17.523 -0.706 23.513) 29.333 9.973 ( -6.786 10.658 -0.839) 12.663 10.687 ( 9.093 0.328 -1.624) 9.243 11.549 ( 16.508 1.334 -11.120) 19.949 11.609 ( -10.414 6.488 1.903) 12.417 12.780 ( 4.633 -0.530 -0.922) 4.754 13.003 ( -3.600 -1.988 -0.296) 4.123 13.331 ( -0.808 -3.121 -1.616) 3.606 13.564 ( -0.515 -2.271 3.333) 4.066 14.864 ( 12.761 6.825 -8.795) 16.934 17.306 ( -2.055 -0.114 13.335) 13.493 18.731 ( 6.694 -3.419 -22.239) 23.475 19.602 ( -11.140 1.457 3.646) 11.812 19.762 ( 7.581 15.132 1.282) 16.974 20.296 ( 5.177 -13.969 2.031) 15.035 22.900 ( 13.672 -5.087 -10.235) 17.820 23.765 ( -6.247 12.002 7.739) 15.587 24.606 ( 8.450 -2.286 7.981) 11.846 ======================= Grid point 716 (360/432) ======================= q-point: (-0.09 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -23.080 -3.336 -0.772) 23.333 2.362 ( -18.961 -12.716 8.766) 24.455 3.315 ( 2.544 -0.351 3.633) 4.449 3.563 ( 2.922 7.377 -4.053) 8.909 3.664 ( 5.219 -2.628 -0.491) 5.864 4.147 ( -6.567 11.126 6.839) 14.618 4.472 ( -0.710 4.321 -3.308) 5.488 4.755 ( 8.857 0.293 2.455) 9.195 5.264 ( -5.574 -0.993 -10.544) 11.968 5.529 ( -0.448 1.366 0.405) 1.494 5.827 ( -4.187 3.064 6.305) 8.165 6.257 ( -4.973 1.042 11.704) 12.759 6.391 ( -0.862 -1.274 -6.706) 6.880 7.032 ( 3.387 -7.400 -0.960) 8.194 7.560 ( 10.836 6.792 -11.071) 16.915 8.046 ( 2.756 -6.222 2.876) 7.388 8.939 ( -15.740 -7.847 10.229) 20.345 9.562 ( -3.825 -9.670 -1.565) 10.516 9.722 ( -15.719 3.179 20.621) 26.123 9.833 ( -0.490 5.180 -0.169) 5.206 10.720 ( 1.734 5.729 -2.455) 6.470 11.426 ( -6.483 2.544 -5.798) 9.061 11.636 ( 13.403 1.501 -6.054) 14.783 12.761 ( -4.349 -1.199 -1.803) 4.858 12.989 ( -1.341 -4.992 -1.817) 5.479 13.290 ( -3.125 0.466 -2.097) 3.792 13.650 ( 0.842 -7.197 3.343) 7.980 14.828 ( 11.626 9.659 -12.902) 19.873 17.531 ( 5.466 4.220 21.777) 22.846 18.565 ( 3.507 -6.158 -22.310) 23.408 19.592 ( 3.353 0.965 3.750) 5.122 19.715 ( 4.082 12.036 -2.473) 12.947 20.459 ( 0.317 -10.482 1.640) 10.614 22.994 ( 10.870 -1.805 -7.959) 13.593 23.642 ( -7.041 12.838 5.583) 15.670 24.756 ( 1.140 -3.284 2.580) 4.329 ======================= Grid point 725 (361/432) ======================= q-point: (-0.27 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -21.167 -0.000 3.870) 21.518 2.504 ( -22.221 -0.000 1.753) 22.290 3.231 ( 1.395 0.000 2.571) 2.925 3.554 ( 6.212 0.000 1.833) 6.477 3.726 ( 5.743 0.000 -6.556) 8.716 4.164 ( 5.841 0.000 10.198) 11.753 4.526 ( 6.306 0.000 -5.319) 8.250 4.675 ( -2.097 -0.000 -0.606) 2.183 5.458 ( -2.424 -0.000 -12.195) 12.434 5.598 ( -5.418 -0.000 -0.590) 5.450 5.931 ( -9.114 -0.000 0.414) 9.123 6.204 ( -8.203 -0.000 12.291) 14.777 6.479 ( -2.966 -0.000 -6.725) 7.350 6.780 ( 10.317 0.000 -0.148) 10.318 7.712 ( 11.379 0.000 1.334) 11.457 7.795 ( 9.936 0.000 -14.926) 17.931 8.895 ( -14.878 -0.000 0.842) 14.902 9.591 ( -20.202 -0.000 10.198) 22.630 9.677 ( -14.995 -0.000 22.554) 27.084 10.072 ( -6.865 -0.000 -2.778) 7.406 10.686 ( 10.205 0.000 -2.308) 10.463 11.568 ( 17.925 0.000 -11.260) 21.168 11.665 ( -13.897 -0.000 4.890) 14.732 12.778 ( 6.159 0.000 -0.403) 6.172 12.990 ( -4.164 -0.000 -4.939) 6.460 13.290 ( -1.377 -0.000 2.054) 2.473 13.548 ( -1.124 -0.000 1.644) 1.991 14.921 ( 13.080 0.000 -9.193) 15.987 17.305 ( -1.277 -0.000 13.980) 14.038 18.701 ( 6.882 0.000 -23.730) 24.707 19.612 ( -10.878 -0.000 2.870) 11.250 20.002 ( 4.316 0.000 4.231) 6.044 20.069 ( 7.993 0.000 0.381) 8.002 22.856 ( 14.635 0.000 -10.484) 18.003 23.877 ( -6.233 -0.000 9.207) 11.118 24.580 ( 8.903 0.000 6.270) 10.890 ======================= Grid point 726 (362/432) ======================= q-point: (-0.18 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -22.252 -1.349 4.473) 22.738 2.190 ( -24.453 -6.160 4.246) 25.571 3.311 ( 3.745 -0.073 4.449) 5.816 3.621 ( 1.628 -0.423 0.017) 1.682 3.671 ( 5.097 2.726 -10.141) 11.673 4.278 ( -8.812 4.050 12.199) 15.584 4.541 ( 2.838 2.928 -2.144) 4.608 4.750 ( 12.510 -0.525 1.001) 12.560 5.230 ( -6.601 -1.781 -14.361) 15.905 5.543 ( 0.137 0.400 -2.448) 2.484 5.870 ( -5.418 1.544 7.035) 9.013 6.283 ( -3.908 1.475 14.755) 15.335 6.379 ( -0.021 -0.334 -6.474) 6.482 6.913 ( 7.901 -4.837 -2.315) 9.549 7.680 ( 6.546 5.701 -14.734) 17.101 7.949 ( 11.143 -4.474 6.249) 13.536 8.790 ( -13.105 -6.536 7.638) 16.516 9.468 ( -12.943 -2.235 4.769) 13.974 9.750 ( -15.171 0.759 24.527) 28.850 9.934 ( -4.176 4.275 -4.370) 7.404 10.761 ( 7.970 0.287 -5.155) 9.496 11.494 ( -15.850 3.095 -0.112) 16.150 11.682 ( 16.313 2.780 -6.615) 17.821 12.766 ( -4.076 3.142 -2.927) 5.921 12.878 ( -3.594 -7.649 -5.249) 9.949 13.288 ( -2.673 -0.400 0.723) 2.798 13.566 ( 0.266 -2.422 1.052) 2.654 14.937 ( 12.275 3.271 -14.403) 19.205 17.585 ( 9.221 1.821 24.318) 26.071 18.485 ( 2.853 -2.788 -24.163) 24.490 19.595 ( 3.086 -0.052 2.530) 3.991 19.959 ( 1.594 15.316 -0.725) 15.416 20.247 ( 1.681 -14.016 1.281) 14.174 22.949 ( 15.698 -1.954 -9.129) 18.264 23.853 ( -8.557 8.703 8.913) 15.113 24.687 ( 1.043 -3.466 -1.619) 3.965 ======================= Grid point 727 (363/432) ======================= q-point: (-0.09 -0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -19.202 -4.654 8.564) 21.534 2.160 ( -14.647 -11.715 13.439) 23.073 3.401 ( 5.184 1.773 1.273) 5.625 3.574 ( -2.112 3.076 -2.533) 4.509 3.657 ( 6.936 -4.117 -8.538) 11.745 4.164 ( -18.926 7.866 10.133) 22.863 4.451 ( -3.975 9.653 -3.693) 11.073 4.839 ( 0.791 -4.588 -8.888) 10.034 5.213 ( 14.341 -0.021 4.626) 15.069 5.540 ( 2.872 -1.702 -2.013) 3.899 5.910 ( -3.297 2.465 11.612) 12.320 6.325 ( 4.023 2.576 -2.595) 5.436 6.425 ( 0.229 2.798 13.849) 14.131 6.984 ( 0.551 -4.749 -2.758) 5.519 7.519 ( 1.749 2.151 -15.998) 16.237 8.202 ( 8.618 3.243 11.722) 14.906 8.837 ( -10.754 -10.333 15.595) 21.578 9.413 ( -4.589 -7.820 -1.844) 9.253 9.782 ( -11.153 5.977 11.190) 16.891 9.877 ( -1.072 -0.547 8.607) 8.691 10.726 ( -2.041 7.885 -6.123) 10.190 11.237 ( -11.843 -2.763 -6.499) 13.789 11.771 ( 12.034 4.757 -5.182) 13.939 12.655 ( -7.102 -0.291 -0.608) 7.134 12.878 ( -1.589 -9.976 -2.048) 10.307 13.242 ( -3.889 1.215 -0.045) 4.074 13.618 ( -0.155 -6.317 0.987) 6.396 14.855 ( 10.417 5.906 -18.460) 22.004 17.962 ( 11.565 9.872 17.070) 22.860 18.349 ( 8.333 -8.304 -12.955) 17.499 19.726 ( 9.521 2.653 1.321) 9.972 19.795 ( 1.954 10.861 -6.809) 12.967 20.349 ( -4.471 -12.445 0.625) 13.239 23.068 ( 14.070 0.293 -6.695) 15.585 23.709 ( -10.354 14.875 5.402) 18.912 24.634 ( -9.178 -8.624 -6.531) 14.187 ======================= Grid point 737 (364/432) ======================= q-point: (-0.18 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -21.639 -0.000 8.492) 23.246 2.051 ( -14.510 -0.000 14.130) 20.253 3.420 ( 6.303 0.000 2.506) 6.783 3.593 ( -3.837 -0.000 -1.824) 4.249 3.627 ( 7.954 0.000 -12.748) 15.026 4.231 ( -21.176 -0.000 11.512) 24.103 4.562 ( -1.615 -0.000 1.357) 2.109 4.768 ( -1.821 -0.000 -16.358) 16.459 5.213 ( 18.665 0.000 6.313) 19.704 5.524 ( 2.068 0.000 -4.151) 4.638 5.932 ( -4.365 -0.000 12.426) 13.171 6.350 ( 6.248 0.000 -4.734) 7.839 6.456 ( -0.762 -0.000 18.254) 18.270 6.931 ( 4.395 0.000 -4.940) 6.613 7.539 ( -1.049 -0.000 -16.141) 16.175 8.241 ( 14.631 0.000 13.228) 19.724 8.724 ( -11.549 -0.000 13.810) 18.003 9.353 ( -8.440 -0.000 0.948) 8.493 9.851 ( -1.106 -0.000 -6.087) 6.187 9.860 ( -13.783 -0.000 26.624) 29.980 10.788 ( 7.822 0.000 -8.354) 11.445 11.223 ( -23.195 -0.000 -4.685) 23.663 11.826 ( 12.673 0.000 -5.377) 13.767 12.710 ( -4.552 -0.000 1.374) 4.754 12.717 ( -5.130 -0.000 -3.846) 6.411 13.254 ( -3.931 -0.000 0.283) 3.941 13.565 ( 0.661 0.000 -0.324) 0.736 14.905 ( 10.818 0.000 -19.349) 22.168 18.076 ( 18.712 0.000 25.001) 31.228 18.246 ( 2.777 0.000 -20.262) 20.451 19.727 ( 14.979 0.000 -0.165) 14.980 19.981 ( -5.073 -0.000 -6.716) 8.417 20.173 ( -3.526 -0.000 1.925) 4.017 23.060 ( 17.072 0.000 -7.751) 18.749 23.876 ( -10.439 -0.000 8.974) 13.766 24.533 ( -10.659 -0.000 -10.794) 15.170 ======================= Grid point 738 (365/432) ======================= q-point: (-0.09 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -4.543 -3.201 18.886) 19.687 2.115 ( -9.178 -6.295 18.886) 21.922 3.475 ( -2.843 2.789 -3.995) 5.641 3.520 ( 3.686 1.314 -1.888) 4.345 3.617 ( 9.668 -4.429 -10.390) 14.867 4.037 ( -23.595 2.976 10.459) 25.980 4.447 ( -2.486 12.473 -7.153) 14.592 4.644 ( -2.979 -10.788 -5.134) 12.313 5.485 ( 2.913 3.020 -0.972) 4.307 5.616 ( 21.332 -2.717 6.795) 22.553 6.022 ( -5.487 0.732 14.425) 15.450 6.415 ( 11.163 2.308 -2.830) 11.745 6.665 ( 1.328 4.213 19.080) 19.585 6.912 ( -1.318 -2.493 -3.420) 4.433 7.335 ( -3.158 -0.513 -12.938) 13.328 8.529 ( 7.923 10.810 14.467) 19.721 8.841 ( -6.464 -12.269 20.109) 24.427 9.278 ( -4.799 -4.401 -1.685) 6.726 9.780 ( 0.703 1.630 -3.904) 4.289 10.008 ( -7.771 -0.193 22.898) 24.181 10.666 ( -10.234 16.019 -7.334) 20.375 10.944 ( -8.195 -14.559 -6.906) 18.078 11.845 ( 4.502 3.018 -9.313) 10.775 12.581 ( -5.434 4.305 -0.956) 6.998 12.792 ( -0.670 -10.215 6.570) 12.164 13.191 ( -3.357 0.394 -2.049) 3.952 13.578 ( -0.098 -3.138 -0.523) 3.183 14.781 ( 8.625 2.731 -21.587) 23.406 18.077 ( 4.933 2.424 -14.720) 15.712 18.610 ( 23.035 -0.308 17.207) 28.754 19.712 ( -9.953 11.306 -11.654) 19.045 19.958 ( 20.997 -0.799 -4.982) 21.595 20.185 ( -6.785 -10.225 5.773) 13.561 23.195 ( 15.156 0.952 -5.736) 16.233 23.742 ( -13.206 16.165 4.027) 21.258 24.235 ( -20.243 -14.037 -11.728) 27.283 ======================= Grid point 749 (366/432) ======================= q-point: (-0.09 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 3.607 0.000 19.698) 20.025 2.246 ( -4.167 -0.000 23.060) 23.434 3.340 ( -6.883 -0.000 -5.696) 8.934 3.572 ( 7.986 0.000 -11.904) 14.335 3.622 ( 9.461 0.000 -2.956) 9.912 3.894 ( -18.201 -0.000 10.269) 20.898 4.368 ( 0.076 0.000 -13.535) 13.536 4.532 ( -3.820 -0.000 1.644) 4.158 5.499 ( -0.266 -0.000 3.361) 3.371 5.969 ( 19.283 0.000 4.628) 19.831 6.106 ( -7.227 -0.000 14.366) 16.082 6.557 ( 12.568 0.000 -2.169) 12.754 6.823 ( -2.586 -0.000 -4.854) 5.500 6.947 ( 1.231 0.000 21.659) 21.694 7.187 ( -1.703 -0.000 -4.904) 5.191 8.894 ( 9.581 0.000 12.509) 15.757 8.904 ( -10.345 -0.000 25.216) 27.256 9.192 ( -3.728 -0.000 0.714) 3.796 9.751 ( 4.437 0.000 -8.005) 9.152 10.127 ( -16.163 -0.000 20.021) 25.731 10.574 ( -12.456 -0.000 6.165) 13.898 10.715 ( 6.023 0.000 -14.016) 15.255 11.712 ( -3.460 -0.000 -14.930) 15.325 12.528 ( -5.574 -0.000 -2.017) 5.928 12.854 ( -0.272 -0.000 11.550) 11.553 13.132 ( 1.767 0.000 -5.172) 5.466 13.555 ( -0.531 -0.000 -0.351) 0.636 14.642 ( 6.461 0.000 -21.050) 22.019 18.005 ( 7.581 0.000 -12.514) 14.631 19.083 ( 22.995 0.000 10.602) 25.322 19.425 ( -13.115 -0.000 -18.697) 22.838 19.941 ( -8.474 -0.000 -2.154) 8.744 20.392 ( 23.721 0.000 8.793) 25.298 23.323 ( 10.468 0.000 -4.396) 11.353 23.645 ( -26.540 -0.000 -15.951) 30.965 23.739 ( -12.681 -0.000 5.411) 13.787 ======================= Grid point 750 (367/432) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 2.279 0.000 9.746) 10.009 2.928 ( -1.696 -0.000 -7.201) 7.398 3.189 ( 1.778 0.000 11.992) 12.123 3.347 ( -2.526 -0.000 -8.939) 9.290 3.372 ( 2.892 0.000 4.826) 5.627 3.593 ( -2.127 -0.000 -10.915) 11.121 4.308 ( 9.407 0.000 0.043) 9.407 4.320 ( -8.918 -0.000 -1.501) 9.043 5.963 ( 1.742 0.000 9.909) 10.061 6.130 ( -0.867 -0.000 -6.430) 6.488 6.477 ( -7.407 -0.000 10.162) 12.575 6.622 ( -1.283 -0.000 -2.688) 2.978 6.775 ( 3.718 0.000 2.497) 4.478 6.900 ( 2.181 0.000 -7.681) 7.985 8.305 ( 9.559 0.000 27.434) 29.052 8.790 ( -11.296 -0.000 -20.013) 22.981 9.431 ( -4.224 -0.000 6.856) 8.052 9.566 ( 6.107 0.000 -5.840) 8.450 9.631 ( -9.924 -0.000 21.970) 24.107 10.065 ( 7.337 0.000 -20.774) 22.032 10.496 ( -7.238 -0.000 23.265) 24.365 10.930 ( 4.729 0.000 -19.566) 20.130 11.423 ( 12.558 0.000 18.965) 22.746 11.788 ( -12.281 -0.000 -16.597) 20.647 13.088 ( -7.437 -0.000 2.224) 7.762 13.141 ( 10.313 0.000 -3.409) 10.862 13.773 ( -2.404 -0.000 12.185) 12.420 14.044 ( 3.066 0.000 -13.979) 14.311 18.032 ( 13.540 0.000 3.570) 14.003 18.206 ( -14.874 -0.000 -13.364) 19.996 19.693 ( -14.055 -0.000 2.899) 14.351 19.726 ( 12.546 0.000 -0.343) 12.551 21.717 ( 31.369 0.000 17.666) 36.001 22.087 ( -31.286 -0.000 -18.163) 36.176 23.527 ( -12.149 -0.000 1.024) 12.193 23.552 ( 12.745 0.000 -1.699) 12.858 ======================= Grid point 751 (368/432) ======================= q-point: ( 0.09 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -0.121 0.024 -8.960) 8.960 2.905 ( 5.063 0.130 7.785) 9.288 3.222 ( -2.997 1.343 -4.574) 5.631 3.285 ( 0.315 2.922 4.715) 5.556 3.436 ( -1.343 -2.737 -10.920) 11.337 3.522 ( 2.948 1.035 11.067) 11.499 4.218 ( -7.081 -3.942 -0.722) 8.137 4.457 ( 9.312 -5.462 0.371) 10.802 5.994 ( -6.079 0.476 -8.211) 10.227 6.040 ( -4.991 0.942 6.699) 8.406 6.457 ( -10.668 2.351 7.865) 13.461 6.573 ( -4.247 -1.723 0.018) 4.583 6.803 ( 0.733 4.565 -1.742) 4.941 6.884 ( 4.335 -4.784 -3.136) 7.177 8.321 ( -13.741 10.779 -21.253) 27.508 8.659 ( 6.254 11.354 22.239) 25.741 9.419 ( -12.224 -5.931 5.037) 14.490 9.554 ( 0.025 -6.949 -6.926) 9.811 9.794 ( -5.165 0.276 19.871) 20.533 9.969 ( 8.207 -6.121 -16.996) 19.841 10.721 ( 1.853 1.194 19.295) 19.420 10.803 ( 9.084 -1.458 -16.346) 18.757 11.472 ( -1.453 5.328 -17.958) 18.788 11.827 ( 18.002 1.961 16.975) 24.821 13.029 ( -7.899 -6.245 0.454) 10.080 13.246 ( 7.827 -6.384 -3.919) 10.835 13.861 ( -4.956 2.754 12.453) 13.683 13.908 ( 2.094 1.432 -12.953) 13.199 17.908 ( -13.197 -0.644 -7.226) 15.060 18.300 ( 14.879 -0.754 10.187) 18.048 19.519 ( -15.491 2.205 1.672) 15.736 19.839 ( 6.069 0.918 -0.055) 6.139 21.489 ( -26.352 1.278 -18.618) 32.291 22.328 ( 30.244 0.577 18.317) 35.363 23.391 ( -10.885 -1.141 0.198) 10.946 23.707 ( 12.570 -1.505 -0.801) 12.686 ======================= Grid point 752 (369/432) ======================= q-point: ( 0.18 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.207 -1.812 -11.225) 11.372 3.035 ( 1.409 -1.077 3.091) 3.563 3.135 ( 0.634 -0.179 -6.372) 6.406 3.263 ( -1.767 1.976 2.239) 