----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:40:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.315421960108912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.031432210000000 0.000000000000000 c -0.850860252278466 0.000000000000000 6.665798677153468 Atomic positions (fractional): *1 S 0.91595940385312 0.27553827085003 0.50059176544392 32.065 2 S 0.08404059614688 0.77553827085003 0.99940823455608 32.065 3 S 0.08404059614688 0.72446172914997 0.49940823455608 32.065 4 S 0.91595940385312 0.22446172914997 0.00059176544392 32.065 *5 S 0.59575465215273 0.88971585421597 0.27806897425119 32.065 6 S 0.59575465215273 0.61028414578403 0.77806897425119 32.065 7 S 0.40424534784727 0.11028414578403 0.72193102574881 32.065 8 S 0.40424534784727 0.38971585421597 0.22193102574881 32.065 *9 Cu 0.57157253169336 0.33600078916530 0.55038666674244 63.546 10 Cu 0.42842746830664 0.66399921083471 0.44961333325756 63.546 11 Cu 0.42842746830664 0.83600078916529 0.94961333325756 63.546 12 Cu 0.57157253169336 0.16399921083471 0.05038666674244 63.546 *13 Sm 0.19098560255875 0.04945206468790 0.30130428773528 150.360 14 Sm 0.80901439744125 0.54945206468790 0.19869571226472 150.360 15 Sm 0.80901439744125 0.95054793531210 0.69869571226472 150.360 16 Sm 0.19098560255875 0.45054793531210 0.80130428773528 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.315421960108912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.031432210000000 0.000000000000000 c -0.850860252278466 0.000000000000000 6.665798677153468 Atomic positions (fractional): *1 S 0.91595940385312 0.27553827085003 0.50059176544392 32.065 > 1 2 S 0.08404059614688 0.77553827085003 0.99940823455608 32.065 > 2 3 S 0.08404059614688 0.72446172914997 0.49940823455608 32.065 > 3 4 S 0.91595940385312 0.22446172914997 0.00059176544392 32.065 > 4 *5 S 0.59575465215273 0.88971585421597 0.27806897425119 32.065 > 5 6 S 0.59575465215273 0.61028414578403 0.77806897425119 32.065 > 6 7 S 0.40424534784727 0.11028414578403 0.72193102574881 32.065 > 7 8 S 0.40424534784727 0.38971585421597 0.22193102574881 32.065 > 8 *9 Cu 0.57157253169336 0.33600078916530 0.55038666674244 63.546 > 9 10 Cu 0.42842746830664 0.66399921083471 0.44961333325756 63.546 > 10 11 Cu 0.42842746830664 0.83600078916529 0.94961333325756 63.546 > 11 12 Cu 0.57157253169336 0.16399921083471 0.05038666674244 63.546 > 12 *13 Sm 0.19098560255875 0.04945206468790 0.30130428773528 150.360 > 13 14 Sm 0.80901439744125 0.54945206468790 0.19869571226472 150.360 > 14 15 Sm 0.80901439744125 0.95054793531210 0.69869571226472 150.360 > 15 16 Sm 0.19098560255875 0.45054793531210 0.80130428773528 150.360 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.630843920217824 0.000000000000000 0.000000000000000 b 0.000000000000000 14.062864420000000 0.000000000000000 c -1.701720504556932 0.000000000000000 13.331597354306936 Atomic positions (fractional): *1 S 0.45797970192656 0.13776913542501 0.25029588272196 32.065 > 1 2 S 0.95797970192656 0.13776913542501 0.25029588272196 32.065 > 1 3 S 0.45797970192656 0.63776913542501 0.25029588272196 32.065 > 1 4 S 0.95797970192656 0.63776913542501 0.25029588272196 32.065 > 1 5 S 0.45797970192656 0.13776913542501 0.75029588272196 32.065 > 1 6 S 0.95797970192656 