3.470 3.420 ( 0.515 -4.468 1.501) 4.741 3.653 ( 3.263 5.918 9.569) 11.715 4.185 ( -1.850 -3.756 -0.671) 4.240 4.636 ( 6.901 -9.907 0.468) 12.083 5.793 ( -9.096 0.965 -7.926) 12.103 5.961 ( -14.157 0.934 2.874) 14.476 6.354 ( -12.424 3.242 4.842) 13.722 6.529 ( -6.617 -1.903 1.362) 7.018 6.751 ( 2.256 5.294 -2.293) 6.195 6.957 ( 3.731 -4.995 -1.513) 6.415 7.831 ( -9.814 12.240 -18.546) 24.292 8.765 ( 2.503 19.980 9.825) 22.405 9.343 ( -11.667 -5.589 1.634) 13.040 9.544 ( -3.318 -10.376 -3.788) 11.533 9.892 ( -3.310 -3.003 3.754) 5.837 9.973 ( -4.443 -8.973 1.051) 10.068 10.755 ( 12.173 2.538 -9.281) 15.517 11.028 ( 8.950 0.312 16.551) 18.819 11.257 ( 10.845 7.914 -20.271) 24.314 12.217 ( 18.340 3.885 12.320) 22.432 13.007 ( -5.205 -9.241 0.032) 10.606 13.332 ( 1.938 -9.968 -6.127) 11.860 13.792 ( 3.391 -0.222 -8.991) 9.612 13.914 ( -5.707 2.737 12.304) 13.837 17.703 ( -11.741 0.069 -1.099) 11.793 18.649 ( 15.166 -0.288 14.706) 21.127 19.299 ( -14.237 3.453 -1.712) 14.750 19.872 ( -3.106 -1.017 2.176) 3.927 20.981 ( -16.300 2.094 -17.898) 24.299 22.883 ( 25.303 3.384 16.741) 30.528 23.264 ( -9.248 -0.841 -1.246) 9.370 23.896 ( 12.614 -4.605 1.617) 13.526 ======================= Grid point 753 (370/432) ======================= q-point: ( 0.27 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.026 -6.303 -13.124) 14.559 2.975 ( -1.285 -5.804 -13.191) 14.469 3.111 ( -8.470 0.519 9.679) 12.872 3.344 ( 7.080 0.669 3.969) 8.144 3.495 ( -0.110 -6.155 2.971) 6.835 3.735 ( 3.443 9.928 9.026) 13.852 4.212 ( 4.851 -0.873 -1.709) 5.217 4.794 ( 3.842 -10.117 -0.606) 10.839 5.568 ( -12.850 1.873 -4.341) 13.692 5.760 ( -17.413 -2.487 -0.593) 17.600 6.193 ( -13.246 4.711 2.297) 14.245 6.471 ( -6.276 -0.322 1.843) 6.549 6.711 ( 1.874 5.615 -2.641) 6.482 7.023 ( 2.004 -5.287 -1.085) 5.757 7.470 ( -1.259 10.661 -14.203) 17.804 8.652 ( -0.846 19.789 -0.788) 19.822 9.267 ( -11.503 -7.088 2.341) 13.713 9.552 ( -1.245 -9.716 -4.017) 10.587 9.874 ( -12.384 -17.477 -2.251) 21.538 9.991 ( -3.035 8.243 9.313) 12.802 10.808 ( 8.408 8.461 0.347) 11.933 11.145 ( 20.433 4.554 -23.775) 31.678 11.327 ( 8.832 1.202 13.545) 16.215 12.484 ( 12.163 2.318 3.838) 12.963 13.056 ( 0.277 -6.646 0.455) 6.667 13.318 ( -0.993 -8.084 -6.901) 10.676 13.783 ( 0.981 -0.613 -0.688) 1.346 13.997 ( -0.832 -5.173 9.302) 10.676 17.573 ( -10.683 1.748 5.236) 12.025 18.958 ( 5.133 7.599 6.099) 11.013 19.112 ( -1.231 -2.784 1.118) 3.243 19.817 ( -13.597 -3.748 3.464) 14.523 20.654 ( -2.645 2.456 -13.006) 13.498 23.130 ( -10.714 -2.940 -1.668) 11.235 23.280 ( 19.822 9.827 9.757) 24.180 24.166 ( 13.339 -8.262 6.689) 17.057 ======================= Grid point 754 (371/432) ======================= q-point: ( 0.36 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -3.168 -7.987 -13.161) 15.718 2.875 ( 2.053 -3.514 -10.755) 11.499 3.132 ( -10.457 -4.981 12.713) 17.198 3.433 ( 1.649 1.929 1.601) 3.000 3.606 ( 3.813 -9.362 1.648) 10.242 3.795 ( 3.442 10.676 8.627) 14.151 4.282 ( 10.000 2.246 -1.916) 10.427 4.864 ( -1.531 -4.506 -1.951) 5.143 5.338 ( -15.731 -2.532 -1.764) 16.031 5.596 ( -11.032 -5.140 -0.283) 12.173 6.010 ( -10.572 5.886 2.053) 12.273 6.413 ( -4.495 0.509 0.068) 4.525 6.620 ( -2.724 6.441 -3.662) 7.895 7.069 ( -0.806 -5.624 -0.251) 5.688 7.303 ( 8.449 8.117 -9.668) 15.190 8.439 ( -3.412 14.710 -4.239) 15.684 9.210 ( -11.503 -6.774 2.907) 13.663 9.593 ( 1.861 -10.376 -3.813) 11.211 9.836 ( -15.377 -17.187 2.006) 23.149 9.975 ( 1.440 15.252 7.224) 16.938 10.809 ( 0.904 11.899 4.854) 12.882 11.137 ( 22.221 1.141 -23.036) 32.027 11.531 ( 4.658 2.149 8.187) 9.661 12.621 ( 7.233 -2.314 0.231) 7.598 13.055 ( -2.617 -3.182 -4.756) 6.292 13.350 ( 3.690 -4.509 -2.427) 6.312 13.800 ( -0.986 2.377 5.937) 6.471 14.174 ( 3.542 -11.627 4.166) 12.848 17.530 ( -8.648 1.629 12.355) 15.169 18.770 ( -4.021 5.804 -14.400) 16.038 19.331 ( 9.590 0.737 8.979) 13.158 19.687 ( -14.257 -3.361 2.575) 14.872 20.565 ( 3.941 0.233 -4.129) 5.712 22.996 ( -7.837 -1.580 -3.205) 8.613 23.478 ( 10.664 8.210 4.575) 14.214 24.500 ( 11.554 -7.786 9.323) 16.764 ======================= Grid point 755 (372/432) ======================= q-point: (-0.55 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -6.510 -3.599 -7.650) 10.671 2.817 ( -2.143 1.935 -2.200) 3.630 3.216 ( -2.306 -7.332 6.293) 9.934 3.421 ( -0.858 1.091 -0.170) 1.398 3.766 ( 3.632 -9.094 2.512) 10.109 3.831 ( 2.180 6.750 3.697) 7.999 4.380 ( 9.440 2.864 -0.825) 9.899 4.780 ( -8.136 0.216 -1.207) 8.228 5.209 ( -7.466 -7.021 -2.208) 10.484 5.544 ( -4.410 -2.800 1.786) 5.520 5.907 ( -4.753 3.242 5.153) 7.724 6.331 ( -1.931 1.336 -6.709) 7.108 6.490 ( -5.320 4.285 1.343) 6.962 7.089 ( -2.811 -4.488 0.411) 5.311 7.290 ( 10.693 4.549 -7.444) 13.800 8.264 ( -3.023 7.932 -1.154) 8.566 9.148 ( -8.606 -3.824 2.233) 9.678 9.686 ( 2.724 -10.323 -0.825) 10.708 9.793 ( -10.197 -6.193 1.208) 11.991 9.952 ( -0.523 10.990 7.354) 13.233 10.771 ( -4.307 7.833 7.555) 11.704 11.140 ( 17.337 0.763 -20.219) 26.645 11.610 ( 1.898 2.382 2.866) 4.183 12.724 ( 3.584 -3.015 0.358) 4.697 12.987 ( -1.745 -2.372 -4.582) 5.446 13.365 ( -0.952 0.421 -0.850) 1.344 13.853 ( 1.025 3.369 5.828) 6.810 14.343 ( 4.651 -10.478 -1.302) 11.538 17.620 ( -4.329 -1.678 18.047) 18.634 18.487 ( -0.452 5.230 -20.412) 21.076 19.492 ( 4.911 0.622 3.777) 6.227 19.605 ( -4.786 -1.569 1.735) 5.327 20.598 ( 2.309 -0.132 0.538) 2.374 22.896 ( -4.327 -2.528 -2.675) 5.681 23.554 ( 4.536 4.508 1.724) 6.624 24.759 ( 5.628 -3.942 6.114) 9.198 ======================= Grid point 756 (373/432) ======================= q-point: (-0.45 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -5.512 3.474 2.888) 7.127 2.723 ( -9.028 7.633 6.221) 13.359 3.304 ( 3.986 -2.780 -1.494) 5.084 3.424 ( 1.776 -2.035 -0.623) 2.772 3.778 ( 0.792 11.948 0.089) 11.975 3.916 ( -0.356 -16.498 -2.491) 16.689 4.381 ( -8.377 -2.284 -0.888) 8.728 4.759 ( 5.581 -1.555 0.689) 5.834 5.180 ( 0.971 0.312 0.205) 1.040 5.554 ( 1.936 0.949 1.067) 2.405 5.939 ( -0.686 -1.456 5.906) 6.122 6.233 ( 0.583 0.116 -3.624) 3.673 6.472 ( -1.740 -0.566 5.576) 5.869 7.080 ( -4.729 -2.521 1.546) 5.578 7.291 ( 6.324 1.153 -8.550) 10.697 8.218 ( -1.152 -0.349 3.731) 3.920 9.128 ( -1.446 0.832 4.236) 4.553 9.691 ( -4.479 7.025 -1.512) 8.467 9.801 ( 4.577 -5.856 0.114) 7.434 9.946 ( -7.770 -0.099 8.833) 11.765 10.742 ( -9.024 3.250 10.078) 13.913 11.109 ( 10.644 -1.556 -17.338) 20.404 11.635 ( 2.533 1.663 0.143) 3.034 12.742 ( -2.258 0.416 -1.083) 2.539 12.956 ( 1.201 -0.011 -2.006) 2.338 13.331 ( -3.673 1.337 2.435) 4.605 13.870 ( -0.969 5.977 3.370) 6.930 14.421 ( 4.750 -6.727 -8.365) 11.739 17.816 ( 0.606 -4.386 10.066) 10.997 18.272 ( 4.840 1.781 -10.454) 11.656 19.540 ( -1.161 -2.626 -1.015) 3.045 19.626 ( 6.025 0.778 -0.332) 6.085 20.603 ( -1.489 2.567 0.489) 3.008 22.877 ( 0.226 -4.464 -0.882) 4.556 23.572 ( -0.376 -0.069 0.043) 0.384 24.826 ( -2.610 1.403 -0.382) 2.988 ======================= Grid point 757 (374/432) ======================= q-point: (-0.36 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -2.576 8.593 12.605) 15.471 2.633 ( -8.272 10.212 12.392) 18.063 3.332 ( 5.680 0.549 -5.497) 7.923 3.463 ( 0.964 -3.280 -1.658) 3.800 3.658 ( 1.168 10.958 -4.492) 11.901 3.976 ( -3.422 -16.151 -6.803) 17.857 4.255 ( -13.153 -5.169 0.329) 14.136 4.834 ( 1.353 2.087 0.556) 2.548 5.284 ( 12.823 0.812 3.374) 13.285 5.594 ( 7.603 4.785 0.186) 8.986 6.039 ( 4.675 -6.153 2.557) 8.140 6.278 ( 1.112 -0.617 6.338) 6.464 6.574 ( 3.235 -5.080 5.486) 8.147 7.053 ( -5.577 -0.493 4.206) 7.003 7.233 ( 0.339 -0.646 -7.806) 7.840 8.324 ( 1.128 -9.217 7.259) 11.786 9.193 ( 5.210 4.632 6.065) 9.240 9.541 ( -3.350 12.176 -0.803) 12.654 9.869 ( 9.364 12.386 -0.921) 15.555 9.985 ( -12.745 -19.524 8.419) 24.789 10.705 ( -14.784 1.840 13.706) 20.243 11.041 ( 4.829 -1.591 -14.279) 15.157 11.650 ( 2.377 -0.830 -3.718) 4.490 12.645 ( -6.484 2.430 -2.199) 7.265 12.976 ( 3.658 2.539 1.924) 4.851 13.295 ( -5.485 2.703 3.426) 7.009 13.811 ( -3.391 8.385 2.394) 9.356 14.392 ( 5.133 -4.046 -14.893) 16.264 17.826 ( 4.883 -1.526 -13.571) 14.503 18.448 ( 10.275 -6.550 14.167) 18.686 19.482 ( -7.042 -5.466 -5.843) 10.659 19.736 ( 14.928 2.421 -2.208) 15.283 20.529 ( -4.612 5.615 0.472) 7.282 22.953 ( 4.030 -6.283 0.810) 7.508 23.546 ( -4.919 -4.398 -2.058) 6.913 24.660 ( -10.942 7.252 -6.224) 14.528 ======================= Grid point 758 (375/432) ======================= q-point: (-0.27 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.244 7.389 15.613) 17.275 2.648 ( -3.290 9.831 17.650) 20.470 3.311 ( 3.041 0.578 -8.306) 8.864 3.423 ( -3.793 -1.415 -3.733) 5.506 3.580 ( 7.342 7.392 -5.415) 11.742 3.943 ( -6.376 -14.072 -9.625) 18.202 4.166 ( -7.771 -3.796 2.081) 8.896 4.779 ( -2.972 8.253 0.693) 8.800 5.477 ( 6.790 -1.847 3.979) 8.084 5.740 ( 19.284 3.216 1.676) 19.622 6.215 ( 7.799 -6.657 3.011) 10.686 6.371 ( 1.134 0.174 6.741) 6.837 6.710 ( 2.669 -6.050 0.313) 6.620 7.055 ( 1.480 3.932 0.199) 4.206 7.192 ( -4.934 -6.001 7.454) 10.766 8.547 ( 1.358 -16.881 8.562) 18.977 9.295 ( 8.187 5.984 1.898) 10.317 9.416 ( -3.259 11.654 6.637) 13.802 9.843 ( 6.810 17.430 0.851) 18.733 10.105 ( -5.459 -21.743 1.168) 22.449 10.644 ( -22.148 1.673 19.961) 29.863 10.939 ( 2.974 2.860 -10.119) 10.928 11.583 ( -2.758 -2.394 -11.140) 11.723 12.524 ( -7.381 -0.608 -1.185) 7.501 13.040 ( 4.344 3.329 3.032) 6.256 13.213 ( -5.224 6.965 2.743) 9.128 13.715 ( -4.633 8.676 3.083) 10.308 14.304 ( 6.315 -3.789 -17.965) 19.416 17.766 ( 8.118 -1.774 -12.682) 15.162 18.832 ( 13.653 -8.707 11.785) 20.028 19.307 ( -11.244 -4.451 -11.394) 16.615 19.893 ( 15.253 2.816 -4.085) 16.039 20.461 ( -0.284 5.627 6.218) 8.391 23.086 ( 4.192 -8.116 1.543) 9.264 23.456 ( -8.841 -6.109 -6.543) 12.581 24.311 ( -16.350 11.887 -7.472) 21.551 ======================= Grid point 759 (376/432) ======================= q-point: (-0.18 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 1.344 2.304 14.226) 14.474 2.771 ( -0.924 7.024 20.041) 21.256 3.202 ( -5.116 -0.537 -6.599) 8.367 3.365 ( 3.267 -0.095 -7.109) 7.825 3.556 ( 6.651 3.331 -8.167) 11.047 3.837 ( -7.742 -8.778 -8.365) 14.386 4.162 ( -0.078 -1.619 1.397) 2.140 4.649 ( -5.050 9.935 -0.668) 11.164 5.620 ( 4.276 -0.729 8.302) 9.367 5.995 ( 17.716 -0.128 -0.493) 17.723 6.368 ( -1.966 -2.856 8.652) 9.321 6.482 ( 10.715 -1.059 -0.666) 10.788 6.744 ( -1.710 -3.156 -0.570) 3.635 7.003 ( 2.501 3.016 -5.793) 6.993 7.425 ( 2.872 -8.043 21.309) 22.956 8.805 ( -0.883 -22.575 5.213) 23.186 9.312 ( 2.043 6.481 3.366) 7.584 9.458 ( 4.088 6.682 8.228) 11.361 9.770 ( 3.831 21.475 2.025) 21.908 10.198 ( -0.303 -16.299 -7.154) 17.803 10.545 ( -22.206 2.779 15.244) 27.078 10.903 ( 1.477 3.428 6.785) 7.744 11.373 ( -5.988 -1.600 -16.325) 17.462 12.400 ( -12.192 -5.156 -5.545) 14.352 13.050 ( 4.523 5.023 -3.834) 7.771 13.177 ( -0.593 9.693 8.968) 13.219 13.639 ( -4.113 4.581 4.704) 7.748 14.220 ( 6.569 -3.984 -16.860) 18.528 17.778 ( 10.097 -1.133 -7.952) 12.902 18.978 ( -14.816 -5.173 -16.529) 22.792 19.220 ( 16.836 -3.253 5.818) 18.108 19.919 ( -1.109 1.813 -2.824) 3.534 20.662 ( 18.717 2.741 13.097) 23.008 23.134 ( -23.521 -16.822 -5.223) 29.385 23.308 ( 10.808 5.832 -8.036) 14.677 23.936 ( -15.629 10.350 -2.485) 18.909 ======================= Grid point 760 (377/432) ======================= q-point: (-0.09 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 1.045 -0.004 11.746) 11.792 2.955 ( 0.794 1.875 15.896) 16.026 3.073 ( -4.602 -0.418 -2.857) 5.433 3.339 ( 3.679 -0.320 -5.127) 6.318 3.482 ( 1.115 -0.043 -11.403) 11.457 3.721 ( -3.762 -2.422 -7.048) 8.348 4.211 ( 5.576 0.570 0.188) 5.608 4.479 ( -7.455 6.932 -1.744) 10.328 5.795 ( 4.260 -0.528 10.873) 11.690 6.145 ( 7.980 -0.511 -3.701) 8.811 6.437 ( -6.036 -0.840 10.783) 12.386 6.612 ( 11.450 -1.429 -5.978) 12.996 6.730 ( -4.191 0.025 4.075) 5.845 6.953 ( 3.545 0.985 -7.262) 8.141 7.840 ( 8.615 -6.303 25.879) 27.994 8.965 ( -4.612 -20.942 -6.685) 22.462 9.366 ( 2.179 4.347 8.254) 9.580 9.538 ( 5.964 3.717 1.080) 7.109 9.633 ( -6.971 18.255 9.558) 21.753 10.194 ( 4.586 -6.315 -16.033) 17.832 10.422 ( -16.579 3.427 16.801) 23.851 11.085 ( 4.522 -0.926 16.736) 17.361 11.127 ( -1.566 -0.065 -16.416) 16.491 12.139 ( -16.352 -4.059 -13.098) 21.340 13.063 ( 9.611 4.137 -3.089) 10.909 13.159 ( -4.378 7.259 5.318) 10.007 13.666 ( -1.776 -0.302 9.300) 9.473 14.144 ( 5.111 -2.561 -14.815) 15.880 17.864 ( 11.820 -0.100 -2.655) 12.115 18.588 ( -15.830 -0.268 -17.538) 23.627 19.517 ( 16.462 -2.812 1.904) 16.808 19.824 ( -10.126 -0.142 1.325) 10.213 21.133 ( 28.489 0.863 15.828) 32.602 22.688 ( -31.836 -4.355 -16.324) 36.041 23.412 ( 13.215 1.246 -2.362) 13.482 23.691 ( -13.238 3.494 1.016) 13.729 ======================= Grid point 762 (378/432) ======================= q-point: ( 0.09 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -1.663 -0.000 -11.300) 11.422 3.019 ( 0.037 0.000 -1.722) 1.722 3.135 ( 2.230 0.000 -4.700) 5.202 3.287 ( -1.176 -0.000 -3.622) 3.808 3.371 ( -2.170 -0.000 7.359) 7.673 3.716 ( 4.627 0.000 11.564) 12.455 4.154 ( -0.852 -0.000 1.431) 1.665 4.537 ( 6.418 0.000 -0.074) 6.419 5.801 ( -8.688 -0.000 -8.107) 11.883 5.971 ( -14.764 -0.000 2.488) 14.972 6.387 ( -13.777 -0.000 5.996) 15.026 6.508 ( -5.019 -0.000 1.234) 5.168 6.819 ( 2.796 0.000 -3.463) 4.451 6.891 ( 3.081 0.000 -0.285) 3.095 7.938 ( -11.856 -0.000 -21.202) 24.292 8.965 ( -1.951 -0.000 14.864) 14.992 9.321 ( -12.728 -0.000 9.379) 15.810 9.417 ( 0.722 0.000 -9.136) 9.165 9.771 ( -1.355 -0.000 -19.403) 19.450 9.971 ( -5.059 -0.000 20.134) 20.760 10.774 ( 16.702 0.000 -13.439) 21.437 11.034 ( 8.627 0.000 18.851) 20.731 11.337 ( 11.662 0.000 -22.175) 25.054 12.258 ( 17.550 0.000 14.069) 22.493 12.922 ( -5.185 -0.000 1.558) 5.414 13.232 ( 2.933 0.000 -6.474) 7.108 13.788 ( 2.605 0.000 -12.306) 12.579 13.944 ( -7.797 -0.000 13.867) 15.908 17.703 ( -11.340 -0.000 -0.445) 11.349 18.647 ( 15.585 0.000 15.756) 22.162 19.332 ( -15.300 -0.000 -1.334) 15.358 19.860 ( -5.244 -0.000 2.144) 5.665 20.999 ( -14.507 -0.000 -19.843) 24.581 22.902 ( 19.987 0.000 19.885) 28.193 23.271 ( -3.526 -0.000 -0.775) 3.610 23.851 ( 12.077 0.000 -0.738) 12.100 ======================= Grid point 763 (379/432) ======================= q-point: ( 0.18 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -3.224 -2.353 -13.343) 13.927 2.883 ( -1.025 -3.667 -15.300) 15.766 3.126 ( -6.322 0.766 4.421) 7.752 3.352 ( 7.570 0.285 3.996) 8.565 3.415 ( -3.326 -2.805 4.554) 6.298 3.889 ( 4.040 6.347 12.549) 14.631 4.209 ( 5.799 0.292 1.909) 6.112 4.627 ( 2.939 -7.278 -0.261) 7.853 5.599 ( -9.813 1.261 -5.162) 11.159 5.730 ( -22.336 -0.987 -1.038) 22.382 6.256 ( -13.386 2.283 4.193) 14.212 6.464 ( -4.494 -0.333 1.218) 4.668 6.801 ( 1.786 4.613 -1.657) 5.217 6.935 ( 1.312 -4.549 -1.273) 4.903 7.586 ( -4.817 3.304 -16.779) 17.766 8.925 ( -8.594 10.527 0.051) 13.589 9.257 ( -7.008 6.025 6.772) 11.457 9.403 ( -1.084 -7.436 -3.713) 8.382 9.562 ( -8.348 -15.603 -11.914) 21.333 10.107 ( -6.284 3.756 18.494) 19.890 10.899 ( 20.570 2.387 -7.151) 21.908 11.240 ( 18.745 4.798 -25.678) 32.152 11.353 ( 9.794 0.980 14.706) 17.696 12.528 ( 8.200 2.133 3.524) 9.176 12.976 ( 5.241 -2.057 5.653) 7.978 13.172 ( -2.090 -7.161 -8.375) 11.216 13.725 ( 5.217 -2.933 -8.928) 10.749 13.992 ( -9.429 1.201 15.888) 18.514 17.593 ( -10.303 0.637 5.702) 11.793 19.042 ( 14.218 1.777 18.007) 23.013 19.096 ( -12.562 0.786 -6.114) 13.993 19.765 ( -14.877 -1.930 3.813) 15.479 20.680 ( -0.959 0.712 -17.545) 17.586 23.040 ( -13.924 -3.474 4.068) 14.916 23.497 ( 23.945 9.951 11.774) 28.478 24.024 ( 11.704 -6.918 1.011) 13.633 ======================= Grid point 764 (380/432) ======================= q-point: ( 0.27 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -1.055 -5.640 -12.953) 14.166 2.768 ( 4.312 -7.168 -15.013) 17.186 3.093 ( -11.508 -0.564 11.055) 15.968 3.422 ( -3.940 -3.240 1.754) 5.394 3.505 ( 7.157 -1.858 2.110) 7.690 3.995 ( 1.589 11.690 12.848) 17.442 4.329 ( 10.680 2.810 1.820) 11.192 4.720 ( -0.598 -10.870 -0.344) 10.892 5.338 ( -22.581 1.804 -2.235) 22.763 5.512 ( -10.021 -4.565 -0.849) 11.045 6.110 ( -10.757 5.115 3.730) 12.481 6.418 ( -3.394 0.164 -0.642) 3.458 6.729 ( -2.980 6.496 -2.465) 7.560 6.961 ( -2.352 -6.826 -1.297) 7.336 7.399 ( 4.845 3.210 -10.965) 12.410 8.647 ( -11.492 10.206 -7.173) 16.961 9.201 ( -5.160 4.761 4.253) 8.209 9.368 ( -4.104 -14.364 -7.249) 16.605 9.581 ( -4.641 -12.756 3.884) 14.119 10.170 ( -6.255 7.610 15.151) 18.071 11.038 ( 14.418 12.741 -1.823) 19.327 11.163 ( 23.360 2.123 -27.096) 35.839 11.578 ( 6.056 2.574 8.101) 10.437 12.595 ( 4.186 -0.550 -0.296) 4.232 13.000 ( -4.097 -3.007 -5.636) 7.589 13.250 ( 8.240 -6.361 0.678) 10.432 13.754 ( 5.336 -6.282 -5.650) 9.993 14.074 ( -6.447 -0.817 17.402) 18.576 17.553 ( -9.852 1.056 11.547) 15.215 18.825 ( -9.504 1.389 -12.672) 15.900 19.392 ( 12.079 5.051 14.669) 19.662 19.634 ( -12.989 -2.703 3.446) 13.708 20.547 ( 4.153 -1.740 -10.753) 11.658 22.910 ( -15.049 -5.555 1.013) 16.074 23.731 ( 15.607 18.591 5.176) 24.819 24.323 ( 11.887 -13.267 7.351) 19.270 ======================= Grid point 765 (381/432) ======================= q-point: ( 0.36 0.09 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 1.926 -2.613 -7.171) 7.872 2.768 ( 7.936 -7.330 -11.261) 15.605 3.116 ( -9.566 -3.767 14.516) 17.788 3.398 ( -4.645 -3.758 -0.509) 5.996 3.617 ( 3.465 -4.691 0.472) 5.851 4.035 ( -0.257 13.369 10.662) 17.102 4.453 ( 9.085 5.329 0.870) 10.569 4.738 ( -8.921 -5.854 -0.520) 10.683 5.072 ( -14.392 -7.402 0.509) 16.192 5.484 ( -2.212 -3.941 2.536) 5.182 6.000 ( -5.930 6.570 5.518) 10.430 6.350 ( -1.584 0.902 -5.626) 5.914 6.575 ( -6.690 5.638 -1.940) 8.962 6.964 ( -5.858 -8.727 -0.082) 10.511 7.366 ( 7.929 3.266 -6.982) 11.059 8.351 ( -11.495 3.546 -6.645) 13.743 9.155 ( -1.914 1.315 1.579) 2.808 9.401 ( -5.821 -15.466 1.323) 16.578 9.680 ( -0.405 -5.928 4.507) 7.458 10.176 ( -5.049 9.885 11.953) 16.312 10.989 ( 10.071 15.541 -8.736) 20.476 11.187 ( 17.345 5.352 -15.127) 23.629 11.661 ( 4.399 2.819 0.118) 5.226 12.672 ( 3.602 -2.619 1.617) 4.738 12.922 ( -3.553 -5.235 -3.654) 7.306 13.352 ( 2.380 -1.721 -1.350) 3.233 13.823 ( 4.479 -6.769 -3.549) 8.859 14.226 ( -1.212 -2.587 13.465) 13.764 17.599 ( -7.955 -0.937 17.126) 18.907 18.533 ( -5.289 0.853 -19.349) 20.078 19.570 ( 0.813 1.192 3.848) 4.110 19.594 ( 3.415 6.454 5.526) 9.157 20.546 ( 2.476 -5.501 -3.616) 7.034 22.787 ( -13.808 -7.834 1.315) 15.930 23.766 ( 10.024 17.887 0.269) 20.507 24.639 ( 6.418 -10.345 7.198) 14.143 ======================= Grid point 766 (382/432) ======================= q-point: (-0.55 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 4.192 4.366 3.215) 6.853 2.783 ( -0.223 -0.763 -1.575) 1.764 3.235 ( 0.891 -4.877 7.677) 9.138 3.371 ( -2.983 -4.430 -0.903) 5.416 3.685 ( -1.749 -9.843 -0.888) 10.037 4.005 ( -0.491 14.168 4.691) 14.932 4.379 ( -13.039 1.776 -2.502) 13.395 4.712 ( 1.453 -3.773 1.924) 4.478 5.110 ( 0.561 -7.496 6.055) 9.652 5.553 ( 3.848 -1.290 2.672) 4.859 5.980 ( -0.522 5.541 5.869) 8.089 6.240 ( -0.476 0.819 -6.379) 6.449 6.479 ( -3.729 1.329 2.800) 4.849 6.951 ( -9.995 -10.360 1.767) 14.503 7.348 ( 5.422 3.612 -7.124) 9.654 8.163 ( -9.303 -5.113 -2.981) 11.026 9.187 ( 4.128 2.459 4.363) 6.490 9.481 ( -8.577 -15.727 5.329) 18.689 9.754 ( 1.951 -0.005 1.742) 2.616 10.157 ( -3.094 11.509 9.563) 15.280 10.885 ( 2.546 13.482 -2.071) 13.875 11.140 ( 11.976 5.415 -17.196) 21.643 11.682 ( 5.889 3.565 -2.995) 7.507 12.732 ( -0.850 -1.395 1.322) 2.101 12.920 ( -0.116 -4.134 0.289) 4.146 13.344 ( -2.252 0.130 0.636) 2.344 13.879 ( 2.441 -5.251 -4.248) 7.182 14.353 ( 0.293 -0.784 5.838) 5.898 17.748 ( -3.938 -3.659 16.479) 17.334 18.266 ( -0.278 -2.038 -18.093) 18.209 19.599 ( 0.914 8.930 0.339) 8.983 19.635 ( 8.005 0.312 0.384) 8.020 20.581 ( -0.915 -5.097 -1.167) 5.308 22.728 ( -11.080 -10.788 3.233) 15.798 23.721 ( 6.546 15.230 -2.177) 16.720 24.792 ( -1.824 -5.385 1.922) 6.001 ======================= Grid point 767 (383/432) ======================= q-point: (-0.45 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 3.043 10.093 11.790) 15.815 2.757 ( -4.939 4.200 7.163) 9.662 3.340 ( 4.698 0.153 -1.689) 4.995 3.380 ( -1.752 -6.548 0.139) 6.780 3.713 ( -5.683 -13.409 -3.122) 14.894 3.888 ( 1.373 14.925 -3.910) 15.490 4.188 ( -13.656 -2.739 1.754) 14.038 4.805 ( 1.607 -4.684 2.443) 5.522 5.283 ( 6.900 -1.977 6.839) 9.914 5.653 ( 8.216 1.986 1.736) 8.629 5.999 ( 5.077 2.080 -0.146) 5.488 6.257 ( 1.030 -1.713 6.487) 6.788 6.508 ( 1.167 -2.670 3.721) 4.726 6.928 ( -12.725 -11.719 4.876) 17.973 7.280 ( 2.708 4.055 -7.888) 9.273 8.134 ( -5.780 -12.815 1.644) 14.154 9.305 ( 8.073 5.301 7.001) 11.928 9.554 ( -8.776 -12.438 6.036) 16.376 9.766 ( 0.271 2.425 -0.094) 2.442 10.131 ( -0.442 12.782 8.203) 15.194 10.788 ( -6.804 9.700 7.181) 13.854 11.043 ( 11.933 1.761 -20.400) 23.700 11.677 ( 4.745 4.278 -5.171) 8.219 12.683 ( -6.678 1.650 -1.023) 6.955 12.984 ( 2.691 -1.425 3.464) 4.612 13.328 ( -3.560 0.862 3.539) 5.093 13.873 ( 0.298 -1.969 -4.680) 5.086 14.368 ( -0.578 1.843 -2.171) 2.906 17.804 ( 2.061 -0.977 -9.317) 9.592 18.289 ( 3.701 -11.765 9.228) 15.403 19.490 ( -4.230 6.065 -3.981) 8.398 19.775 ( 15.562 2.158 -1.478) 15.780 20.565 ( -2.970 -1.570 -1.778) 3.801 22.754 ( -9.038 -14.369 5.210) 17.757 23.638 ( 4.261 12.475 -4.097) 13.805 24.721 ( -9.890 0.195 -4.338) 10.801 ======================= Grid point 768 (384/432) ======================= q-point: (-0.36 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -1.593 10.294 13.757) 17.256 2.787 ( -2.258 5.904 13.720) 15.106 3.312 ( -3.079 -1.238 -5.046) 6.039 3.398 ( 0.842 -1.105 -2.940) 3.252 3.695 ( -5.808 -14.505 -6.961) 17.105 3.746 ( 5.280 12.006 -7.358) 15.039 4.121 ( -6.183 -1.475 5.587) 8.463 4.854 ( -2.376 0.047 2.569) 3.499 5.454 ( 6.748 -0.932 5.245) 8.597 5.792 ( 13.846 2.616 1.919) 14.221 6.120 ( 10.407 -3.580 1.554) 11.115 6.367 ( -0.179 -0.669 8.444) 8.473 6.613 ( 3.740 -5.195 0.789) 6.450 6.973 ( -8.998 -12.827 11.759) 19.590 7.181 ( 0.418 4.044 -6.315) 7.510 8.243 ( -4.578 -19.108 4.379) 20.130 9.447 ( 10.984 9.613 5.756) 15.690 9.573 ( -4.020 4.273 4.560) 7.430 9.768 ( -6.247 -12.416 3.120) 14.245 10.128 ( 1.958 13.549 8.551) 16.141 10.709 ( -13.680 7.027 13.783) 20.652 10.962 ( 12.961 0.333 -19.969) 23.809 11.587 ( -0.611 3.864 -10.257) 10.978 12.534 ( -10.425 1.282 -2.465) 10.789 13.078 ( 4.300 1.254 4.130) 6.093 13.310 ( -3.085 4.006 4.727) 6.922 13.824 ( -1.505 2.095 -1.998) 3.263 14.272 ( -0.537 1.597 -9.486) 9.634 17.733 ( 7.500 -2.049 -12.898) 15.060 18.618 ( 5.161 -15.708 12.737) 20.872 19.310 ( -6.179 4.492 -6.951) 10.328 19.936 ( 13.235 2.138 -3.056) 13.750 20.533 ( 3.286 2.375 0.617) 4.102 22.829 ( -11.110 -18.043 5.419) 21.871 23.533 ( 4.199 11.005 -6.295) 13.355 24.454 ( -15.537 5.306 -7.880) 18.212 ======================= Grid point 769 (385/432) ======================= q-point: (-0.27 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -1.675 5.688 12.775) 14.084 2.889 ( -2.637 5.867 16.932) 18.113 3.187 ( -6.753 -1.363 -5.873) 9.053 3.366 ( 2.189 0.154 -6.082) 6.466 3.599 ( -2.050 -4.040 -12.056) 12.879 3.700 ( 3.439 -0.462 -5.046) 6.124 4.165 ( 1.730 1.754 6.243) 6.712 4.795 ( -5.121 6.137 0.446) 8.005 5.608 ( 4.879 -0.540 8.130) 9.497 5.993 ( 15.150 -0.236 -0.438) 15.158 6.306 ( 5.696 -3.957 4.360) 8.192 6.465 ( 3.329 -1.033 4.839) 5.963 6.684 ( 2.306 -3.653 -0.887) 4.410 7.057 ( -0.922 2.515 -3.776) 4.630 7.232 ( 0.199 -13.996 17.227) 22.197 8.406 ( -6.110 -24.546 3.085) 25.482 9.483 ( 3.630 13.066 0.898) 13.591 9.583 ( 3.385 8.634 9.619) 13.361 9.877 ( -2.889 -16.638 2.130) 17.021 10.139 ( 2.285 15.559 8.922) 18.081 10.611 ( -17.581 6.176 13.283) 22.884 10.939 ( 13.000 0.771 -10.787) 16.910 11.368 ( -4.927 2.520 -14.911) 15.905 12.332 ( -14.543 -2.561 -6.272) 16.044 13.151 ( 6.536 6.145 1.393) 9.078 13.315 ( -0.278 5.995 7.866) 9.894 13.746 ( -5.467 6.556 2.306) 8.843 14.144 ( 2.214 -3.547 -14.581) 15.168 17.752 ( 10.631 -1.962 -7.433) 13.119 18.832 ( -8.020 -11.644 -3.695) 14.613 19.196 ( 8.012 0.821 -0.199) 8.056 19.943 ( -3.252 0.594 -4.102) 5.268 20.719 ( 21.644 3.637 7.946) 23.342 22.828 ( -20.842 -18.480 0.227) 27.856 23.444 ( 8.938 10.005 -6.755) 15.021 24.095 ( -16.815 7.861 -6.354) 19.619 ======================= Grid point 770 (386/432) ======================= q-point: (-0.18 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.087 1.487 11.342) 11.439 2.999 ( -2.788 2.733 11.812) 12.440 3.058 ( -4.493 -1.268 -2.003) 5.081 3.325 ( 1.584 -1.700 -5.712) 6.166 3.471 ( -1.957 -1.501 -9.090) 9.419 3.679 ( 2.971 -0.881 -7.772) 8.367 4.258 ( 6.420 4.909 4.872) 9.436 4.637 ( -6.925 9.757 -2.344) 12.192 5.782 ( 4.004 -0.807 10.717) 11.469 6.130 ( 7.858 -1.172 -3.949) 8.872 6.412 ( -3.811 -1.862 8.782) 9.753 6.571 ( 7.935 -3.082 -3.999) 9.405 6.732 ( 0.641 0.069 3.584) 3.641 6.979 ( 0.592 1.795 -5.383) 5.705 7.644 ( 7.295 -16.371 21.964) 28.348 8.538 ( -8.425 -27.620 -2.991) 29.031 9.466 ( 1.099 8.032 7.497) 11.042 9.652 ( 5.348 8.942 4.293) 11.269 9.925 ( -4.740 3.887 0.865) 6.190 10.124 ( 3.151 8.245 0.222) 8.829 10.485 ( -15.680 3.927 13.477) 21.045 11.053 ( 9.771 -2.852 -3.420) 10.738 11.142 ( 1.918 2.763 -8.354) 9.005 12.047 ( -17.784 -5.443 -12.025) 22.148 13.192 ( 9.849 10.452 -0.138) 14.362 13.332 ( -2.931 10.582 6.560) 12.791 13.668 ( -5.457 1.465 6.306) 8.467 14.063 ( 3.963 -6.762 -14.654) 16.618 17.860 ( 12.309 -0.287 -1.510) 12.404 18.579 ( -14.992 -0.781 -14.104) 20.598 19.435 ( 15.192 -6.389 2.633) 16.690 19.813 ( -10.814 -1.339 -1.094) 10.951 21.159 ( 29.440 2.169 13.089) 32.291 22.557 ( -29.555 -10.443 -10.364) 33.015 23.466 ( 12.296 5.229 -3.302) 13.764 23.780 ( -14.594 6.261 -2.005) 16.006 ======================= Grid point 771 (387/432) ======================= q-point: (-0.09 0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 2.107 -0.094 9.715) 9.941 2.927 ( -1.610 -0.086 -7.188) 7.367 3.160 ( -0.392 -3.098 10.320) 10.782 3.304 ( 0.099 -4.074 -6.432) 7.614 3.396 ( -0.711 1.938 3.308) 3.899 3.598 ( 1.082 0.993 -11.040) 11.137 4.343 ( 2.471 5.879 4.141) 7.604 4.431 ( -1.969 9.746 -4.357) 10.855 5.951 ( 1.362 -1.222 10.003) 10.169 6.122 ( -0.614 -0.918 -6.624) 6.716 6.457 ( -7.870 -2.017 9.469) 12.476 6.612 ( 3.400 -1.507 -4.950) 6.192 6.776 ( -1.841 0.519 5.349) 5.681 6.919 ( 3.883 1.766 -7.384) 8.528 8.163 ( 9.914 -15.754 23.695) 30.132 8.542 ( -11.471 -23.920 -13.037) 29.559 9.537 ( 1.343 5.950 7.519) 9.682 9.635 ( 1.032 7.565 -3.655) 8.465 9.755 ( -13.110 14.559 13.385) 23.727 10.075 ( 8.523 2.144 -15.049) 17.427 10.513 ( -7.540 1.752 21.433) 22.788 10.932 ( 5.651 0.268 -19.318) 20.129 11.400 ( 14.870 -1.997 15.145) 21.318 11.721 ( -13.859 -6.708 -15.616) 21.930 13.196 ( -6.300 11.720 1.874) 13.437 13.232 ( 9.122 10.097 -2.046) 13.760 13.741 ( -3.161 -3.745 11.441) 12.446 14.001 ( 3.250 -5.028 -13.649) 14.904 18.040 ( 13.349 0.890 4.228) 14.031 18.219 ( -14.421 1.463 -12.963) 19.446 19.655 ( -8.016 -4.441 3.335) 9.752 19.704 ( 6.933 -2.648 -1.425) 7.557 21.715 ( 29.774 -0.204 16.596) 34.087 22.059 ( -29.314 -3.288 -16.587) 33.842 23.556 ( -10.677 3.349 0.315) 11.194 23.573 ( 10.655 2.445 -1.524) 11.037 ======================= Grid point 774 (388/432) ======================= q-point: ( 0.18 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.563 -0.000 -12.388) 12.401 2.699 ( 4.026 0.000 -15.973) 16.472 3.091 ( -10.277 -0.000 8.661) 13.440 3.386 ( -5.154 -0.000 2.321) 5.652 3.496 ( 6.889 0.000 2.976) 7.504 4.117 ( 1.783 0.000 14.622) 14.730 4.357 ( 10.735 0.000 3.739) 11.367 4.599 ( -1.162 -0.000 -0.642) 1.328 5.364 ( -27.667 -0.000 -2.956) 27.824 5.464 ( -6.570 -0.000 -0.976) 6.643 6.156 ( -10.879 -0.000 4.508) 11.776 6.419 ( -2.876 -0.000 -0.916) 3.018 6.823 ( -0.706 -0.000 -0.631) 0.947 6.863 ( -5.518 -0.000 -3.201) 6.379 7.423 ( 3.568 0.000 -11.303) 11.853 8.756 ( -15.209 -0.000 -7.609) 17.006 9.173 ( -8.369 -0.000 -13.268) 15.687 9.362 ( -8.428 -0.000 