0.13776913542501 0.75029588272196 32.065 > 1 7 S 0.45797970192656 0.63776913542501 0.75029588272196 32.065 > 1 8 S 0.95797970192656 0.63776913542501 0.75029588272196 32.065 > 1 9 S 0.04202029807344 0.38776913542501 0.49970411727804 32.065 > 2 10 S 0.54202029807344 0.38776913542501 0.49970411727804 32.065 > 2 11 S 0.04202029807344 0.88776913542501 0.49970411727804 32.065 > 2 12 S 0.54202029807344 0.88776913542501 0.49970411727804 32.065 > 2 13 S 0.04202029807344 0.38776913542501 0.99970411727804 32.065 > 2 14 S 0.54202029807344 0.38776913542501 0.99970411727804 32.065 > 2 15 S 0.04202029807344 0.88776913542501 0.99970411727804 32.065 > 2 16 S 0.54202029807344 0.88776913542501 0.99970411727804 32.065 > 2 17 S 0.04202029807344 0.36223086457499 0.24970411727804 32.065 > 3 18 S 0.54202029807344 0.36223086457499 0.24970411727804 32.065 > 3 19 S 0.04202029807344 0.86223086457499 0.24970411727804 32.065 > 3 20 S 0.54202029807344 0.86223086457499 0.24970411727804 32.065 > 3 21 S 0.04202029807344 0.36223086457499 0.74970411727804 32.065 > 3 22 S 0.54202029807344 0.36223086457499 0.74970411727804 32.065 > 3 23 S 0.04202029807344 0.86223086457499 0.74970411727804 32.065 > 3 24 S 0.54202029807344 0.86223086457499 0.74970411727804 32.065 > 3 25 S 0.45797970192656 0.11223086457499 0.00029588272196 32.065 > 4 26 S 0.95797970192656 0.11223086457499 0.00029588272196 32.065 > 4 27 S 0.45797970192656 0.61223086457499 0.00029588272196 32.065 > 4 28 S 0.95797970192656 0.61223086457499 0.00029588272196 32.065 > 4 29 S 0.45797970192656 0.11223086457499 0.50029588272196 32.065 > 4 30 S 0.95797970192656 0.11223086457499 0.50029588272196 32.065 > 4 31 S 0.45797970192656 0.61223086457499 0.50029588272196 32.065 > 4 32 S 0.95797970192656 0.61223086457499 0.50029588272196 32.065 > 4 *33 S 0.29787732607637 0.44485792710798 0.13903448712560 32.065 > 5 34 S 0.79787732607637 0.44485792710798 0.13903448712560 32.065 > 5 35 S 0.29787732607637 0.94485792710798 0.13903448712560 32.065 > 5 36 S 0.79787732607637 0.94485792710798 0.13903448712560 32.065 > 5 37 S 0.29787732607637 0.44485792710798 0.63903448712560 32.065 > 5 38 S 0.79787732607637 0.44485792710798 0.63903448712560 32.065 > 5 39 S 0.29787732607637 0.94485792710798 0.63903448712560 32.065 > 5 40 S 0.79787732607637 0.94485792710798 0.63903448712560 32.065 > 5 41 S 0.29787732607637 0.30514207289202 0.38903448712560 32.065 > 6 42 S 0.79787732607637 0.30514207289202 0.38903448712560 32.065 > 6 43 S 0.29787732607637 0.80514207289202 0.38903448712560 32.065 > 6 44 S 0.79787732607637 0.80514207289202 0.38903448712560 32.065 > 6 45 S 0.29787732607637 0.30514207289202 0.88903448712560 32.065 > 6 46 S 0.79787732607637 0.30514207289202 0.88903448712560 32.065 > 6 47 S 0.29787732607637 0.80514207289202 0.88903448712560 32.065 > 6 48 S 0.79787732607637 0.80514207289202 0.88903448712560 32.065 > 6 49 S 0.20212267392363 0.05514207289202 0.36096551287440 32.065 > 7 50 S 0.70212267392363 0.05514207289202 0.36096551287440 32.065 > 7 51 S 0.20212267392363 0.55514207289202 0.36096551287440 32.065 > 7 52 S 0.70212267392363 0.55514207289202 0.36096551287440 32.065 > 7 53 S 0.20212267392363 0.05514207289202 0.86096551287440 32.065 > 7 54 S 0.70212267392363 0.05514207289202 