15.895) 17.991 9.403 ( 8.028 0.000 -2.481) 8.403 10.232 ( -9.655 -0.000 18.127) 20.538 11.134 ( 23.422 0.000 -6.271) 24.247 11.211 ( 22.702 0.000 -28.226) 36.223 11.600 ( 4.869 0.000 8.991) 10.225 12.595 ( 2.049 0.000 0.638) 2.146 12.970 ( -5.600 -0.000 -9.208) 10.777 13.186 ( 11.497 0.000 4.642) 12.399 13.688 ( 5.865 0.000 -7.508) 9.527 14.077 ( -8.811 -0.000 19.544) 21.438 17.562 ( -10.270 -0.000 11.274) 15.251 18.835 ( -11.012 -0.000 -12.197) 16.433 19.445 ( 12.615 0.000 18.006) 21.985 19.608 ( -12.521 -0.000 3.687) 13.052 20.528 ( 4.086 0.000 -14.224) 14.800 22.859 ( -15.898 -0.000 1.918) 16.013 23.997 ( 18.593 0.000 14.667) 23.682 24.106 ( 9.081 0.000 -1.908) 9.279 ======================= Grid point 775 (389/432) ======================= q-point: ( 0.27 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 8.164 -0.586 -5.699) 9.973 2.640 ( 9.795 -5.466 -13.701) 17.707 3.084 ( -10.459 -0.581 14.330) 17.751 3.336 ( -6.118 -2.437 0.278) 6.591 3.583 ( 1.821 -0.514 1.645) 2.507 4.246 ( -1.050 10.276 13.374) 16.898 4.530 ( 8.884 2.924 2.772) 9.754 4.595 ( -5.753 -8.950 0.448) 10.649 4.996 ( -21.972 -1.848 -0.318) 22.052 5.430 ( -1.432 -2.018 2.578) 3.573 6.088 ( -6.941 3.046 6.396) 9.918 6.360 ( -0.775 0.338 -5.458) 5.523 6.673 ( -8.577 5.785 -3.622) 10.962 6.823 ( -6.236 -7.345 -0.669) 9.659 7.397 ( 5.920 0.715 -5.735) 8.273 8.413 ( -16.139 3.374 -10.870) 19.749 9.012 ( -4.713 -10.160 -7.664) 13.571 9.402 ( -1.364 8.319 12.548) 15.117 9.568 ( 5.274 -7.422 4.634) 10.217 10.278 ( -11.832 2.799 16.571) 20.553 11.133 ( 24.663 2.366 -33.045) 41.301 11.364 ( 17.791 11.144 0.839) 21.010 11.678 ( 1.365 -0.917 -0.720) 1.795 12.650 ( 2.705 -0.088 2.995) 4.037 12.831 ( -4.437 -4.295 -5.078) 7.995 13.323 ( 4.514 -1.137 -0.289) 4.664 13.704 ( 5.713 -4.911 -6.688) 10.074 14.220 ( -4.387 0.403 19.571) 20.061 17.588 ( -10.086 -0.293 16.588) 19.416 18.536 ( -7.545 -0.143 -18.715) 20.179 19.555 ( -1.434 -0.679 2.718) 3.147 19.738 ( 7.810 6.320 12.328) 15.903 20.449 ( 2.210 -4.409 -9.454) 10.663 22.689 ( -15.842 -3.218 2.622) 16.377 24.080 ( 8.463 17.615 -0.159) 19.543 24.425 ( 8.295 -14.239 8.595) 18.586 ======================= Grid point 776 (390/432) ======================= q-point: ( 0.36 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 12.251 4.508 3.100) 13.417 2.705 ( 10.231 -7.336 -9.020) 15.487 3.172 ( -5.854 -1.955 16.716) 17.819 3.287 ( -4.585 -4.735 -0.982) 6.664 3.591 ( -3.995 -2.466 0.414) 4.713 4.229 ( -4.463 12.233 7.943) 15.253 4.418 ( -17.046 2.151 -4.107) 17.665 4.632 ( -0.982 -6.309 2.485) 6.851 4.993 ( 3.363 -4.874 10.052) 11.667 5.513 ( 4.567 -2.910 3.931) 6.691 6.081 ( -2.140 5.273 8.439) 10.179 6.258 ( 0.364 1.207 -9.719) 9.800 6.513 ( -6.022 2.500 0.341) 6.529 6.781 ( -10.977 -8.934 1.073) 14.194 7.392 ( 2.535 1.629 -3.905) 4.932 8.091 ( -13.716 -2.781 -9.081) 16.684 9.026 ( -0.758 -14.249 -2.508) 14.488 9.480 ( -0.426 8.322 14.624) 16.831 9.735 ( 6.382 -2.353 3.235) 7.532 10.274 ( -12.577 3.662 15.527) 20.314 11.048 ( 23.165 4.040 -30.813) 38.761 11.354 ( 2.147 18.732 -2.291) 18.993 11.727 ( 10.305 0.664 -3.898) 11.037 12.707 ( -0.377 -1.041 2.801) 3.012 12.826 ( -0.835 -6.622 1.308) 6.802 13.338 ( -1.314 -0.593 -0.390) 1.493 13.751 ( 4.648 -7.647 -6.801) 11.239 14.369 ( -2.565 1.552 14.131) 14.446 17.698 ( -7.590 -2.217 20.272) 21.760 18.228 ( -3.349 -1.992 -22.439) 22.775 19.635 ( 9.398 -0.097 0.630) 9.420 19.801 ( 1.705 13.423 3.066) 13.874 20.447 ( -0.547 -10.041 -4.208) 10.901 22.577 ( -13.871 -6.481 4.661) 16.004 24.006 ( 5.662 17.177 -2.728) 18.290 24.655 ( -0.517 -10.312 4.173) 11.137 ======================= Grid point 777 (391/432) ======================= q-point: ( 0.45 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 8.782 8.195 9.123) 15.083 2.777 ( 2.847 -1.462 -0.090) 3.202 3.252 ( -5.336 -7.680 1.381) 9.453 3.335 ( 2.915 -0.726 5.848) 6.574 3.545 ( -7.801 -6.385 -0.949) 10.125 4.137 ( -1.705 13.203 -3.377) 13.734 4.160 ( -14.029 -0.361 4.308) 14.680 4.704 ( -1.302 -6.761 3.497) 7.723 5.226 ( 6.553 -3.532 10.491) 12.864 5.659 ( 8.014 -1.280 3.172) 8.714 6.083 ( 4.289 6.396 -2.497) 8.095 6.232 ( 0.295 -0.949 6.963) 7.034 6.483 ( -0.119 -0.558 1.922) 2.005 6.724 ( -14.207 -11.365 3.749) 18.576 7.340 ( 0.157 3.068 -4.526) 5.471 7.924 ( -9.800 -11.585 -3.622) 15.600 9.151 ( 0.697 -15.485 1.960) 15.624 9.578 ( -0.962 8.931 15.935) 18.293 9.835 ( 7.080 3.776 -0.293) 8.029 10.258 ( -12.211 3.446 15.327) 19.897 10.961 ( 17.798 5.871 -23.112) 29.755 11.148 ( -0.262 13.211 -9.309) 16.163 11.786 ( 10.411 8.078 -4.500) 13.925 12.694 ( -6.442 -0.247 0.402) 6.459 12.928 ( 2.435 -5.193 5.321) 7.824 13.323 ( -2.816 -1.186 1.937) 3.618 13.782 ( 3.261 -6.879 -7.551) 10.722 14.428 ( -4.415 4.065 7.520) 9.620 17.799 ( -0.929 0.616 -3.118) 3.311 18.089 ( -0.822 -11.269 3.085) 11.712 19.651 ( -3.368 11.495 -3.838) 12.578 19.812 ( 15.321 2.942 -0.338) 15.604 20.476 ( -0.706 -8.770 -3.393) 9.430 22.544 ( -11.963 -9.824 6.504) 16.791 23.887 ( 3.733 15.792 -4.331) 16.795 24.673 ( -8.651 -5.583 -2.050) 10.498 ======================= Grid point 778 (392/432) ======================= q-point: (-0.45 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -1.813 9.903 10.421) 14.490 2.840 ( 0.995 0.854 8.098) 8.204 3.245 ( -5.065 -6.748 -2.802) 8.891 3.400 ( 1.621 0.636 -0.663) 1.863 3.480 ( -7.592 -9.719 -3.601) 12.848 3.961 ( 2.429 11.636 -7.338) 13.969 4.125 ( -3.793 2.741 8.899) 10.054 4.788 ( -1.958 -7.031 3.812) 8.234 5.434 ( 5.820 -1.691 7.810) 9.886 5.812 ( 9.569 -0.360 2.843) 9.989 6.116 ( 10.406 2.616 -0.680) 10.751 6.352 ( -0.332 -0.807 9.778) 9.817 6.545 ( 4.321 -2.720 0.666) 5.149 6.731 ( -11.227 -14.416 9.839) 20.752 7.249 ( -1.246 3.781 -4.753) 6.200 7.925 ( -8.409 -18.357 0.960) 20.214 9.344 ( 2.475 -14.848 5.997) 16.203 9.659 ( -3.360 8.486 15.319) 17.832 9.844 ( 6.684 11.039 -2.788) 13.203 10.261 ( -10.437 3.117 15.802) 19.192 10.872 ( 0.903 10.429 -2.827) 10.843 10.969 ( 13.727 1.673 -23.811) 27.535 11.732 ( 5.004 13.056 -8.016) 16.117 12.553 ( -12.156 0.754 -2.935) 12.528 13.074 ( 4.456 -2.127 6.207) 7.931 13.337 ( -1.596 -0.894 3.916) 4.323 13.782 ( 2.787 -5.033 -7.467) 9.426 14.357 ( -7.480 6.780 1.611) 10.223 17.703 ( 6.735 -1.420 -13.974) 15.577 18.354 ( 0.093 -14.798 16.867) 22.439 19.434 ( -5.785 9.712 -6.358) 12.969 19.958 ( 8.625 0.428 -2.458) 8.979 20.530 ( 10.142 -2.660 -2.790) 10.850 22.562 ( -12.922 -13.140 6.765) 19.631 23.749 ( 3.210 13.805 -5.465) 15.190 24.493 ( -14.251 -0.515 -6.843) 15.817 ======================= Grid point 779 (393/432) ======================= q-point: (-0.36 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -4.701 6.773 10.259) 13.161 2.949 ( -2.412 1.475 12.604) 12.917 3.155 ( -7.313 -2.554 -4.463) 8.939 3.355 ( -1.651 -3.196 -7.212) 8.059 3.454 ( -1.336 -6.886 -4.110) 8.130 3.824 ( 4.808 10.446 -8.617) 14.370 4.212 ( 3.639 3.652 9.710) 10.994 4.829 ( -4.001 -2.299 2.051) 5.049 5.603 ( 5.525 -0.265 8.062) 9.777 5.977 ( 9.825 -2.118 1.318) 10.137 6.263 ( 10.615 -0.630 1.415) 10.728 6.446 ( -1.026 -1.264 7.164) 7.347 6.633 ( 5.557 -2.278 -0.047) 6.006 6.919 ( -2.404 -16.730 13.233) 21.466 7.148 ( -2.686 2.824 -1.797) 4.292 8.001 ( -9.551 -23.321 1.112) 25.226 9.589 ( 4.827 -11.799 7.095) 14.589 9.682 ( -6.984 6.304 9.964) 13.704 9.801 ( 7.238 15.487 2.615) 17.294 10.298 ( -8.508 3.683 16.470) 18.900 10.741 ( -7.122 7.757 0.971) 10.576 10.938 ( 20.419 -0.716 -20.858) 29.198 11.514 ( -1.362 15.511 -11.566) 19.396 12.311 ( -16.092 -0.271 -6.834) 17.485 13.218 ( 6.398 1.088 6.022) 8.853 13.383 ( 1.352 2.040 5.014) 5.580 13.771 ( 1.451 -3.556 -5.578) 6.773 14.172 ( -9.096 6.928 -3.974) 12.104 17.716 ( 11.309 -2.225 -6.979) 13.474 18.622 ( -3.308 -12.601 8.170) 15.377 19.244 ( -0.300 4.722 -4.969) 6.861 19.930 ( -6.257 -2.239 -4.976) 8.302 20.772 ( 26.568 2.452 2.578) 26.805 22.546 ( -18.510 -14.695 3.654) 23.914 23.628 ( 5.179 11.502 -5.796) 13.882 24.190 ( -16.117 3.524 -7.571) 18.152 ======================= Grid point 780 (394/432) ======================= q-point: (-0.27 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -2.206 3.011 10.341) 10.994 3.029 ( -5.587 -0.356 -3.011) 6.357 3.034 ( -3.825 -0.658 9.038) 9.836 3.273 ( -0.920 -4.238 -8.552) 9.589 3.444 ( -1.025 -1.235 -1.066) 1.927 3.718 ( 5.182 5.279 -9.714) 12.210 4.351 ( 7.292 5.564 7.982) 12.159 4.759 ( -5.724 4.211 -1.596) 7.283 5.773 ( 4.106 -0.280 10.106) 10.912 6.101 ( 6.131 -2.647 -2.647) 7.183 6.387 ( 0.857 -0.695 5.378) 5.490 6.518 ( 4.058 -3.035 -1.206) 5.209 6.731 ( 4.584 -0.122 3.447) 5.736 7.002 ( -2.862 0.295 -3.295) 4.374 7.334 ( 5.802 -18.812 17.361) 26.248 8.076 ( -10.624 -26.925 -2.556) 29.058 9.617 ( -3.734 9.126 7.074) 12.135 9.770 ( 1.551 -2.833 0.874) 3.346 9.876 ( 5.782 5.943 11.138) 13.885 10.338 ( -4.477 7.974 10.883) 14.215 10.578 ( -10.842 7.446 3.398) 13.585 10.998 ( 14.770 -3.460 -15.287) 21.536 11.264 ( 5.198 13.236 -7.388) 16.025 11.986 ( -18.848 -1.526 -11.019) 21.886 13.358 ( 8.428 5.614 5.817) 11.678 13.445 ( 2.649 5.091 5.723) 8.104 13.729 ( -5.271 2.578 -0.032) 5.868 13.960 ( -3.955 -2.198 -11.362) 12.230 17.854 ( 13.305 -0.451 0.390) 13.319 18.561 ( -12.793 -1.422 -7.828) 15.065 19.324 ( 11.171 -6.230 2.396) 13.014 19.775 ( -11.346 -3.289 -4.208) 12.540 21.199 ( 31.477 2.440 8.396) 32.669 22.367 ( -26.243 -11.517 -4.233) 28.970 23.579 ( 8.825 7.861 -3.930) 12.454 23.879 ( -14.709 5.206 -4.301) 16.185 ======================= Grid point 781 (395/432) ======================= q-point: (-0.18 0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 1.128 0.556 9.509) 9.592 2.927 ( -0.959 0.138 -6.861) 6.929 3.103 ( -2.952 -3.223 7.457) 8.643 3.225 ( 0.797 -4.994 -6.110) 7.931 3.433 ( -2.848 2.512 5.408) 6.609 3.632 ( 4.826 2.934 -11.378) 12.703 4.466 ( 2.226 7.396 7.111) 10.499 4.596 ( -1.147 8.864 -5.581) 10.538 5.932 ( 0.860 -0.957 9.963) 10.046 6.102 ( -0.504 -1.520 -6.439) 6.636 6.424 ( -7.773 -1.527 7.903) 11.190 6.574 ( 7.703 -2.661 -6.438) 10.386 6.793 ( -6.413 1.297 7.671) 10.082 6.942 ( 4.853 0.676 -6.401) 8.061 7.830 ( 10.531 -22.573 18.002) 30.733 8.100 ( -11.363 -27.458 -8.696) 30.963 9.619 ( -2.296 4.642 9.611) 10.918 9.747 ( -1.232 4.450 -3.118) 5.572 9.985 ( -3.373 10.109 10.494) 14.956 10.196 ( 0.403 12.756 -7.950) 15.036 10.545 ( -7.845 1.966 18.420) 20.117 10.938 ( 8.842 0.409 -18.927) 20.895 11.394 ( 19.276 2.337 7.193) 20.707 11.620 ( -17.385 -3.788 -13.516) 22.344 13.424 ( -6.417 12.805 2.981) 14.630 13.444 ( 10.538 14.737 0.657) 18.130 13.659 ( -6.426 -5.100 8.115) 11.539 13.881 ( 3.678 -8.995 -12.675) 15.972 18.061 ( 13.300 1.664 5.891) 14.641 18.252 ( -13.624 2.415 -11.875) 18.234 19.552 ( -1.476 -7.554 4.494) 8.913 19.642 ( 1.219 -4.549 -4.071) 6.225 21.710 ( 25.229 -0.452 13.505) 28.620 21.984 ( -23.553 -5.358 -12.979) 27.420 23.629 ( -3.889 4.195 -0.809) 5.777 23.632 ( 2.269 5.256 -1.257) 5.861 ======================= Grid point 782 (396/432) ======================= q-point: (-0.09 0.18 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.734 1.032 -8.399) 8.494 2.899 ( 4.640 -0.518 7.589) 8.910 3.178 ( -2.215 -3.646 3.106) 5.277 3.224 ( 1.370 -3.775 -1.701) 4.361 3.464 ( -2.295 -0.261 3.963) 4.587 3.538 ( 3.757 4.042 -4.914) 7.389 4.329 ( -8.726 8.314 -1.691) 12.171 4.599 ( 10.109 9.716 0.795) 14.043 5.980 ( -6.254 -1.171 -7.648) 9.949 6.018 ( -5.101 -1.303 6.473) 8.343 6.407 ( -10.129 -3.006 6.377) 12.341 6.599 ( 1.437 0.693 -2.795) 3.218 6.741 ( -6.846 -2.548 1.830) 7.530 6.955 ( 6.324 3.442 -3.252) 7.901 8.024 ( -11.535 -22.553 -15.181) 29.533 8.354 ( 9.390 -22.842 15.367) 29.087 9.557 ( -9.420 8.498 -1.638) 12.791 9.701 ( 0.921 6.323 1.166) 6.495 9.825 ( -12.932 7.365 10.620) 18.283 10.133 ( 8.378 11.446 -5.805) 15.327 10.692 ( -0.293 -2.048 12.528) 12.697 10.845 ( 8.841 3.603 -10.412) 14.126 11.344 ( -4.683 -7.761 -15.539) 17.990 11.782 ( 20.287 -2.407 12.961) 24.194 13.204 ( -8.391 13.251 -0.958) 15.713 13.425 ( 6.698 13.200 -2.993) 15.102 13.773 ( -5.295 -7.529 10.929) 14.288 13.865 ( 5.259 -3.224 -9.563) 11.380 17.928 ( -13.640 1.692 -7.944) 15.875 18.324 ( 14.670 2.057 9.969) 17.856 19.455 ( -14.819 -5.063 0.753) 15.679 19.804 ( 9.112 -3.406 0.118) 9.729 21.450 ( -28.428 -3.237 -14.681) 32.159 22.306 ( 31.391 -2.153 13.295) 34.158 23.433 ( -11.622 4.037 0.201) 12.305 23.751 ( 12.252 3.422 0.786) 12.746 ======================= Grid point 786 (397/432) ======================= q-point: ( 0.27 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 16.428 0.000 3.475) 16.792 2.618 ( 12.337 0.000 -10.906) 16.466 3.162 ( -5.793 -0.000 17.983) 18.893 3.241 ( -6.767 -0.000 -0.043) 6.767 3.574 ( -5.106 -0.000 0.929) 5.190 4.363 ( -17.282 -0.000 7.485) 18.833 4.452 ( -7.438 -0.000 -0.899) 7.492 4.528 ( -2.406 -0.000 0.558) 2.470 4.959 ( 5.412 0.000 11.272) 12.504 5.483 ( 4.428 0.000 4.301) 6.173 6.128 ( -3.147 -0.000 9.757) 10.252 6.271 ( 1.609 0.000 -11.289) 11.403 6.545 ( -8.259 -0.000 -0.853) 8.302 6.693 ( -10.068 -0.000 1.227) 10.143 7.405 ( 1.360 0.000 -2.126) 2.523 8.071 ( -15.934 -0.000 -12.398) 20.189 8.893 ( 0.939 0.000 -1.976) 2.188 9.576 ( -5.403 -0.000 17.519) 18.334 9.697 ( 12.954 0.000 1.814) 13.081 10.303 ( -15.404 -0.000 17.078) 22.999 11.074 ( 25.954 0.000 -35.488) 43.965 11.584 ( -3.674 -0.000 -8.087) 8.882 11.691 ( 18.551 0.000 1.789) 18.637 12.708 ( -1.182 -0.000 3.690) 3.875 12.746 ( -0.236 -0.000 0.390) 0.455 13.333 ( -1.234 -0.000 -0.346) 1.282 13.680 ( 5.281 0.000 -6.172) 8.122 14.384 ( -3.293 -0.000 15.961) 16.297 17.679 ( -8.996 -0.000 21.421) 23.233 18.210 ( -4.247 -0.000 -23.736) 24.113 19.634 ( 9.952 0.000 0.796) 9.984 19.953 ( 1.816 0.000 7.451) 7.669 20.325 ( -0.561 -0.000 -8.839) 8.856 22.522 ( -14.236 -0.000 5.021) 15.096 24.199 ( 3.967 0.000 -5.151) 6.502 24.522 ( 0.766 0.000 7.395) 7.434 ======================= Grid point 787 (398/432) ======================= q-point: ( 0.36 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 12.045 4.503 2.429) 13.086 2.727 ( 10.967 -3.699 -0.860) 11.606 3.163 ( -6.535 -2.501 0.186) 7.000 3.323 ( -1.361 -0.501 14.816) 14.887 3.483 ( -9.844 -1.610 -0.092) 9.975 4.147 ( -15.205 -0.382 1.361) 15.271 4.327 ( -3.229 7.820 0.226) 8.463 4.594 ( -3.045 -5.549 4.901) 8.005 5.192 ( 7.217 -0.592 11.721) 13.777 5.625 ( 7.557 -1.800 4.483) 8.969 6.165 ( 3.743 2.521 -7.920) 9.116 6.231 ( -0.309 0.562 10.742) 10.761 6.483 ( -1.437 0.330 1.304) 1.968 6.583 ( -13.414 -4.728 3.434) 14.631 7.382 ( -1.926 1.686 -0.200) 2.567 7.773 ( -12.481 -5.412 -9.108) 16.372 8.961 ( 4.138 -6.113 2.461) 7.781 9.692 ( -5.305 3.729 17.774) 18.920 9.878 ( 12.337 1.337 0.503) 12.420 10.286 ( -17.166 0.542 17.813) 24.744 11.000 ( 25.085 0.591 -34.231) 42.443 11.373 ( -3.603 9.080 -11.633) 15.190 11.905 ( 15.390 4.599 -1.199) 16.107 12.685 ( -6.844 -0.467 0.967) 6.928 12.833 ( 3.395 -4.512 6.048) 8.274 13.302 ( -3.679 -0.815 0.960) 3.889 13.693 ( 4.677 -2.970 -5.498) 7.805 14.478 ( -5.509 1.587 10.782) 12.211 17.828 ( -4.147 2.796 10.083) 11.255 17.934 ( -1.485 -6.777 -9.868) 12.063 19.770 ( 7.997 1.929 -3.133) 8.802 19.935 ( 0.431 10.378 0.760) 10.415 20.299 ( 3.538 -10.308 -5.565) 12.237 22.435 ( -12.049 -3.198 6.778) 14.190 24.119 ( 1.389 9.884 -5.734) 11.511 24.561 ( -7.286 -6.123 0.825) 9.553 ======================= Grid point 788 (399/432) ======================= q-point: ( 0.45 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.358 5.397 7.087) 8.915 2.838 ( 6.582 -0.438 1.662) 6.803 3.122 ( -4.581 -6.300 -1.351) 7.906 3.345 ( -11.320 -4.461 -1.233) 12.230 3.437 ( -1.284 1.244 5.019) 5.328 4.059 ( -0.310 1.432 -0.381) 1.514 4.255 ( 0.310 10.643 3.870) 11.329 4.650 ( -4.353 -8.613 4.640) 10.708 5.407 ( 5.969 -1.178 9.475) 11.260 5.786 ( 6.920 -2.370 3.398) 8.065 6.164 ( 8.029 1.954 -2.024) 8.508 6.350 ( -0.378 0.442 9.796) 9.813 6.516 ( 3.204 -1.466 0.479) 3.556 6.542 ( -9.055 -6.572 9.455) 14.649 7.311 ( -3.456 3.918 -1.909) 5.562 7.648 ( -10.245 -14.138 -2.287) 17.609 9.144 ( 6.204 -8.269 6.962) 12.463 9.775 ( -7.500 5.101 17.005) 19.273 9.995 ( 11.239 6.217 -1.314) 12.911 10.273 ( -16.522 -0.773 18.402) 24.742 10.938 ( 23.379 0.206 -29.997) 38.032 11.103 ( -3.209 10.494 -11.997) 16.259 11.969 ( 10.780 13.074 -5.245) 17.738 12.555 ( -12.480 -0.531 -2.578) 12.754 13.008 ( 5.255 -5.036 6.391) 9.686 13.293 ( -2.717 -3.355 2.324) 4.903 13.714 ( 4.183 -2.474 -4.965) 6.948 14.454 ( -9.473 4.248 6.113) 12.048 17.688 ( 6.184 -0.399 -16.401) 17.533 18.150 ( -2.504 -8.929 22.015) 23.888 19.610 ( -7.656 10.439 -6.943) 14.690 19.945 ( 0.308 -2.153 -2.506) 3.318 20.461 ( 20.517 -4.677 -3.966) 21.414 22.400 ( -12.372 -6.176 6.919) 15.462 23.967 ( -0.067 11.408 -5.748) 12.775 24.449 ( -12.523 -4.158 -4.934) 14.088 ======================= Grid point 789 (400/432) ======================= q-point: (-0.45 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -7.401 5.129 7.522) 11.733 2.958 ( 0.521 0.333 7.510) 7.536 3.099 ( -4.108 -4.121 -2.756) 6.438 3.241 ( -4.648 -7.452 -4.612) 9.920 3.425 ( -1.688 0.867 -0.556) 1.978 3.994 ( 3.753 8.685 -9.630) 13.501 4.292 ( 2.832 6.234 11.469) 13.357 4.734 ( -2.368 -8.118 3.785) 9.265 5.592 ( 5.799 -1.002 8.263) 10.145 5.920 ( 4.482 -4.309 2.508) 6.704 6.272 ( 10.612 0.716 0.198) 10.638 6.427 ( -2.102 -1.131 6.799) 7.205 6.607 ( 6.441 -1.104 1.941) 6.817 6.678 ( -0.852 -9.799 12.179) 15.655 7.201 ( -5.015 3.194 -1.874) 6.234 7.646 ( -10.563 -18.636 -0.078) 21.422 9.405 ( 7.331 -8.471 9.773) 14.866 9.796 ( -8.764 6.220 13.258) 17.067 10.036 ( 5.063 11.076 3.403) 12.645 10.306 ( -10.296 -1.786 15.879) 19.009 10.863 ( -2.410 7.454 -9.694) 12.464 10.921 ( 21.730 -1.003 -24.417) 32.702 11.835 ( 3.287 20.155 -9.066) 22.343 12.315 ( -16.230 0.631 -6.106) 17.352 13.188 ( 5.249 -4.121 5.701) 8.777 13.353 ( 2.663 -5.807 2.024) 6.701 13.723 ( 3.833 -0.403 -4.763) 6.127 14.304 ( -13.418 7.233 2.325) 15.419 17.682 ( 11.877 -1.764 -6.804) 13.802 18.435 ( -1.757 -9.280 16.258) 18.802 19.346 ( -6.711 7.091 -7.356) 12.224 19.868 ( -8.529 -5.027 -5.688) 11.418 20.797 ( 32.011 0.661 -1.018) 32.034 22.350 ( -16.753 -8.635 4.986) 19.496 23.813 ( 0.689 10.171 -5.288) 11.485 24.216 ( -14.233 -0.270 -7.266) 15.983 ======================= Grid point 790 (401/432) ======================= q-point: (-0.36 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -4.812 2.827 9.112) 10.686 2.997 ( -1.887 -2.163 -3.602) 4.606 3.028 ( -6.257 -1.167 5.447) 8.377 3.211 ( -0.662 -2.452 -5.955) 6.474 3.427 ( 1.303 -0.994 2.375) 2.885 3.833 ( 1.752 7.681 -10.783) 13.355 4.434 ( 5.714 4.345 9.738) 12.098 4.772 ( -2.420 -2.278 -0.379) 3.345 5.766 ( 4.435 -0.907 8.827) 9.920 6.030 ( 2.511 -5.885 0.260) 6.404 6.392 ( 6.153 0.758 1.159) 6.307 6.476 ( 0.186 -1.840 1.910) 2.659 6.728 ( 6.059 -0.165 3.617) 7.058 6.922 ( 2.181 -10.758 6.081) 12.549 7.129 ( -2.536 -3.264 5.946) 7.241 7.664 ( -10.427 -21.554 -2.658) 24.090 9.659 ( 6.051 -6.219 6.482) 10.830 9.754 ( -8.674 6.834 9.351) 14.470 10.056 ( -0.666 10.804 12.101) 16.236 10.389 ( -3.913 -0.021 12.116) 12.732 10.689 ( -3.075 5.503 -5.839) 8.593 10.946 ( 18.398 -2.525 -20.202) 27.441 11.573 ( 3.099 21.622 -8.224) 23.340 11.994 ( -17.524 2.227 -9.149) 19.894 13.330 ( -0.474 -5.345 7.636) 9.333 13.510 ( 11.920 -4.447 0.009) 12.722 13.708 ( 3.461 2.382 -4.720) 6.319 14.052 ( -15.530 9.173 -0.803) 18.055 17.846 ( 14.610 -0.532 2.397) 14.815 18.531 ( -8.921 -2.189 0.180) 9.188 19.244 ( 3.252 -3.044 0.231) 4.460 19.706 ( -10.444 -4.740 -6.848) 13.358 21.235 ( 34.309 1.695 3.280) 34.508 22.193 ( -23.826 -8.876 -0.266) 25.427 23.712 ( 3.890 7.662 -3.700) 9.356 23.948 ( -12.989 3.054 -5.327) 14.368 ======================= Grid point 791 (402/432) ======================= q-point: (-0.27 0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -0.569 0.868 9.015) 9.075 2.929 ( 0.605 -0.108 -6.037) 6.068 3.060 ( -2.360 -1.926 4.696) 5.597 3.150 ( -0.185 -3.613 -5.114) 6.265 3.480 ( -2.601 3.078 7.533) 8.543 3.689 ( 4.044 3.658 -11.635) 12.850 4.562 ( 0.554 3.828 8.288) 9.146 4.707 ( 1.738 4.251 -5.843) 7.432 5.917 ( 0.989 -1.188 9.026) 9.157 6.060 ( -1.340 -3.907 -4.319) 5.976 6.415 ( -6.604 0.481 5.166) 8.399 6.531 ( 8.269 -2.404 -5.347) 10.137 6.812 ( -6.116 0.849 7.350) 9.600 6.937 ( 3.139 -1.337 -4.520) 5.663 7.458 ( 10.417 -20.384 13.729) 26.693 7.666 ( -9.549 -23.240 -7.232) 26.146 9.695 ( -7.872 4.292 8.420) 12.300 9.784 ( 3.371 0.699 -0.313) 3.457 10.122 ( -4.331 6.847 16.961) 18.796 10.392 ( -2.326 8.092 -6.269) 10.497 10.583 ( -7.136 2.789 10.948) 13.363 10.942 ( 14.318 -0.097 -19.202) 23.953 11.501 ( 14.929 10.525 0.923) 18.289 11.629 ( -15.271 5.128 -10.242) 19.089 13.464 ( -2.493 -7.384 9.931) 12.624 13.650 ( -0.882 -4.339 -5.665) 7.190 13.697 ( 8.899 13.989 2.398) 16.752 13.765 ( -5.917 3.779 -5.981) 9.223 18.093 ( 14.030 1.964 7.888) 16.215 18.296 ( -13.234 2.664 -10.460) 17.077 19.415 ( 1.355 -8.454 6.218) 10.581 19.560 ( -1.119 -5.052 -7.266) 8.920 21.701 ( 18.441 -0.573 8.987) 20.522 21.889 ( -14.972 -5.781 -9.197) 18.497 23.701 ( -1.298 4.357 0.073) 4.547 23.727 ( -2.150 5.634 -2.355) 6.473 ======================= Grid point 792 (403/432) ======================= q-point: (-0.18 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 2.885 2.203 -8.112) 8.887 2.888 ( 3.008 -0.831 7.641) 8.254 3.116 ( -0.676 -3.346 6.164) 7.046 3.164 ( 2.858 -3.337 -3.000) 5.320 3.467 ( -6.246 1.042 4.364) 7.691 3.618 ( 5.793 4.867 -6.158) 9.755 4.463 ( -9.019 7.047 -2.198) 11.654 4.735 ( 10.220 5.791 -0.082) 11.747 5.956 ( -6.860 -1.671 -5.953) 9.235 6.002 ( -4.132 -0.779 5.302) 6.767 6.366 ( -9.809 -1.662 4.717) 11.010 6.589 ( 7.588 -1.605 -5.812) 9.692 6.722 ( -13.766 0.021 4.473) 14.475 6.990 ( 6.939 0.467 -2.000) 7.236 7.628 ( -8.792 -23.003 -11.437) 27.152 7.949 ( 12.427 -24.320 10.449) 29.242 9.663 ( -6.178 3.170 4.219) 8.125 9.754 ( -2.226 3.883 1.178) 4.628 10.041 ( -13.533 14.811 -0.382) 20.066 10.279 ( 3.317 4.756 4.199) 7.159 10.648 ( -5.975 -3.530 9.353) 11.647 10.920 ( 14.758 4.312 -12.298) 19.688 11.295 ( -7.774 4.341 -10.171) 13.518 11.773 ( 21.295 1.748 8.704) 23.071 13.433 ( -11.198 13.040 -1.736) 17.276 13.586 ( 0.236 1.679 -7.061) 7.262 13.618 ( -5.021 -10.301 10.437) 15.500 13.864 ( 14.980 6.476 -2.171) 16.464 17.961 ( -14.512 2.108 -9.281) 17.354 18.365 ( 14.256 2.771 9.652) 17.438 19.366 ( -12.188 -5.045 -0.563) 13.203 19.723 ( 12.490 -6.239 0.662) 13.977 21.388 ( -31.118 -3.892 -9.510) 32.770 22.256 ( 31.784 -3.756 6.026) 32.568 23.525 ( -10.689 6.763 1.279) 12.713 23.811 ( 10.927 3.473 2.269) 11.688 ======================= Grid point 793 (404/432) ======================= q-point: (-0.09 0.27 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 2.849 3.885 -10.814) 11.839 3.034 ( 1.624 -1.101 8.950) 9.163 3.143 ( -0.153 0.464 -6.315) 6.333 3.231 ( 0.838 -1.905 5.938) 6.292 3.458 ( 0.988 -2.011 1.915) 2.947 3.607 ( 2.128 3.138 2.025) 4.299 4.272 ( -3.922 6.167 -4.040) 8.351 4.798 ( 7.515 7.765 0.039) 10.806 5.773 ( -10.082 -1.182 -7.235) 12.465 5.952 ( -12.102 0.198 3.100) 12.494 6.296 ( -11.556 -3.366 3.011) 12.407 6.559 ( -8.316 1.563 1.129) 8.537 6.666 ( 1.935 -4.690 -2.537) 5.672 7.031 ( 4.545 3.472 -1.291) 5.863 7.559 ( -5.963 -18.987 -14.236) 24.469 8.387 ( 7.964 -24.022 5.610) 25.922 9.498 ( -10.400 11.889 -0.454) 15.802 9.729 ( -4.189 10.736 -3.784) 12.129 9.816 ( -6.281 -5.732 8.445) 11.984 10.230 ( -6.053 13.998 -2.214) 15.411 10.677 ( -0.425 -6.906 0.909) 6.979 11.036 ( 13.078 0.667 3.639) 13.592 11.163 ( 9.028 0.316 -11.514) 14.635 12.161 ( 19.610 -2.116 9.999) 22.113 13.187 ( -6.683 10.931 -2.208) 13.001 13.473 ( -0.948 4.761 -7.243) 8.719 13.740 ( -4.375 -7.318 7.314) 11.233 13.948 ( 9.506 8.730 0.586) 12.920 17.700 ( -12.836 -0.264 -2.832) 13.147 18.653 ( 13.612 0.079 11.398) 17.754 19.239 ( -10.291 -2.988 -2.272) 10.955 19.878 ( 2.142 -0.622 2.477) 3.334 20.933 ( -21.099 -3.444 -13.044) 25.043 22.770 ( 27.482 -9.434 6.491) 29.772 23.343 ( -11.297 8.377 2.448) 14.275 23.977 ( 12.851 4.550 5.031) 14.531 ======================= Grid point 798 (405/432) ======================= q-point: ( 0.36 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 13.159 0.000 -0.521) 13.169 2.833 ( -2.917 -0.000 5.524) 6.247 3.069 ( -4.668 -0.000 -1.699) 4.968 3.306 ( -13.587 -0.000 0.199) 13.588 3.450 ( -2.509 -0.000 7.799) 8.192 4.067 ( 0.269 0.000 1.159) 1.189 4.378 ( 3.963 0.000 2.935) 4.931 4.548 ( -8.989 -0.000 5.007) 10.290 5.398 ( 5.932 0.000 9.645) 11.323 5.759 ( 5.834 0.000 3.877) 7.004 6.178 ( 6.453 0.000 -2.019) 6.762 6.351 ( -1.407 -0.000 7.498) 7.629 6.487 ( -7.261 -0.000 10.211) 12.530 6.516 ( 3.906 0.000 1.402) 4.150 7.367 ( -4.431 -0.000 2.465) 5.071 7.500 ( -10.732 -0.000 -6.806) 12.708 9.075 ( 8.064 0.000 7.212) 10.818 9.820 ( -8.710 -0.000 18.074) 20.063 10.047 ( 13.228 0.000 -2.015) 13.380 10.261 ( -19.447 -0.000 19.470) 27.519 10.938 ( 24.504 0.000 -32.138) 40.414 11.205 ( -2.845 -0.000 -15.280) 15.542 12.093 ( 13.303 0.000 -4.294) 13.979 12.546 ( -12.365 -0.000 -2.316) 12.580 12.954 ( 5.733 0.000 6.351) 8.556 13.259 ( -4.441 -0.000 1.932) 4.843 13.696 ( 5.003 0.000 -3.193) 5.935 14.490 ( -9.857 -0.000 7.316) 12.275 17.685 ( 6.073 0.000 -18.330) 19.309 18.072 ( -3.461 -0.000 24.960) 25.198 19.723 ( -7.489 -0.000 -7.604) 10.673 19.908 ( -7.155 -0.000 -2.506) 7.581 20.414 ( 27.634 0.000 -3.899) 27.908 22.350 ( -11.951 -0.000 6.784) 13.742 24.080 ( -1.834 -0.000 -6.775) 7.019 24.397 ( -11.500 -0.000 -3.271) 11.956 ======================= Grid point 799 (406/432) ======================= q-point: ( 0.45 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -9.454 1.798 6.199) 11.447 2.977 ( 3.836 2.092 2.491) 5.029 3.027 ( 2.164 -3.917 -0.790) 4.544 3.150 ( -8.173 -2.992 -1.617) 8.853 3.443 ( -4.744 0.774 0.794) 4.872 4.088 ( 5.394 2.599 -7.788) 9.823 4.423 ( -1.110 9.089 9.526) 13.213 4.583 ( -0.577 -9.483 5.662) 11.060 5.576 ( 5.663 -0.632 8.032) 9.848 5.853 ( 1.310 -2.777 2.848) 4.188 6.272 ( 7.468 -0.361 1.497) 7.626 6.399 ( -0.760 -1.543 5.236) 5.511 6.595 ( 1.429 0.222 10.991) 11.086 6.612 ( 6.287 -0.629 3.040) 7.011 7.263 ( -7.352 4.852 -1.442) 8.926 7.394 ( -8.904 -11.172 -0.510) 14.295 9.312 ( 9.612 -2.757 10.699) 14.644 9.876 ( -11.751 2.778 16.396) 20.362 10.165 ( 7.606 4.852 1.177) 9.099 10.257 ( -12.636 -3.392 16.070) 20.722 10.906 ( 23.202 -0.418 -27.538) 36.012 10.978 ( -2.410 4.465 -13.616) 14.531 12.104 ( 5.327 9.863 -8.406) 14.011 12.324 ( -14.961 0.152 -5.030) 15.784 13.113 ( 8.377 -3.384 2.543) 9.386 13.249 ( -2.889 -4.327 2.364) 5.715 13.738 ( 5.937 0.963 -1.480) 6.194 14.389 ( -14.348 2.643 4.442) 15.250 17.660 ( 12.175 -0.672 -6.813) 13.967 18.326 ( -1.445 -3.399 20.560) 20.889 19.457 ( -12.118 4.978 -8.694) 15.723 19.781 ( -8.124 -4.196 -5.925) 10.895 20.801 ( 35.558 -0.046 -2.502) 35.646 22.256 ( -15.744 -2.701 5.069) 16.759 23.948 ( -3.168 5.039 -5.403) 8.039 24.194 ( -11.919 -1.587 -6.418) 13.630 ======================= Grid point 800 (407/432) ======================= q-point: ( 0.55 0.36 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -6.350 1.602 7.940) 10.292 2.967 ( -1.721 -1.067 -3.113) 3.714 2.999 ( -4.333 -2.058 1.295) 4.969 3.194 ( 1.795 -0.059 -1.287) 2.209 3.410 ( 1.589 -0.905 2.974) 3.491 3.949 ( -1.905 5.490 -11.457) 12.846 4.499 ( 0.705 3.432 11.330) 11.859 4.708 ( 3.560 -4.388 0.435) 5.667 5.741 ( 4.325 -1.804 7.327) 8.697 5.923 ( -0.365 -5.918 2.043) 6.271 6.389 ( 7.192 -1.022 0.508) 7.282 6.457 ( -0.841 -0.810 3.117) 3.328 6.728 ( 6.143 0.183 3.835) 7.244 6.778 ( 5.013 -4.570 8.655) 10.996 7.128 ( -8.140 1.321 1.312) 8.350 7.374 ( -7.248 -12.829 -2.638) 14.969 9.581 ( 8.832 -3.062 9.650) 13.435 9.845 ( -13.331 3.943 11.857) 18.271 10.194 ( -10.272 5.582 16.889) 20.540 10.367 ( 6.565 -2.030 2.954) 7.479 10.774 ( -2.834 4.394 -8.665) 10.121 10.915 ( 20.759 -1.229 -22.452) 30.603 11.909 ( 0.555 16.423 -9.629) 19.046 12.047 ( -14.534 3.465 -6.525) 16.304 13.237 ( -1.429 -4.680 4.832) 6.877 13.347 ( 8.022 -10.785 -3.415) 13.868 13.800 ( 9.173 5.247 0.226) 10.571 14.184 ( -17.324 5.770 2.235) 18.396 17.838 ( 15.722 -0.387 3.872) 16.196 18.494 ( -5.103 -1.914 7.109) 8.957 19.222 ( -6.126 0.071 -2.598) 6.655 19.628 ( -7.624 -4.103 -8.447) 12.096 21.254 ( 36.858 0.667 -0.487) 36.867 22.080 ( -22.691 -4.544 1.549) 23.193 23.821 ( -1.386 4.998 -3.039) 6.011 23.981 ( -9.828 0.955 -5.753) 11.428 ======================= Grid point 801 (408/432) ======================= q-point: (-0.36 0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -1.262 0.979 7.829) 7.990 2.917 ( 1.512 -1.266 -4.539) 4.949 3.036 ( 1.538 -1.008 3.051) 3.563 3.113 ( -3.975 -0.873 -4.674) 6.198 3.531 ( 1.782 2.802 8.964) 9.559 3.744 ( -1.949 2.664 -11.245) 11.720 4.599 ( -2.072 0.990 8.540) 8.843 4.747 ( 6.069 0.959 -5.778) 8.435 5.881 ( 1.309 -3.035 6.881) 7.634 5.970 ( -2.262 -6.309 -1.141) 6.798 6.432 ( -5.044 1.135 2.250) 5.638 6.494 ( 6.978 -2.020 -2.859) 7.807 6.820 ( -3.481 0.190 5.962) 6.907 6.897 ( -0.553 -3.274 -1.012) 3.471 7.194 ( 7.157 -10.448 9.446) 15.799 7.356 ( -3.929 -13.363 -7.003) 15.590 9.756 ( -12.259 2.896 7.715) 14.771 9.789 ( 7.857 0.149 4.442) 9.027 10.211 ( -13.529 3.689 19.814) 24.274 10.463 ( 4.389 1.666 -3.247) 5.708 10.629 ( -7.716 2.125 0.766) 8.040 10.937 ( 18.981 -0.354 -20.098) 27.646 11.715 ( -0.972 13.395 -2.102) 13.594 11.771 ( -1.794 10.603 -6.974) 12.817 13.317 ( -5.117 -8.816 7.391) 12.592 13.473 ( 5.262 -11.740 -7.638) 14.961 13.903 ( 9.838 9.921 1.772) 14.084 13.914 ( -11.758 8.634 0.602) 14.600 18.123 ( 15.340 1.547 9.614) 18.170 18.337 ( -13.303 2.149 -9.224) 16.330 19.285 ( 1.502 -6.650 7.960) 10.481 19.482 ( -1.325 -3.992 -9.948) 10.801 21.694 ( 10.014 -0.164 4.145) 10.839 21.799 ( -4.886 -4.766 -6.078) 9.139 23.767 ( -2.596 3.311 1.105) 4.350 23.811 ( -2.213 4.175 -2.988) 5.591 ======================= Grid point 802 (409/432) ======================= q-point: (-0.27 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 1.853 -0.424 7.368) 7.609 2.895 ( 4.981 1.804 -8.594) 10.096 3.060 ( 0.753 -3.645 2.150) 4.299 3.127 ( 2.736 -0.753 1.908) 3.420 3.496 ( -8.797 2.017 0.171) 9.026 3.692 ( 5.809 3.936 -0.630) 7.045 4.556 ( -7.241 4.146 -1.185) 8.428 4.788 ( 9.292 0.835 -3.030) 9.809 5.917 ( -6.316 -3.254 -4.842) 8.598 5.974 ( -2.851 -3.101 4.899) 6.461 6.357 ( -9.154 0.449 2.763) 9.572 6.559 ( 7.234 -1.841 -5.019) 8.995 6.730 ( -13.856 0.636 3.450) 14.293 6.949 ( 1.487 -5.904 0.374) 6.100 7.325 ( -1.053 -11.344 -10.144) 15.254 7.576 ( 13.880 -19.463 6.970) 24.900 9.678 ( -8.650 -0.121 5.194) 10.090 9.849 ( 0.375 6.382 -0.053) 6.393 10.246 ( -11.898 5.700 14.110) 19.317 10.317 ( -1.710 3.925 -8.305) 9.343 10.579 ( -13.926 -4.157 9.899) 17.584 10.961 ( 20.350 1.080 -18.825) 27.743 11.492 ( -5.309 16.723 -0.484) 17.552 11.843 ( 18.874 6.341 4.281) 20.366 13.408 ( -9.286 -12.004 6.721) 16.599 13.506 ( 1.266 -8.264 -7.422) 11.180 13.649 ( -10.509 10.364 1.429) 14.829 14.044 ( 17.159 11.698 0.676) 20.778 17.994 ( -15.670 1.784 -10.942) 19.195 18.412 ( 13.632 2.616 9.348) 16.735 19.300 ( -6.984 -2.536 -1.770) 7.638 19.602 ( 13.699 -7.988 1.644) 15.942 21.327 ( -32.994 -3.310 -5.581) 33.626 22.188 ( 30.995 -4.051 -0.049) 31.259 23.648 ( -7.557 7.519 2.590) 10.971 23.859 ( 8.413 2.080 3.164) 9.226 ======================= Grid point 803 (410/432) ======================= q-point: (-0.18 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 3.742 3.197 -8.857) 10.132 3.008 ( 2.410 -1.737 8.011) 8.544 3.137 ( -0.165 -1.510 -3.545) 3.857 3.201 ( 5.388 -1.524 6.416) 8.516 3.408 ( -3.352 -2.058 1.028) 4.065 3.711 ( 3.236 7.428 1.407) 8.224 4.378 ( -4.532 6.308 -6.332) 10.021 4.865 ( 6.635 0.179 -1.741) 6.862 5.758 ( -9.482 -0.762 -6.604) 11.581 5.958 ( -9.087 -0.241 2.753) 9.498 6.254 ( -11.333 -1.215 1.675) 11.520 6.579 ( -10.782 0.760 1.683) 10.939 6.600 ( 2.990 -3.100 -4.131) 5.968 7.026 ( 1.787 -7.341 -0.461) 7.569 7.283 ( 0.632 -9.324 -11.301) 14.665 7.991 ( 12.446 -22.637 2.962) 26.002 9.669 ( -3.459 -4.476 4.009) 6.933 9.709 ( -9.660 8.557 -1.060) 12.949 9.968 ( -8.771 14.652 -6.448) 18.253 10.363 ( -5.726 2.000 5.823) 8.408 10.544 ( -12.564 -8.019 10.325) 18.132 11.024 ( 20.671 -0.987 -16.502) 26.468 11.337 ( 2.138 18.212 3.821) 18.731 12.153 ( 20.012 1.043 7.925) 21.550 13.317 ( -10.093 2.009 -2.938) 10.702 13.487 ( -0.705 -2.468 -5.720) 6.269 13.612 ( -4.509 -4.716 9.498) 11.523 14.149 ( 14.716 13.223 -0.789) 19.799 17.694 ( -14.245 -0.494 -5.043) 15.119 18.648 ( 10.752 -0.728 5.713) 12.197 19.218 ( -3.039 0.852 -1.803) 3.635 19.841 ( 7.948 -3.961 3.457) 9.529 20.872 ( -27.161 -3.617 -7.658) 28.450 22.601 ( 24.877 -9.905 -1.560) 26.822 23.516 ( -7.340 11.517 4.860) 14.496 24.036 ( 12.005 2.321 7.169) 14.174 ======================= Grid point 804 (411/432) ======================= q-point: (-0.09 -0.64 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 2.227 6.496 -11.258) 13.187 3.016 ( -5.328 -1.394 -6.903) 8.830 3.139 ( -3.728 3.415 10.239) 11.419 3.329 ( 5.004 -0.709 3.457) 6.123 3.514 ( 4.221 -6.543 7.448) 10.774 3.691 ( 2.915 7.512 0.097) 8.059 4.245 ( 2.869 3.102 -6.037) 7.369 4.902 ( 3.199 1.807 -2.003) 4.184 5.556 ( -11.587 0.617 -4.305) 12.377 5.809 ( -13.628 3.076 -0.012) 13.971 6.120 ( -13.187 -3.321 0.256) 13.601 6.472 ( -8.791 -0.201 3.196) 9.357 6.622 ( 2.532 -4.833 -5.041) 7.428 7.087 ( 2.257 -0.451 -0.489) 2.352 7.259 ( 3.548 -10.962 -11.147) 16.032 8.306 ( 5.485 -20.972 -1.371) 21.721 9.456 ( -14.253 12.954 1.169) 19.295 9.717 ( -2.303 10.012 -5.221) 11.524 9.769 ( 0.610 -12.178 4.157) 12.883 10.169 ( -17.079 12.180 1.878) 21.061 10.656 ( -1.729 -8.413 8.502) 12.085 11.101 ( 21.941 -1.459 -21.435) 30.708 11.362 ( 4.817 7.042 10.859) 13.810 12.464 ( 14.928 -0.102 4.781) 15.675 13.159 ( -3.409 4.568 -3.297) 6.585 13.411 ( -0.115 2.802 -5.479) 6.155 13.711 ( -5.255 -6.777 9.316) 12.662 14.184 ( 9.823 14.238 -0.535) 17.306 17.538 ( -11.170 -2.340 4.510) 12.271 18.816 ( 4.364 -8.774 -3.312) 10.344 19.186 ( 3.538 6.156 3.297) 7.828 19.875 ( -10.525 2.830 3.050) 11.318 20.594 ( -6.546 -4.767 -6.452) 10.353 22.944 ( 15.290 -15.588 -5.371) 22.486 23.388 ( -5.005 13.373 7.591) 16.172 24.275 ( 13.488 4.566 9.458) 17.095 ======================= Grid point 810 (412/432) ======================= q-point: ( 0.45 0.45 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -6.523 -0.000 7.277) 9.773 2.965 ( -6.995 -0.000 -1.627) 7.182 2.972 ( 1.469 0.000 -0.975) 1.763 3.195 ( 3.654 0.000 0.370) 3.673 3.402 ( 1.030 0.000 2.864) 3.043 3.998 ( -3.420 -0.000 -11.714) 12.203 4.535 ( -5.683 -0.000 13.290) 14.454 4.662 ( 10.183 0.000 -0.479) 10.195 5.722 ( 4.116 0.000 6.593) 7.772 5.867 ( -1.304 -0.000 2.642) 2.947 6.377 ( 6.047 0.000 1.651) 6.268 6.448 ( 0.460 0.000 2.795) 2.833 6.730 ( 6.119 0.000 3.330) 6.966 6.750 ( 4.229 0.000 8.494) 9.489 7.149 ( -11.086 -0.000 0.829) 11.116 7.255 ( -3.347 -0.000 -2.592) 4.234 9.556 ( 9.740 0.000 10.598) 14.394 9.879 ( -15.682 -0.000 13.085) 20.424 10.243 ( -19.562 -0.000 23.740) 30.761 10.343 ( 17.412 0.000 -5.716) 18.326 10.815 ( -4.191 -0.000 -9.908) 10.758 10.905 ( 21.833 0.000 -23.282) 31.918 12.059 ( -1.101 -0.000 -10.093) 10.153 12.081 ( -12.317 -0.000 -5.477) 13.480 13.212 ( -4.706 -0.000 3.718) 5.998 13.225 ( 10.392 0.000 -2.978) 10.810 13.846 ( 10.461 0.000 0.948) 10.504 14.233 ( -17.707 -0.000 3.052) 17.968 17.834 ( 16.151 0.000 4.408) 16.742 18.477 ( -3.639 -0.000 9.775) 10.430 19.227 ( -10.895 -0.000 -3.807) 11.541 19.589 ( -5.404 -0.000 -8.950) 10.455 21.260 ( 37.864 0.000 -1.819) 37.908 22.042 ( -22.387 -0.000 1.977) 22.474 23.866 ( -4.455 -0.000 -2.532) 5.124 23.987 ( -7.491 -0.000 -6.049) 9.628 ======================= Grid point 811 (413/432) ======================= q-point: (-0.45 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 0.159 0.718 6.183) 6.226 2.895 ( -0.023 -1.021 -2.747) 2.931 3.025 ( 4.228 -0.335 2.978) 5.182 3.110 ( -6.296 0.109 -5.268) 8.210 3.566 ( 7.387 1.169 9.463) 12.062 3.774 ( -8.847 0.857 -10.507) 13.763 4.606 ( -3.385 0.119 8.463) 9.116 4.753 ( 8.765 0.048 -5.625) 10.415 5.832 ( 1.317 -1.983 5.026) 5.561 5.881 ( -2.478 -3.328 0.786) 4.223 6.444 ( -3.424 0.393 0.613) 3.501 6.465 ( 5.056 -1.224 -0.473) 5.223 6.820 ( -1.112 -0.215 4.811) 4.942 6.852 ( -2.622 -1.396 1.847) 3.498 7.097 ( 0.990 -2.242 5.799) 6.296 7.216 ( 2.970 -3.848 -6.709) 8.285 9.788 ( -1.332 0.714 7.408) 7.560 9.792 ( -3.340 0.365 7.521) 8.238 10.249 ( -19.845 1.043 21.636) 29.377 10.477 ( 11.314 0.286 -5.955) 12.789 10.650 ( -10.361 0.496 -1.751) 10.519 10.933 ( 21.116 -0.117 -20.686) 29.560 11.890 ( -6.284 6.160 -2.128) 9.053 11.926 ( 3.014 5.903 -6.271) 9.124 13.204 ( -6.359 -3.841 5.006) 8.958 13.313 ( 6.467 -5.923 -5.649) 10.431 14.014 ( -17.264 3.198 2.044) 17.677 14.019 ( 14.852 3.519 1.630) 15.350 18.141 ( 16.380 0.577 10.621) 19.530 18.363 ( -13.450 0.845 -8.537) 15.953 19.206 ( 0.767 -2.529 9.014) 9.394 19.434 ( -0.861 -1.534 -11.399) 11.534 21.700 ( -3.796 0.981 0.012) 3.920 21.734 ( 9.873 -2.842 -3.342) 10.804 23.806 ( -2.797 1.233 1.766) 3.530 23.860 ( -2.680 1.533 -3.225) 4.465 ======================= Grid point 812 (414/432) ======================= q-point: (-0.36 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 3.113 0.963 4.447) 5.513 2.915 ( 6.902 0.530 -6.581) 9.552 3.000 ( -2.118 -3.205 -0.045) 3.842 3.129 ( 3.116 0.544 4.403) 5.421 3.521 ( -10.037 0.816 -5.608) 11.527 3.749 ( 4.922 2.733 7.063) 9.032 4.607 ( -4.920 2.085 1.315) 5.503 4.782 ( 8.332 -0.915 -7.481) 11.235 5.853 ( -5.165 -3.819 -3.018) 7.097 5.906 ( -1.783 -4.174 3.602) 5.794 6.371 ( -7.719 0.921 1.133) 7.856 6.525 ( 5.021 -2.227 -3.267) 6.391 6.740 ( -12.792 0.527 1.914) 12.945 6.842 ( -5.549 -4.681 1.307) 7.377 7.233 ( 8.290 -1.753 -7.956) 11.623 7.322 ( 13.063 -10.499 3.958) 17.221 9.675 ( -11.141 -0.127 2.701) 11.464 9.950 ( 5.970 5.362 2.268) 8.338 10.222 ( -14.419 -3.757 14.371) 20.701 10.434 ( -2.442 5.848 -7.630) 9.919 10.523 ( -17.488 -2.398 10.472) 20.524 10.972 ( 21.534 0.439 -20.457) 29.705 11.769 ( -1.271 14.457 3.820) 15.007 11.957 ( 14.127 5.879 1.243) 15.352 13.222 ( -9.135 -9.115 5.813) 14.153 13.365 ( 3.125 -7.510 -5.564) 9.855 13.788 ( -13.371 5.841 1.703) 14.691 14.204 ( 17.037 6.835 0.593) 18.367 18.018 ( -16.713 0.965 -12.363) 20.811 18.448 ( 12.934 1.575 9.087) 15.885 19.289 ( 0.133 1.331 -3.201) 3.469 19.468 ( 11.621 -7.623 3.298) 14.285 21.283 ( -33.767 -1.874 -3.566) 34.007 22.130 ( 29.981 -2.598 -3.487) 30.295 23.764 ( -3.397 6.041 3.136) 7.607 23.875 ( 5.037 -0.311 3.858) 6.352 ======================= Grid point 813 (415/432) ======================= q-point: (-0.27 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 0.190 1.455 -3.981) 4.243 2.985 ( 6.148 -0.929 2.440) 6.679 3.097 ( -0.097 -2.779 -1.063) 2.977 3.169 ( 4.336 -2.639 2.496) 5.657 3.406 ( -1.310 1.470 0.554) 2.045 3.830 ( 2.048 6.273 5.827) 8.804 4.479 ( -3.804 5.694 -6.429) 9.393 4.823 ( 5.530 -4.233 -5.248) 8.719 5.739 ( -7.521 -1.680 -5.835) 9.666 5.925 ( -6.027 -3.535 2.056) 7.283 6.260 ( -10.317 1.505 1.355) 10.514 6.557 ( 4.264 -2.605 -5.592) 7.499 6.585 ( -13.038 0.120 2.419) 13.261 6.829 ( -3.813 -10.675 -2.477) 11.604 7.256 ( 7.981 2.064 -6.743) 10.650 7.653 ( 14.743 -17.203 0.502) 22.662 9.567 ( -8.272 -5.050 -3.516) 10.309 9.873 ( -8.918 8.821 3.659) 13.066 10.196 ( -3.888 10.121 -10.681) 15.219 10.337 ( -2.262 -2.866 11.203) 11.783 10.442 ( -22.192 -3.767 17.181) 28.317 11.017 ( 21.356 0.137 -19.271) 28.766 11.676 ( -0.664 19.989 6.423) 21.006 12.188 ( 18.897 2.738 5.611) 19.901 13.231 ( -9.910 -9.303 2.589) 13.837 13.398 ( 0.901 -6.630 -3.688) 7.640 13.640 ( -6.442 4.757 3.716) 8.828 14.345 ( 15.492 9.539 -1.288) 18.238 17.685 ( -15.408 -0.497 -7.000) 16.931 18.631 ( 8.104 -1.134 -0.703) 8.213 19.270 ( 5.421 5.076 -0.684) 7.458 19.748 ( 11.312 -6.968 5.312) 14.309 20.819 ( -32.125 -2.650 -3.900) 32.469 22.458 ( 22.691 -6.878 -5.701) 24.387 23.705 ( -2.976 10.477 5.363) 12.140 24.052 ( 10.306 -0.435 8.343) 13.266 ======================= Grid point 814 (416/432) ======================= q-point: (-0.18 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.214 3.573 -5.418) 6.494 2.961 ( -10.112 -4.664 -3.252) 11.601 3.153 ( 4.363 -2.347 5.389) 7.320 3.346 ( 6.951 1.124 3.353) 7.799 3.421 ( 3.848 -1.364 2.588) 4.834 3.847 ( 3.003 9.172 3.336) 10.212 4.314 ( 1.292 5.174 -9.104) 10.551 4.862 ( 1.362 -5.464 -3.473) 6.616 5.574 ( -7.427 0.771 -5.767) 9.435 5.841 ( -10.963 0.102 0.051) 10.964 6.105 ( -12.145 1.732 -0.055) 12.268 6.465 ( -11.226 -0.623 4.958) 12.288 6.557 ( 3.093 -2.852 -7.747) 8.815 6.897 ( 3.521 -15.741 -4.422) 16.725 7.250 ( 5.985 4.689 -4.839) 9.013 7.967 ( 10.586 -19.192 -2.453) 22.055 9.469 ( -8.470 -10.710 -5.508) 14.723 9.750 ( -6.648 8.720 6.309) 12.651 9.918 ( -4.675 13.728 -8.373) 16.746 10.286 ( -21.741 2.794 13.311) 25.645 10.541 ( -0.496 -5.507 10.304) 11.694 11.083 ( 20.961 -0.447 -17.796) 27.500 11.575 ( -1.697 16.980 7.050) 18.464 12.473 ( 16.238 0.990 4.717) 16.938 13.176 ( -5.685 -3.019 -2.561) 6.928 13.405 ( -0.255 -3.343 -3.218) 4.647 13.630 ( -3.884 -1.754 7.431) 8.566 14.410 ( 12.150 11.879 -3.083) 17.270 17.499 ( -11.452 -2.138 3.745) 12.237 18.679 ( 5.454 -7.256 -11.449) 14.611 19.317 ( 7.408 9.385 4.123) 12.647 19.902 ( -4.549 0.124 3.229) 5.580 20.497 ( -13.818 -6.591 -1.028) 15.344 22.710 ( 16.158 -11.849 -7.684) 21.460 23.626 ( -3.782 14.252 6.477) 16.105 24.317 ( 12.931 0.499 10.207) 16.481 ======================= Grid point 815 (417/432) ======================= q-point: (-0.09 -0.55 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -7.610 6.293 -10.219) 14.210 2.862 ( -5.404 -4.404 -2.362) 7.360 3.241 ( -2.447 5.467 7.200) 9.365 3.384 ( 2.503 -2.081 0.069) 3.256 3.606 ( 5.243 -7.104 6.591) 11.019 3.837 ( 6.074 12.874 0.547) 14.246 4.266 ( 8.911 0.445 -5.665) 10.568 4.858 ( -3.427 -4.145 -2.274) 5.839 5.403 ( -7.685 3.450 -4.687) 9.640 5.669 ( -11.309 3.108 -0.203) 11.730 5.951 ( -10.233 -0.197 1.580) 10.356 6.403 ( -5.710 -0.613 1.228) 5.873 6.520 ( -2.208 -5.281 -4.866) 7.513 7.049 ( 7.067 -11.379 -3.764) 13.914 7.234 ( 6.110 3.897 -4.122) 8.337 8.173 ( 3.346 -16.350 -2.834) 16.928 9.351 ( -13.959 3.698 0.913) 14.470 9.703 ( 3.495 -2.733 -5.951) 7.423 9.752 ( -0.689 1.451 1.500) 2.198 10.094 ( -19.783 11.608 10.746) 25.329 10.675 ( -2.434 -4.729 8.751) 10.240 11.134 ( 19.917 1.110 -19.638) 27.993 11.546 ( -1.053 4.988 7.487) 9.058 12.662 ( 9.259 2.253 1.157) 9.599 13.089 ( -2.471 0.256 -5.458) 5.997 13.383 ( 0.011 -0.538 -2.318) 2.379 13.721 ( -1.973 -5.422 9.279) 10.927 14.396 ( 8.362 13.149 -3.794) 16.037 17.502 ( -6.895 -1.526 13.606) 15.330 18.635 ( 2.664 -9.530 -18.079) 20.609 19.392 ( 6.886 7.773 5.347) 11.680 19.741 ( -15.290 3.019 1.885) 15.698 20.522 ( 3.084 -5.188 1.372) 6.189 22.889 ( 8.601 -11.687 -7.857) 16.501 23.534 ( -2.669 12.133 6.052) 13.819 24.582 ( 11.187 2.078 9.265) 14.673 ======================= Grid point 822 (418/432) ======================= q-point: (-0.45 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 6.392 0.000 -3.048) 7.082 2.913 ( 7.774 0.000 3.448) 8.505 2.969 ( -6.324 -0.000 -3.417) 7.188 3.135 ( 3.172 0.000 4.951) 5.879 3.526 ( -10.532 -0.000 -7.939) 13.189 3.774 ( 4.690 0.000 10.223) 11.247 4.625 ( -3.969 -0.000 2.977) 4.962 4.772 ( 8.011 0.000 -9.942) 12.768 5.816 ( -4.670 -0.000 -2.013) 5.086 5.866 ( -1.340 -0.000 2.730) 3.042 6.380 ( -6.837 -0.000 0.369) 6.847 6.502 ( 3.305 0.000 -2.257) 4.002 6.745 ( -12.049 -0.000 0.797) 12.076 6.807 ( -6.419 -0.000 2.236) 6.797 7.226 ( 11.039 0.000 -6.528) 12.825 7.229 ( 11.720 0.000 2.051) 11.898 9.674 ( -12.032 -0.000 1.786) 12.164 10.005 ( 13.107 0.000 3.032) 13.453 10.179 ( -21.853 -0.000 12.806) 25.329 10.489 ( 1.082 0.000 -6.086) 6.182 10.497 ( -20.262 -0.000 11.135) 23.120 10.976 ( 21.775 0.000 -20.573) 29.956 11.910 ( 1.021 0.000 4.253) 4.374 12.004 ( 10.909 0.000 1.004) 10.955 13.140 ( -8.988 -0.000 4.875) 10.225 13.294 ( 3.542 0.000 -4.633) 5.832 13.838 ( -14.275 -0.000 2.006) 14.415 14.262 ( 16.956 0.000 0.493) 16.963 18.026 ( -17.136 -0.000 -12.924) 21.464 18.461 ( 12.599 0.000 8.963) 15.462 19.327 ( 7.009 0.000 -11.191) 13.205 19.376 ( 6.705 0.000 11.461) 13.278 21.267 ( -33.923 -0.000 -3.007) 34.056 22.108 ( 29.553 0.000 -4.527) 29.897 23.836 ( 0.109 0.000 0.541) 0.552 23.852 ( 1.853 0.000 6.828) 7.075 ======================= Grid point 823 (419/432) ======================= q-point: (-0.36 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -3.480 0.535 -0.447) 3.550 2.977 ( 9.608 -0.061 -1.955) 9.805 3.060 ( -0.218 -1.294 -0.602) 1.443 3.125 ( -0.005 -1.883 0.475) 1.942 3.433 ( 3.871 1.142 0.663) 4.090 3.907 ( 0.416 2.565 8.833) 9.208 4.558 ( -4.127 3.117 -3.462) 6.224 4.755 ( 6.538 -2.907 -10.343) 12.577 5.709 ( -6.293 -1.302 -4.894) 8.078 5.867 ( -3.973 -2.394 1.547) 4.890 6.283 ( -8.662 0.846 0.863) 8.746 6.507 ( 3.319 -2.421 -5.164) 6.598 6.588 ( -13.698 0.155 1.937) 13.835 6.736 ( -5.200 -1.517 -1.758) 5.695 7.300 ( 10.898 2.804 -4.769) 12.222 7.434 ( 14.613 -8.320 -2.429) 16.990 9.510 ( -10.558 -1.728 -6.376) 12.454 9.998 ( -15.779 5.560 8.332) 18.690 10.198 ( 10.924 -4.442 -6.774) 13.599 10.379 ( -17.825 2.677 14.284) 22.999 10.412 ( -13.333 0.480 9.684) 16.486 11.024 ( 20.708 0.431 -18.268) 27.618 11.942 ( -1.841 9.923 7.289) 12.449 12.221 ( 16.527 0.582 4.442) 17.123 13.099 ( -7.823 -4.700 3.842) 9.902 13.301 ( 1.968 -3.804 -3.035) 5.249 13.702 ( -8.871 2.117 2.457) 9.446 14.454 ( 15.499 3.350 -1.639) 15.941 17.679 ( -15.991 -0.203 -8.117) 17.934 18.616 ( 6.946 -0.524 -4.808) 8.464 19.367 ( 13.040 5.205 -1.482) 14.119 19.629 ( 10.027 -5.849 8.341) 14.294 20.788 ( -34.610 -0.959 -2.270) 34.698 22.379 ( 21.534 -2.415 -7.222) 22.841 23.846 ( 0.265 5.557 4.598) 7.217 24.028 ( 8.506 -1.916 9.570) 12.946 ======================= Grid point 824 (420/432) ======================= q-point: (-0.27 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -3.775 1.094 1.154) 4.097 2.877 ( -15.259 -4.556 -2.608) 16.137 3.104 ( 8.483 -2.391 -0.345) 8.820 3.311 ( 12.942 -2.645 1.977) 13.357 3.487 ( 4.904 5.212 0.172) 7.158 3.965 ( 1.445 4.606 6.060) 7.748 4.410 ( -0.505 5.798 -8.548) 10.341 4.759 ( 2.576 -5.891 -6.180) 8.918 5.571 ( -5.583 -0.786 -6.745) 8.791 5.820 ( -8.319 -1.949 0.178) 8.546 6.151 ( -10.089 2.709 -0.121) 10.447 6.456 ( -11.947 -0.319 5.116) 13.000 6.517 ( 4.006 -2.605 -7.546) 8.932 6.691 ( 0.859 -7.200 -3.910) 8.238 7.339 ( 8.661 5.869 -4.126) 11.246 7.678 ( 13.183 -14.832 -4.249) 20.294 9.309 ( -10.457 -6.993 -8.620) 15.249 9.874 ( -11.264 5.674 8.289) 15.092 10.112 ( -0.368 7.364 -12.622) 14.618 10.306 ( -26.351 0.450 23.143) 35.074 10.475 ( 3.147 -1.979 7.642) 8.498 11.093 ( 19.398 1.495 -13.564) 23.717 11.854 ( -7.173 14.156 6.174) 17.028 12.485 ( 15.781 0.054 3.907) 16.258 13.088 ( -4.629 -5.426 -0.167) 7.134 13.332 ( 1.192 -4.527 -1.965) 5.078 13.633 ( -5.063 1.052 3.677) 6.345 14.564 ( 12.746 6.282 -4.330) 14.854 17.470 ( -11.486 -1.231 3.128) 11.968 18.583 ( 6.436 -4.068 -17.277) 18.880 19.488 ( 11.351 10.370 4.311) 15.968 19.871 ( 4.212 -3.849 4.740) 7.417 20.392 ( -24.466 -5.195 1.301) 25.046 22.559 ( 15.655 -6.090 -8.755) 18.942 23.840 ( -1.285 10.543 6.526) 12.466 24.298 ( 12.125 -2.307 9.813) 15.768 ======================= Grid point 825 (421/432) ======================= q-point: (-0.18 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -14.348 -0.464 -3.819) 14.855 2.768 ( -9.723 -4.128 0.935) 10.604 3.228 ( 4.508 -4.117 2.103) 6.457 3.451 ( 3.917 7.308 -3.523) 9.009 3.515 ( 7.901 -3.582 2.087) 8.923 4.033 ( 7.238 8.758 4.872) 12.363 4.302 ( 6.926 4.094 -8.315) 11.570 4.767 ( -1.689 -5.869 -2.378) 6.554 5.424 ( -4.863 -0.551 -8.616) 9.909 5.695 ( -10.298 0.277 -0.603) 10.320 5.997 ( -9.594 4.236 2.219) 10.719 6.397 ( -7.022 0.019 3.995) 8.079 6.454 ( -1.452 -2.465 -6.756) 7.337 6.824 ( 10.614 -12.957 -3.665) 17.146 7.337 ( 6.635 7.239 -3.672) 10.484 7.907 ( 8.374 -15.351 -2.668) 17.688 9.210 ( -6.713 -13.492 -3.514) 15.474 9.765 ( -10.692 6.283 2.881) 12.732 9.879 ( -0.732 10.051 -8.795) 13.376 10.224 ( -23.719 4.866 22.414) 32.995 10.612 ( 2.981 -3.557 4.376) 6.379 11.178 ( 18.127 4.031 -11.312) 21.744 11.697 ( -8.510 11.546 4.659) 15.081 12.685 ( 9.885 0.373 1.204) 9.965 13.051 ( -2.883 -4.376 -4.874) 7.157 13.350 ( -0.309 -2.708 -1.276) 3.009 13.646 ( -2.374 -3.276 5.783) 7.058 14.581 ( 9.836 8.614 -7.065) 14.861 17.481 ( -5.104 -0.961 15.007) 15.880 18.483 ( 6.310 -7.905 -22.681) 24.834 19.567 ( 7.557 12.013 4.073) 14.765 19.791 ( -15.644 3.358 1.744) 16.095 20.388 ( 1.347 -10.774 4.585) 11.786 22.703 ( 12.844 -9.211 -8.997) 18.186 23.775 ( -3.866 14.816 6.367) 16.583 24.575 ( 10.717 -2.610 7.712) 13.459 ======================= Grid point 826 (422/432) ======================= q-point: (-0.09 -0.45 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -14.665 2.651 -5.684) 15.950 2.720 ( -10.527 -8.801 4.026) 14.300 3.308 ( 0.590 1.107 1.497) 1.953 3.404 ( 5.161 1.841 -4.151) 6.875 3.660 ( 3.706 -6.636 2.102) 7.886 4.045 ( 4.545 16.118 0.331) 16.750 4.362 ( 11.286 0.398 -1.455) 11.386 4.750 ( -3.346 -2.907 -1.138) 4.577 5.258 ( -5.197 -1.043 -8.119) 9.696 5.574 ( -6.135 0.865 0.394) 6.208 5.917 ( -5.124 3.982 7.006) 9.550 6.310 ( -1.247 -0.881 -8.361) 8.499 6.438 ( -4.113 -1.771 5.566) 7.144 7.024 ( 8.323 -10.566 -3.117) 13.807 7.312 ( 5.532 6.209 -4.345) 9.383 8.097 ( 4.570 -10.939 2.257) 12.068 9.202 ( -10.279 -4.025 1.940) 11.208 9.623 ( 1.375 -6.667 -6.129) 9.159 9.779 ( 0.062 3.657 -1.117) 3.825 10.103 ( -18.840 12.495 16.323) 27.884 10.704 ( -2.435 -2.564 6.322) 7.244 11.189 ( 13.164 7.438 -14.650) 21.053 11.604 ( -3.713 1.937 4.397) 6.073 12.758 ( 2.599 0.835 -1.024) 2.915 12.990 ( -0.717 -2.371 -5.659) 6.178 13.343 ( -2.504 -1.631 0.468) 3.025 13.753 ( -0.486 -7.387 6.871) 10.100 14.520 ( 7.373 9.596 -9.213) 15.209 17.654 ( -0.267 2.317 19.512) 19.651 18.364 ( 4.588 -8.651 -21.821) 23.917 19.577 ( 3.078 10.129 2.098) 10.792 19.627 ( -6.992 1.166 1.252) 7.199 20.540 ( 2.000 -7.026 2.806) 7.825 22.834 ( 9.609 -7.858 -7.032) 14.267 23.652 ( -5.151 13.708 4.530) 15.329 24.771 ( 5.135 -2.372 4.009) 6.933 ======================= Grid point 834 (423/432) ======================= q-point: (-0.36 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -17.749 -0.000 -2.064) 17.868 2.848 ( -5.420 -0.000 3.370) 6.382 3.084 ( 10.196 0.000 -2.890) 10.598 3.287 ( 13.607 0.000 1.675) 13.710 3.536 ( 7.608 0.000 -0.823) 7.652 4.002 ( 0.207 0.000 6.309) 6.313 4.472 ( -2.720 -0.000 -5.686) 6.303 4.699 ( 5.110 0.000 -9.111) 10.446 5.562 ( -5.210 -0.000 -6.674) 8.467 5.799 ( -6.886 -0.000 0.124) 6.887 6.175 ( -8.998 -0.000 -0.576) 9.017 6.455 ( -12.222 -0.000 5.203) 13.283 6.483 ( 5.300 0.000 -6.517) 8.399 6.645 ( -2.158 -0.000 -3.924) 4.478 7.432 ( 10.597 0.000 -0.442) 10.606 7.506 ( 13.356 0.000 -8.858) 16.026 9.250 ( -11.991 -0.000 -9.487) 15.290 9.926 ( -14.775 -0.000 10.311) 18.017 10.162 ( 5.702 0.000 -15.221) 16.254 10.309 ( -29.058 -0.000 27.686) 40.136 10.466 ( 4.409 0.000 3.809) 5.827 11.112 ( 18.363 0.000 -10.580) 21.193 11.985 ( -10.131 -0.000 6.182) 11.869 12.480 ( 15.089 0.000 3.772) 15.553 13.041 ( -2.238 -0.000 -0.736) 2.356 13.285 ( 1.602 0.000 -0.938) 1.857 13.644 ( -6.084 -0.000 2.609) 6.620 14.617 ( 12.859 0.000 -4.754) 13.710 17.460 ( -11.460 -0.000 2.882) 11.817 18.548 ( 6.811 0.000 -19.397) 20.558 19.605 ( 13.908 0.000 3.264) 14.286 19.811 ( 8.477 0.000 6.931) 10.950 20.346 ( -30.461 -0.000 1.470) 30.497 22.508 ( 15.359 0.000 -8.946) 17.774 23.939 ( -0.271 -0.000 6.791) 6.797 24.269 ( 11.848 0.000 9.375) 15.109 ======================= Grid point 835 (424/432) ======================= q-point: (-0.27 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -17.362 -3.682 1.848) 17.844 2.760 ( -13.655 0.467 0.811) 13.687 3.175 ( 7.094 -1.699 -1.307) 7.410 3.469 ( 10.197 -1.184 1.350) 10.353 3.561 ( 5.623 3.838 -7.666) 10.253 4.108 ( 8.747 1.234 4.801) 10.053 4.389 ( 4.058 4.496 -5.606) 8.253 4.683 ( 1.200 -3.427 -3.896) 5.326 5.410 ( -4.773 -0.515 -9.733) 10.852 5.688 ( -8.764 -0.633 -1.566) 8.925 6.051 ( -8.852 1.734 1.958) 9.230 6.402 ( -7.715 0.363 7.941) 11.078 6.434 ( -0.526 -0.276 -8.780) 8.800 6.665 ( 9.233 -5.138 -3.033) 10.993 7.473 ( 9.482 9.104 -5.997) 14.448 7.669 ( 10.881 -12.536 -1.436) 16.662 9.041 ( -9.042 -5.505 -5.253) 11.818 9.830 ( -13.252 1.836 5.171) 14.344 10.018 ( 0.906 4.785 -13.183) 14.054 10.277 ( -28.205 1.649 32.112) 42.771 10.560 ( 7.924 -2.032 -3.021) 8.720 11.249 ( 16.328 3.166 -3.445) 16.985 11.858 ( -13.045 5.817 3.848) 14.792 12.679 ( 9.914 -0.625 1.287) 10.017 12.982 ( -2.386 -2.702 -6.628) 7.545 13.310 ( 1.090 -1.607 0.024) 1.942 13.611 ( -4.089 -0.985 3.088) 5.218 14.678 ( 10.387 2.897 -8.588) 13.785 17.471 ( -3.953 -0.306 15.998) 16.482 18.389 ( 7.746 -2.971 -25.726) 27.031 19.718 ( 0.720 3.910 1.697) 4.323 19.902 ( -3.603 10.776 3.706) 11.952 20.178 ( -3.761 -13.051 6.030) 14.861 22.598 ( 13.432 -3.175 -9.215) 16.596 23.977 ( -2.587 7.607 7.805) 11.202 24.517 ( 10.357 -3.043 5.402) 12.071 ======================= Grid point 836 (425/432) ======================= q-point: (-0.18 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -18.869 0.503 -0.540) 18.884 2.565 ( -17.155 -8.010 4.090) 19.370 3.273 ( 5.122 -2.656 0.688) 5.810 3.471 ( 5.480 3.624 -11.968) 13.653 3.592 ( 4.807 -1.682 0.504) 5.118 4.278 ( 7.552 9.917 4.953) 13.413 4.386 ( 12.391 3.168 -3.561) 13.276 4.690 ( 0.294 -4.272 -2.032) 4.740 5.217 ( -6.227 -2.447 -11.886) 13.640 5.572 ( -6.251 -0.960 -1.780) 6.570 5.995 ( -5.747 3.909 9.073) 11.429 6.308 ( -0.702 0.586 -9.041) 9.087 6.431 ( -2.756 0.741 8.437) 8.907 6.837 ( 10.775 -9.874 -3.006) 14.921 7.429 ( 6.009 6.940 -7.095) 11.602 7.924 ( 10.131 -9.096 5.605) 14.724 9.004 ( -4.528 -13.020 0.205) 13.786 9.657 ( -12.566 4.406 -1.117) 13.363 9.848 ( 0.577 4.619 -8.681) 9.851 10.262 ( -22.655 6.896 27.410) 36.223 10.641 ( 4.651 -4.651 -1.919) 6.852 11.359 ( 12.734 10.441 -4.245) 17.005 11.669 ( -11.766 4.898 2.318) 12.954 12.756 ( 1.590 -0.377 -1.764) 2.404 12.911 ( -1.144 -6.409 -6.287) 9.051 13.324 ( -1.263 -0.612 0.713) 1.574 13.639 ( -2.210 -5.390 4.332) 7.260 14.644 ( 8.536 5.039 -12.581) 16.017 17.693 ( 3.066 2.114 22.069) 22.381 18.230 ( 7.208 -6.499 -24.422) 26.280 19.636 ( -7.253 0.371 0.404) 7.273 19.808 ( 1.475 15.967 1.880) 16.145 20.368 ( 1.849 -13.136 3.980) 13.849 22.711 ( 13.856 -5.684 -8.265) 17.106 23.911 ( -5.814 14.861 6.341) 17.172 24.692 ( 4.473 -6.273 0.843) 7.750 ======================= Grid point 837 (426/432) ======================= q-point: (-0.09 -0.36 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -14.186 -1.749 2.854) 14.576 2.550 ( -13.144 -11.952 10.015) 20.394 3.328 ( 3.312 0.524 -3.156) 4.605 3.438 ( 8.684 -0.818 -6.753) 11.031 3.637 ( -0.397 -4.391 -1.506) 4.659 4.195 ( 0.266 15.977 -3.576) 16.374 4.449 ( -5.349 5.182 0.676) 7.478 4.753 ( 8.749 -2.668 -1.624) 9.290 5.116 ( 3.829 -5.694 -4.265) 8.079 5.524 ( -0.098 -2.477 -1.159) 2.736 6.017 ( -2.188 6.422 9.277) 11.494 6.233 ( 1.925 0.076 -3.312) 3.831 6.500 ( 0.754 2.818 7.945) 8.463 6.999 ( 5.110 -9.306 -1.959) 10.796 7.346 ( 1.106 5.346 -6.727) 8.663 8.187 ( 8.165 -2.613 8.976) 12.412 9.092 ( -4.089 -8.596 5.516) 11.001 9.498 ( -2.296 -5.548 -5.036) 7.837 9.772 ( 2.032 -1.318 -4.481) 5.093 10.180 ( -16.593 14.502 17.273) 27.999 10.702 ( -3.635 -3.519 4.628) 6.857 11.222 ( -1.460 11.968 -9.835) 15.559 11.628 ( 1.641 0.570 2.244) 2.838 12.722 ( -3.468 -1.567 -2.365) 4.481 12.912 ( 1.564 -5.423 -2.945) 6.366 13.310 ( -4.056 -0.778 2.446) 4.800 13.729 ( -2.361 -9.306 4.560) 10.629 14.535 ( 7.131 5.912 -15.544) 18.095 17.893 ( 4.748 4.755 1.143) 6.816 18.209 ( 9.067 -5.295 -0.280) 10.504 19.611 ( 4.176 -0.970 -1.048) 4.414 19.678 ( -2.838 12.795 -2.215) 13.291 20.498 ( -1.891 -9.637 1.863) 9.996 22.855 ( 12.877 -4.824 -5.351) 14.756 23.735 ( -8.506 16.546 3.255) 18.887 24.746 ( -3.522 -7.894 -3.159) 9.203 ======================= Grid point 846 (427/432) ======================= q-point: (-0.27 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -16.376 -0.000 7.273) 17.919 2.500 ( -23.514 -0.000 -1.836) 23.586 3.249 ( 7.070 0.000 -0.435) 7.083 3.498 ( 4.366 0.000 -13.458) 14.149 3.586 ( 5.791 0.000 -0.812) 5.848 4.339 ( 14.752 0.000 6.388) 16.076 4.457 ( 8.003 0.000 -1.583) 8.158 4.632 ( 1.006 0.000 -5.066) 5.165 5.197 ( -7.530 -0.000 -12.389) 14.498 5.559 ( -5.809 -0.000 -3.041) 6.557 6.028 ( -5.732 -0.000 9.660) 11.233 6.316 ( -0.749 -0.000 -8.797) 8.829 6.445 ( -1.998 -0.000 9.704) 9.907 6.744 ( 10.495 0.000 -3.039) 10.926 7.503 ( 5.936 0.000 -11.451) 12.898 7.833 ( 13.525 0.000 9.903) 16.763 8.885 ( -5.494 -0.000 -0.728) 5.542 9.693 ( -14.908 -0.000 2.398) 15.099 9.897 ( 0.907 0.000 -13.360) 13.391 10.327 ( -27.242 -0.000 36.563) 45.596 10.589 ( 9.932 0.000 -9.600) 13.813 11.459 ( 13.899 0.000 1.714) 14.004 11.720 ( -15.637 -0.000 0.181) 15.638 12.763 ( 3.350 0.000 -1.503) 3.672 12.831 ( -3.702 -0.000 -7.738) 8.578 13.320 ( -0.295 -0.000 0.936) 0.982 13.591 ( -3.151 -0.000 2.898) 4.281 14.686 ( 8.911 0.000 -13.603) 16.262 17.714 ( 4.436 0.000 24.072) 24.478 18.171 ( 7.849 0.000 -26.480) 27.619 19.639 ( -7.842 -0.000 0.218) 7.845 20.038 ( 1.748 0.000 -1.035) 2.032 20.163 ( 1.717 0.000 7.133) 7.336 22.662 ( 14.557 0.000 -8.489) 16.851 24.059 ( -5.041 -0.000 8.354) 9.757 24.620 ( 4.080 0.000 -1.864) 4.486 ======================= Grid point 847 (428/432) ======================= q-point: (-0.18 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -20.139 0.258 2.933) 20.353 2.377 ( -14.017 -6.794 11.669) 19.463 3.335 ( 6.074 0.437 -1.406) 6.250 3.406 ( 8.392 -1.793 -14.255) 16.639 3.612 ( -0.524 -0.002 -1.060) 1.182 4.431 ( -1.734 11.410 -1.066) 11.590 4.525 ( -0.908 3.125 1.478) 3.574 4.662 ( 8.147 -7.632 -6.892) 13.119 5.043 ( 6.977 -2.193 -4.912) 8.810 5.486 ( -0.685 -1.476 -2.929) 3.350 6.103 ( -3.727 2.854 14.016) 14.781 6.236 ( 3.096 0.281 -6.197) 6.933 6.558 ( 3.043 3.234 10.175) 11.101 6.851 ( 6.845 -6.439 -2.836) 9.816 7.416 ( 0.225 2.385 -8.493) 8.824 8.163 ( 14.551 -0.306 12.802) 19.383 8.897 ( -1.110 -8.880 4.327) 9.941 9.512 ( -12.515 2.396 -0.260) 12.745 9.762 ( 1.741 -0.101 -11.471) 11.603 10.372 ( -21.278 7.955 29.962) 37.600 10.618 ( 5.351 -5.221 -5.842) 9.488 11.428 ( -15.777 8.898 -4.706) 18.714 11.640 ( 7.601 0.394 1.471) 7.752 12.714 ( -2.981 1.510 -2.363) 4.092 12.794 ( -0.164 -7.263 -2.034) 7.544 13.308 ( -3.397 0.188 1.054) 3.562 13.606 ( -2.626 -4.266 3.140) 5.912 14.604 ( 8.137 2.117 -18.040) 19.903 17.969 ( 7.382 3.776 -14.393) 16.611 18.120 ( 10.738 -4.344 15.814) 19.603 19.598 ( 3.041 -0.452 -1.427) 3.389 19.915 ( -3.526 12.893 -4.901) 14.237 20.307 ( -1.711 -11.216 4.753) 12.301 22.785 ( 16.219 -2.513 -6.724) 17.736 24.010 ( -8.158 12.595 6.098) 16.198 24.592 ( -5.007 -8.329 -7.133) 12.055 ======================= Grid point 848 (429/432) ======================= q-point: (-0.09 -0.27 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -6.756 -4.786 12.406) 14.915 2.452 ( -9.209 -9.805 15.310) 20.380 3.330 ( 7.593 0.414 -9.565) 12.219 3.465 ( 8.327 -3.609 -4.260) 10.025 3.552 ( -5.168 -1.053 -2.509) 5.841 4.230 ( -4.463 13.387 -7.268) 15.873 4.352 ( -12.579 6.166 -1.821) 14.127 4.729 ( -0.044 -9.646 -1.897) 9.831 5.287 ( 21.435 1.258 2.764) 21.649 5.511 ( 5.535 -4.551 -0.763) 7.206 6.158 ( 3.041 6.837 4.677) 8.824 6.276 ( 1.878 -0.851 5.201) 5.594 6.674 ( 5.125 6.758 6.578) 10.733 6.963 ( 2.733 -8.376 0.486) 8.825 7.285 ( -4.892 3.094 -3.848) 6.951 8.450 ( 10.157 6.634 11.675) 16.837 9.090 ( 2.288 -11.333 10.377) 15.535 9.367 ( -4.819 -2.968 -2.838) 6.331 9.710 ( 4.127 -6.114 -7.332) 10.400 10.307 ( -10.568 16.781 12.143) 23.254 10.663 ( -9.030 -4.353 9.000) 13.472 11.096 ( -13.412 4.097 -5.815) 15.181 11.692 ( 3.707 3.570 -3.666) 6.319 12.621 ( -5.391 0.051 -2.423) 5.911 12.892 ( 3.416 -7.172 3.746) 8.783 13.255 ( -6.551 -1.550 0.537) 6.753 13.658 ( -3.384 -7.966 3.278) 9.256 14.462 ( 7.743 3.387 -19.839) 21.564 17.849 ( 7.016 1.072 -16.388) 17.859 18.511 ( 14.402 1.569 17.581) 22.781 19.640 ( -7.581 10.947 -9.421) 16.312 19.702 ( 13.024 -1.052 -2.938) 13.393 20.396 ( -5.436 -9.210 4.420) 11.572 22.957 ( 15.411 -2.791 -3.932) 16.148 23.776 ( -12.380 19.313 0.801) 22.954 24.481 ( -12.551 -13.723 -8.034) 20.258 ======================= Grid point 858 (430/432) ======================= q-point: (-0.18 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -8.471 -0.000 12.149) 14.810 2.361 ( -9.193 -0.000 16.361) 18.767 3.339 ( 9.881 0.000 -14.355) 17.427 3.420 ( 6.991 0.000 -1.224) 7.098 3.553 ( -5.152 -0.000 -2.450) 5.705 4.354 ( -13.122 -0.000 -1.417) 13.199 4.455 ( -5.398 -0.000 -12.207) 13.347 4.586 ( 0.758 0.000 0.809) 1.108 5.305 ( 26.925 0.000 3.060) 27.099 5.466 ( 2.457 0.000 -1.378) 2.817 6.236 ( -4.614 -0.000 14.906) 15.603 6.252 ( 9.211 0.000 -4.850) 10.410 6.774 ( 7.586 0.000 10.344) 12.827 6.845 ( 2.349 0.000 -2.908) 3.739 7.311 ( -5.360 -0.000 -3.699) 6.512 8.527 ( 15.343 0.000 13.816) 20.647 8.944 ( 2.238 0.000 9.753) 10.007 9.373 ( -10.822 -0.000 1.010) 10.869 9.656 ( 4.518 0.000 -12.603) 13.389 10.511 ( -22.855 -0.000 35.203) 41.972 10.564 ( 8.777 0.000 -13.986) 16.513 11.137 ( -23.722 -0.000 -2.580) 23.862 11.732 ( 4.865 0.000 -4.626) 6.713 12.638 ( -4.065 -0.000 -3.503) 5.366 12.802 ( 2.161 0.000 6.976) 7.303 13.244 ( -6.494 -0.000 -1.380) 6.639 13.587 ( -2.606 -0.000 2.790) 3.818 14.491 ( 8.424 0.000 -20.921) 22.554 17.858 ( 7.829 0.000 -17.410) 19.090 18.521 ( 15.401 0.000 18.754) 24.267 19.681 ( 14.038 0.000 -3.391) 14.441 19.773 ( -9.367 -0.000 -13.644) 16.549 20.293 ( -5.391 -0.000 9.020) 10.509 22.927 ( 17.239 0.000 -5.017) 17.954 24.028 ( -10.040 -0.000 5.792) 11.591 24.284 ( -15.847 -0.000 -13.424) 20.769 ======================= Grid point 859 (431/432) ======================= q-point: (-0.09 -0.18 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 787 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 1.610 -2.497 16.342) 16.610 2.508 ( -3.833 -5.208 19.672) 20.708 3.304 ( 5.855 -0.191 -11.033) 12.492 3.440 ( -4.500 0.519 -4.410) 6.322 3.497 ( 7.257 -2.536 -3.528) 8.459 4.122 ( -11.882 5.636 -5.894) 14.411 4.248 ( -4.378 5.582 -5.390) 8.909 4.623 ( -2.447 -8.112 0.187) 8.475 5.507 ( 4.027 1.248 3.304) 5.357 5.697 ( 24.685 -1.537 2.300) 24.840 6.310 ( 1.394 3.964 7.113) 8.261 6.361 ( 6.674 -1.080 1.906) 7.025 6.802 ( 0.014 4.270 -1.121) 4.415 6.973 ( 6.279 -4.183 -1.027) 7.614 7.263 ( -4.120 2.057 11.579) 12.461 8.796 ( 9.602 11.781 11.001) 18.762 9.186 ( 3.937 -10.994 14.948) 18.969 9.275 ( -4.994 -0.435 1.134) 5.139 9.620 ( 6.444 -7.600 -9.876) 14.030 10.425 ( 1.873 14.289 -7.817) 16.395 10.622 ( -22.081 -1.819 23.778) 32.500 10.864 ( -14.072 -4.916 1.444) 14.975 11.629 ( -3.647 2.028 -12.148) 12.845 12.558 ( -3.811 2.647 -0.811) 4.711 12.961 ( 3.156 -4.974 8.811) 10.599 13.123 ( -6.571 -2.687 -4.527) 8.420 13.602 ( -3.078 -3.773 3.315) 5.891 14.356 ( 8.337 1.803 -19.809) 21.568 17.787 ( 8.444 0.696 -12.744) 15.304 18.909 ( 17.582 1.604 12.034) 21.366 19.412 ( -13.408 5.266 -17.306) 22.517 19.851 ( 15.364 -1.748 -4.801) 16.192 20.376 ( -1.108 -3.400 12.313) 12.822 23.103 ( 15.801 -1.439 -3.339) 16.214 23.719 ( -19.809 19.793 -7.419) 28.969 24.062 ( -16.157 -17.296 -4.242) 24.046 ======================= Grid point 870 (432/432) ======================= q-point: (-0.09 -0.09 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 2.849 0.000 14.571) 14.847 2.702 ( -0.118 -0.000 21.390) 21.391 3.206 ( -4.257 -0.000 -6.925) 8.129 3.367 ( 3.698 0.000 -7.876) 8.701 3.526 ( 7.018 0.000 -6.691) 9.696 3.916 ( -10.606 -0.000 -7.414) 12.940 4.195 ( 0.308 0.000 -3.072) 3.087 4.541 ( -5.019 -0.000 -0.260) 5.025 5.627 ( 4.108 0.000 8.333) 9.291 5.997 ( 18.389 0.000 -0.185) 18.390 6.392 ( -6.195 -0.000 11.540) 13.098 6.494 ( 14.824 0.000 -4.281) 15.430 6.774 ( -4.288 -0.000 0.257) 4.296 6.974 ( 4.833 0.000 -6.902) 8.426 7.492 ( 4.325 0.000 22.755) 23.163 9.071 ( 7.142 0.000 3.517) 7.961 9.261 ( -2.496 -0.000 5.951) 6.453 9.363 ( -1.381 -0.000 20.781) 20.827 9.541 ( 7.541 0.000 -11.870) 14.063 10.377 ( 6.129 0.000 -18.995) 19.959 10.502 ( -26.029 -0.000 14.719) 29.902 10.860 ( -6.473 -0.000 22.165) 23.091 11.390 ( -6.583 -0.000 -16.642) 17.896 12.459 ( -11.089 -0.000 -5.836) 12.531 13.005 ( 3.289 0.000 -6.266) 7.077 13.072 ( -0.340 -0.000 9.510) 9.516 13.602 ( -2.145 -0.000 5.561) 5.960 14.255 ( 7.357 0.000 -17.071) 18.589 17.788 ( 9.898 0.000 -8.181) 12.841 19.016 ( -15.504 -0.000 -19.654) 25.034 19.258 ( 18.168 0.000 5.698) 19.040 19.900 ( -0.417 -0.000 -1.870) 1.916 20.638 ( 17.845 0.000 15.280) 23.493 23.257 ( 14.645 0.000 -5.495) 15.642 23.309 ( -30.049 -0.000 -14.015) 33.156 23.819 ( -12.838 -0.000 2.616) 13.102 =================== 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 3/56628 10.0 2276.470 4945.192 2542.718 0.000 102.327 0.000 3/56628 20.0 699.745 858.048 744.339 0.000 20.721 0.000 3/56628 30.0 239.720 239.196 250.487 0.000 1.242 0.000 3/56628 40.0 115.095 105.512 119.825 0.000 -0.152 0.000 3/56628 50.0 68.341 60.039 71.192 0.000 -0.278 0.000 3/56628 60.0 46.392 39.736 48.387 0.000 -0.308 0.000 3/56628 70.0 34.368 28.948 35.886 0.000 -0.333 0.000 3/56628 80.0 27.022 22.498 28.240 0.000 -0.354 0.000 3/56628 90.0 22.164 18.304 23.179 0.000 -0.369 0.000 3/56628 100.0 18.754 15.401 19.623 0.000 -0.376 0.000 3/56628 110.0 16.250 13.293 17.009 0.000 -0.377 0.000 3/56628 120.0 14.343 11.701 15.016 0.000 -0.373 0.000 3/56628 130.0 12.848 10.461 13.451 0.000 -0.366 0.000 3/56628 140.0 11.646 9.470 12.193 0.000 -0.357 0.000 3/56628 150.0 10.661 8.659 11.160 0.000 -0.346 0.000 3/56628 160.0 9.839 7.985 10.297 0.000 -0.334 0.000 3/56628 170.0 9.143 7.414 9.566 0.000 -0.322 0.000 3/56628 180.0 8.547 6.925 8.938 0.000 -0.309 0.000 3/56628 190.0 8.029 6.500 8.393 0.000 -0.297 0.000 3/56628 200.0 7.576 6.129 7.915 0.000 -0.285 0.000 3/56628 210.0 7.176 5.800 7.492 0.000 -0.273 0.000 3/56628 220.0 6.819 5.507 7.115 0.000 -0.262 0.000 3/56628 230.0 6.499 5.244 6.777 0.000 -0.251 0.000 3/56628 240.0 6.211 5.006 6.471 0.000 -0.241 0.000 3/56628 250.0 5.949 4.791 6.194 0.000 -0.231 0.000 3/56628 260.0 5.710 4.594 5.940 0.000 -0.222 0.000 3/56628 270.0 5.491 4.413 5.708 0.000 -0.213 0.000 3/56628 280.0 5.289 4.247 5.495 0.000 -0.205 0.000 3/56628 290.0 5.103 4.094 5.297 0.000 -0.197 0.000 3/56628 300.0 4.930 3.952 5.114 0.000 -0.190 0.000 3/56628 310.0 4.770 3.820 4.944 0.000 -0.183 0.000 3/56628 320.0 4.620 3.696 4.785 0.000 -0.177 0.000 3/56628 330.0 4.479 3.581 4.636 0.000 -0.170 0.000 3/56628 340.0 4.348 3.473 4.497 0.000 -0.165 0.000 3/56628 350.0 4.224 3.372 4.366 0.000 -0.159 0.000 3/56628 360.0 4.108 3.276 4.243 0.000 -0.154 0.000 3/56628 370.0 3.998 3.186 4.127 0.000 -0.149 0.000 3/56628 380.0 3.893 3.101 4.017 0.000 -0.145 0.000 3/56628 390.0 3.795 3.020 3.913 0.000 -0.141 0.000 3/56628 400.0 3.701 2.944 3.814 0.000 -0.137 0.000 3/56628 410.0 3.612 2.871 3.720 0.000 -0.133 0.000 3/56628 420.0 3.528 2.802 3.631 0.000 -0.129 0.000 3/56628 430.0 3.447 2.737 3.547 0.000 -0.126 0.000 3/56628 440.0 3.370 2.674 3.466 0.000 -0.122 0.000 3/56628 450.0 3.296 2.614 3.388 0.000 -0.119 0.000 3/56628 460.0 3.226 2.557 3.315 0.000 -0.116 0.000 3/56628 470.0 3.158 2.502 3.244 0.000 -0.113 0.000 3/56628 480.0 3.094 2.450 3.176 0.000 -0.111 0.000 3/56628 490.0 3.032 2.400 3.111 0.000 -0.108 0.000 3/56628 500.0 2.972 2.352 3.049 0.000 -0.105 0.000 3/56628 510.0 2.915 2.306 2.989 0.000 -0.103 0.000 3/56628 520.0 2.860 2.261 2.932 0.000 -0.101 0.000 3/56628 530.0 2.807 2.218 2.877 0.000 -0.099 0.000 3/56628 540.0 2.756 2.177 2.824 0.000 -0.097 0.000 3/56628 550.0 2.707 2.138 2.772 0.000 -0.095 0.000 3/56628 560.0 2.660 2.100 2.723 0.000 -0.093 0.000 3/56628 570.0 2.614 2.063 2.675 0.000 -0.091 0.000 3/56628 580.0 2.569 2.027 2.629 0.000 -0.089 0.000 3/56628 590.0 2.527 1.993 2.585 0.000 -0.087 0.000 3/56628 600.0 2.485 1.960 2.542 0.000 -0.086 0.000 3/56628 610.0 2.445 1.928 2.500 0.000 -0.084 0.000 3/56628 620.0 2.407 1.896 2.460 0.000 -0.083 0.000 3/56628 630.0 2.369 1.866 2.421 0.000 -0.081 0.000 3/56628 640.0 2.333 1.837 2.383 0.000 -0.080 0.000 3/56628 650.0 2.297 1.809 2.347 0.000 -0.078 0.000 3/56628 660.0 2.263 1.782 2.311 0.000 -0.077 0.000 3/56628 670.0 2.230 1.755 2.277 0.000 -0.076 0.000 3/56628 680.0 2.198 1.729 2.244 0.000 -0.074 0.000 3/56628 690.0 2.166 1.704 2.211 0.000 -0.073 0.000 3/56628 700.0 2.136 1.680 2.180 0.000 -0.072 0.000 3/56628 710.0 2.106 1.656 2.149 0.000 -0.071 0.000 3/56628 720.0 2.077 1.633 2.119 0.000 -0.070 0.000 3/56628 730.0 2.049 1.611 2.090 0.000 -0.069 0.000 3/56628 740.0 2.022 1.589 2.062 0.000 -0.068 0.000 3/56628 750.0 1.995 1.568 2.035 0.000 -0.067 0.000 3/56628 760.0 1.969 1.548 2.008 0.000 -0.066 0.000 3/56628 770.0 1.944 1.528 1.982 0.000 -0.065 0.000 3/56628 780.0 1.920 1.508 1.957 0.000 -0.064 0.000 3/56628 790.0 1.896 1.489 1.932 0.000 -0.063 0.000 3/56628 800.0 1.872 1.470 1.908 0.000 -0.062 0.000 3/56628 810.0 1.849 1.452 1.885 0.000 -0.061 0.000 3/56628 820.0 1.827 1.435 1.862 0.000 -0.061 0.000 3/56628 830.0 1.805 1.417 1.839 0.000 -0.060 0.000 3/56628 840.0 1.784 1.401 1.817 0.000 -0.059 0.000 3/56628 850.0 1.764 1.384 1.796 0.000 -0.058 0.000 3/56628 860.0 1.743 1.368 1.775 0.000 -0.058 0.000 3/56628 870.0 1.723 1.352 1.755 0.000 -0.057 0.000 3/56628 880.0 1.704 1.337 1.735 0.000 -0.056 0.000 3/56628 890.0 1.685 1.322 1.716 0.000 -0.055 0.000 3/56628 900.0 1.667 1.307 1.697 0.000 -0.055 0.000 3/56628 910.0 1.649 1.293 1.678 0.000 -0.054 0.000 3/56628 920.0 1.631 1.279 1.660 0.000 -0.054 0.000 3/56628 930.0 1.613 1.265 1.642 0.000 -0.053 0.000 3/56628 940.0 1.596 1.252 1.625 0.000 -0.052 0.000 3/56628 950.0 1.580 1.239 1.608 0.000 -0.052 0.000 3/56628 960.0 1.564 1.226 1.591 0.000 -0.051 0.000 3/56628 970.0 1.548 1.213 1.575 0.000 -0.051 0.000 3/56628 980.0 1.532 1.201 1.559 0.000 -0.050 0.000 3/56628 990.0 1.517 1.189 1.543 0.000 -0.050 0.000 3/56628 1000.0 1.502 1.177 1.527 0.000 -0.049 0.000 3/56628 Thermal conductivity related properties were written into "kappa-m111113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:30:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|