0.86096551287440 32.065 > 7 55 S 0.20212267392363 0.55514207289202 0.86096551287440 32.065 > 7 56 S 0.70212267392363 0.55514207289202 0.86096551287440 32.065 > 7 57 S 0.20212267392363 0.19485792710798 0.11096551287440 32.065 > 8 58 S 0.70212267392363 0.19485792710798 0.11096551287440 32.065 > 8 59 S 0.20212267392363 0.69485792710798 0.11096551287440 32.065 > 8 60 S 0.70212267392363 0.69485792710798 0.11096551287440 32.065 > 8 61 S 0.20212267392363 0.19485792710798 0.61096551287440 32.065 > 8 62 S 0.70212267392363 0.19485792710798 0.61096551287440 32.065 > 8 63 S 0.20212267392363 0.69485792710798 0.61096551287440 32.065 > 8 64 S 0.70212267392363 0.69485792710798 0.61096551287440 32.065 > 8 *65 Cu 0.28578626584668 0.16800039458265 0.27519333337122 63.546 > 9 66 Cu 0.78578626584668 0.16800039458265 0.27519333337122 63.546 > 9 67 Cu 0.28578626584668 0.66800039458265 0.27519333337122 63.546 > 9 68 Cu 0.78578626584668 0.66800039458265 0.27519333337122 63.546 > 9 69 Cu 0.28578626584668 0.16800039458265 0.77519333337122 63.546 > 9 70 Cu 0.78578626584668 0.16800039458265 0.77519333337122 63.546 > 9 71 Cu 0.28578626584668 0.66800039458265 0.77519333337122 63.546 > 9 72 Cu 0.78578626584668 0.66800039458265 0.77519333337122 63.546 > 9 73 Cu 0.21421373415332 0.33199960541735 0.22480666662878 63.546 > 10 74 Cu 0.71421373415332 0.33199960541735 0.22480666662878 63.546 > 10 75 Cu 0.21421373415332 0.83199960541735 0.22480666662878 63.546 > 10 76 Cu 0.71421373415332 0.83199960541735 0.22480666662878 63.546 > 10 77 Cu 0.21421373415332 0.33199960541735 0.72480666662878 63.546 > 10 78 Cu 0.71421373415332 0.33199960541735 0.72480666662878 63.546 > 10 79 Cu 0.21421373415332 0.83199960541735 0.72480666662878 63.546 > 10 80 Cu 0.71421373415332 0.83199960541735 0.72480666662878 63.546 > 10 81 Cu 0.21421373415332 0.41800039458265 0.47480666662878 63.546 > 11 82 Cu 0.71421373415332 0.41800039458265 0.47480666662878 63.546 > 11 83 Cu 0.21421373415332 0.91800039458265 0.47480666662878 63.546 > 11 84 Cu 0.71421373415332 0.91800039458265 0.47480666662878 63.546 > 11 85 Cu 0.21421373415332 0.41800039458265 0.97480666662878 63.546 > 11 86 Cu 0.71421373415332 0.41800039458265 0.97480666662878 63.546 > 11 87 Cu 0.21421373415332 0.91800039458265 0.97480666662878 63.546 > 11 88 Cu 0.71421373415332 0.91800039458265 0.97480666662878 63.546 > 11 89 Cu 0.28578626584668 0.08199960541735 0.02519333337122 63.546 > 12 90 Cu 0.78578626584668 0.08199960541735 0.02519333337122 63.546 > 12 91 Cu 0.28578626584668 0.58199960541735 0.02519333337122 63.546 > 12 92 Cu 0.78578626584668 0.58199960541735 0.02519333337122 63.546 > 12 93 Cu 0.28578626584668 0.08199960541735 0.52519333337122 63.546 > 12 94 Cu 0.78578626584668 0.08199960541735 0.52519333337122 63.546 > 12 95 Cu 0.28578626584668 0.58199960541735 0.52519333337122 63.546 > 12 96 Cu 0.78578626584668 0.58199960541735 0.52519333337122 63.546 > 12 *97 Sm 0.09549280127938 0.02472603234395 0.15065214386764 150.360 > 13 98 Sm 0.59549280127938 0.02472603234395 0.15065214386764 150.360 > 13 99 Sm 0.09549280127938 0.52472603234395 0.15065214386764 150.360 > 13 100 Sm 0.59549280127938 0.52472603234395 0.15065214386764 150.360 > 13 101 Sm 0.09549280127938 0.02472603234395 0.65065214386764 150.360 > 13 102 Sm 0.59549280127938 0.02472603234395 0.65065214386764 150.360 > 13 103 Sm 0.09549280127938 0.52472603234395 0.65065214386764 150.360 > 13 104 Sm 0.59549280127938 0.52472603234395 0.65065214386764 150.360 > 13 105 Sm 0.40450719872062 0.27472603234395 0.09934785613236 150.360 > 14 106 Sm 0.90450719872062 0.27472603234395 0.09934785613236 150.360 > 14 107 Sm 0.40450719872062 0.77472603234395 0.09934785613236 150.360 > 14 108 Sm 0.90450719872062 0.77472603234395 0.09934785613236 150.360 > 14 109 Sm 0.40450719872062 0.27472603234395 0.59934785613236 150.360 > 14 110 Sm 0.90450719872062 0.27472603234395 0.59934785613236 150.360 > 14 111 Sm 0.40450719872062 0.77472603234395 0.59934785613236 150.360 > 14 112 Sm 0.90450719872062 0.77472603234395 0.59934785613236 150.360 > 14 113 Sm 0.40450719872062 0.47527396765605 0.34934785613236 150.360 > 15 114 Sm 0.90450719872062 0.47527396765605 0.34934785613236 150.360 > 15 115 Sm 0.40450719872062 0.97527396765605 0.34934785613236 150.360 > 15 116 Sm 0.90450719872062 0.97527396765605 0.34934785613236 150.360 > 15 117 Sm 0.40450719872062 0.47527396765605 0.84934785613236 150.360 > 15 118 Sm 0.90450719872062 0.47527396765605 0.84934785613236 150.360 > 15 119 Sm 0.40450719872062 0.97527396765605 0.84934785613236 150.360 > 15 120 Sm 0.90450719872062 0.97527396765605 0.84934785613236 150.360 > 15 121 Sm 0.09549280127938 0.22527396765605 0.40065214386764 150.360 > 16 122 Sm 0.59549280127938 0.22527396765605 0.40065214386764 150.360 > 16 123 Sm 0.09549280127938 0.72527396765605 0.40065214386764 150.360 > 16 124 Sm 0.59549280127938 0.72527396765605 0.40065214386764 150.360 > 16 125 Sm 0.09549280127938 0.22527396765605 0.90065214386764 150.360 > 16 126 Sm 0.59549280127938 0.22527396765605 0.90065214386764 150.360 > 16 127 Sm 0.09549280127938 0.72527396765605 0.90065214386764 150.360 > 16 128 Sm 0.59549280127938 0.72527396765605 0.90065214386764 150.360 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7008088 0.0000000 0.1580894 0.0000000 10.9630460 0.0000000 0.1580879 0.0000000 11.0932675 -------------------------- Born effective charges -------------------------- 1 S -2.3294099 0.0789047 0.1797788 0.0484547 -2.8714224 0.1905173 -0.0133872 0.2857042 -2.3199863 2 S -2.3294099 -0.0789047 0.1797788 -0.0484547 -2.8714224 -0.1905173 -0.0133872 -0.2857042 -2.3199863 3 S -2.3294099 0.0789047 0.1797788 0.0484547 -2.8714224 0.1905173 -0.0133872 0.2857042 -2.3199863 4 S -2.3294099 -0.0789047 0.1797788 -0.0484547 -2.8714224 -0.1905173 -0.0133872 -0.2857042 -2.3199863 5 S -2.2016100 0.4410182 -0.2790409 0.6255414 -2.4875656 -0.0989101 -0.1046231 -0.1832054 -2.6259955 6 S -2.2016100 -0.4410182 -0.2790409 -0.6255414 -2.4875656 0.0989101 -0.1046231 0.1832054 -2.6259955 7 S -2.2016100 0.4410182 -0.2790409 0.6255414 -2.4875656 -0.0989101 -0.1046231 -0.1832054 -2.6259955 8 S -2.2016100 -0.4410182 -0.2790409 -0.6255414 -2.4875656 0.0989101 -0.1046231 0.1832054 -2.6259955 9 Cu 0.3537680 0.0353084 0.0948947 0.0339310 0.6487016 0.2507783 0.0191752 0.2086914 0.9657759 10 Cu 0.3537680 0.0353084 0.0948947 0.0339310 0.6487016 0.2507783 0.0191752 0.2086914 0.9657759 11 Cu 0.3537680 -0.0353084 0.0948947 -0.0339310 0.6487016 -0.2507783 0.0191752 -0.2086914 0.9657759 12 Cu 0.3537680 -0.0353084 0.0948947 -0.0339310 0.6487016 -0.2507783 0.0191752 -0.2086914 0.9657759 13 Sm 4.1772520 -0.1842563 0.0043674 -0.1850265 4.7102864 0.0107161 0.0988351 0.2891217 3.9802059 14 Sm 4.1772520 0.1842563 0.0043674 0.1850265 4.7102864 -0.0107161 0.0988351 -0.2891217 3.9802059 15 Sm 4.1772520 -0.1842563 0.0043674 -0.1850265 4.7102864 0.0107161 0.0988351 0.2891217 3.9802059 16 Sm 4.1772520 0.1842563 0.0043674 0.1850265 4.7102864 -0.0107161 0.0988351 -0.2891217 3.9802059 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.930 Solver_block: 200 / 480 - Time: 0.898 Solver_block: 300 / 480 - Time: 0.916 Solver_block: 400 / 480 - Time: 0.905 Solver_block: 480 / 480 - Time: 0.755 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.497 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 20:40:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:40:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.315421960108912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.031432210000000 0.000000000000000 c -0.850860252278466 0.000000000000000 6.665798677153468 Atomic positions (fractional): 1 S 0.91595940385312 0.27553827085003 0.50059176544392 32.065 2 S 0.08404059614688 0.77553827085003 0.99940823455608 32.065 3 S 0.08404059614688 0.72446172914997 0.49940823455608 32.065 4 S 0.91595940385312 0.22446172914997 0.00059176544392 32.065 5 S 0.59575465215273 0.88971585421597 0.27806897425119 32.065 6 S 0.59575465215273 0.61028414578403 0.77806897425119 32.065 7 S 0.40424534784727 0.11028414578403 0.72193102574881 32.065 8 S 0.40424534784727 0.38971585421597 0.22193102574881 32.065 9 Cu 0.57157253169336 0.33600078916530 0.55038666674244 63.546 10 Cu 0.42842746830664 0.66399921083471 0.44961333325756 63.546 11 Cu 0.42842746830664 0.83600078916529 0.94961333325756 63.546 12 Cu 0.57157253169336 0.16399921083471 0.05038666674244 63.546 13 Sm 0.19098560255875 0.04945206468790 0.30130428773528 150.360 14 Sm 0.80901439744125 0.54945206468790 0.19869571226472 150.360 15 Sm 0.80901439744125 0.95054793531210 0.69869571226472 150.360 16 Sm 0.19098560255875 0.45054793531210 0.80130428773528 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.630843920217824 0.000000000000000 0.000000000000000 b 0.000000000000000 14.062864420000000 0.000000000000000 c -1.701720504556932 0.000000000000000 13.331597354306936 Atomic positions (fractional): 1 S 0.45797970192656 0.13776913542501 0.25029588272196 32.065 > 1 2 S 0.95797970192656 0.13776913542501 0.25029588272196 32.065 > 1 3 S 0.45797970192656 0.63776913542501 0.25029588272196 32.065 > 1 4 S 0.95797970192656 0.63776913542501 0.25029588272196 32.065 > 1 5 S 0.45797970192656 0.13776913542501 0.75029588272196 32.065 > 1 6 S 0.95797970192656 0.13776913542501 0.75029588272196 32.065 > 1 7 S 0.45797970192656 0.63776913542501 0.75029588272196 32.065 > 1 8 S 0.95797970192656 0.63776913542501 0.75029588272196 32.065 > 1 9 S 0.04202029807344 0.38776913542501 0.49970411727804 32.065 > 9 10 S 0.54202029807344 0.38776913542501 0.49970411727804 32.065 > 9 11 S 0.04202029807344 0.88776913542501 0.49970411727804 32.065 > 9 12 S 0.54202029807344 0.88776913542501 0.49970411727804 32.065 > 9 13 S 0.04202029807344 0.38776913542501 0.99970411727804 32.065 > 9 14 S 0.54202029807344 0.38776913542501 0.99970411727804 32.065 > 9 15 S 0.04202029807344 0.88776913542501 0.99970411727804 32.065 > 9 16 S 0.54202029807344 0.88776913542501 0.99970411727804 32.065 > 9 17 S 0.04202029807344 0.36223086457499 0.24970411727804 32.065 > 17 18 S 0.54202029807344 0.36223086457499 0.24970411727804 32.065 > 17 19 S 0.04202029807344 0.86223086457499 0.24970411727804 32.065 > 17 20 S 0.54202029807344 0.86223086457499 0.24970411727804 32.065 > 17 21 S 0.04202029807344 0.36223086457499 0.74970411727804 32.065 > 17 22 S 0.54202029807344 0.36223086457499 0.74970411727804 32.065 > 17 23 S 0.04202029807344 0.86223086457499 0.74970411727804 32.065 > 17 24 S 0.54202029807344 0.86223086457499 0.74970411727804 32.065 > 17 25 S 0.45797970192656 0.11223086457499 0.00029588272196 32.065 > 25 26 S 0.95797970192656 0.11223086457499 0.00029588272196 32.065 > 25 27 S 0.45797970192656 0.61223086457499 0.00029588272196 32.065 > 25 28 S 0.95797970192656 0.61223086457499 0.00029588272196 32.065 > 25 29 S 0.45797970192656 0.11223086457499 0.50029588272196 32.065 > 25 30 S 0.95797970192656 0.11223086457499 0.50029588272196 32.065 > 25 31 S 0.45797970192656 0.61223086457499 0.50029588272196 32.065 > 25 32 S 0.95797970192656 0.61223086457499 0.50029588272196 32.065 > 25 33 S 0.29787732607637 0.44485792710798 0.13903448712560 32.065 > 33 34 S 0.79787732607637 0.44485792710798 0.13903448712560 32.065 > 33 35 S 0.29787732607637 0.94485792710798 0.13903448712560 32.065 > 33 36 S 0.79787732607637 0.94485792710798 0.13903448712560 32.065 > 33 37 S 0.29787732607637 0.44485792710798 0.63903448712560 32.065 > 33 38 S 0.79787732607637 0.44485792710798 0.63903448712560 32.065 > 33 39 S 0.29787732607637 0.94485792710798 0.63903448712560 32.065 > 33 40 S 0.79787732607637 0.94485792710798 0.63903448712560 32.065 > 33 41 S 0.29787732607637 0.30514207289202 0.38903448712560 32.065 > 41 42 S 0.79787732607637 0.30514207289202 0.38903448712560 32.065 > 41 43 S 0.29787732607637 0.80514207289202 0.38903448712560 32.065 > 41 44 S 0.79787732607637 0.80514207289202 0.38903448712560 32.065 > 41 45 S 0.29787732607637 0.30514207289202 0.88903448712560 32.065 > 41 46 S 0.79787732607637 0.30514207289202 0.88903448712560 32.065 > 41 47 S 0.29787732607637 0.80514207289202 0.88903448712560 32.065 > 41 48 S 0.79787732607637 0.80514207289202 0.88903448712560 32.065 > 41 49 S 0.20212267392363 0.05514207289202 0.36096551287440 32.065 > 49 50 S 0.70212267392363 0.05514207289202 0.36096551287440 32.065 > 49 51 S 0.20212267392363 0.55514207289202 0.36096551287440 32.065 > 49 52 S 0.70212267392363 0.55514207289202 0.36096551287440 32.065 > 49 53 S 0.20212267392363 0.05514207289202 0.86096551287440 32.065 > 49 54 S 0.70212267392363 0.05514207289202 0.86096551287440 32.065 > 49 55 S 0.20212267392363 0.55514207289202 0.86096551287440 32.065 > 49 56 S 0.70212267392363 0.55514207289202 0.86096551287440 32.065 > 49 57 S 0.20212267392363 0.19485792710798 0.11096551287440 32.065 > 57 58 S 0.70212267392363 0.19485792710798 0.11096551287440 32.065 > 57 59 S 0.20212267392363 0.69485792710798 0.11096551287440 32.065 > 57 60 S 0.70212267392363 0.69485792710798 0.11096551287440 32.065 > 57 61 S 0.20212267392363 0.19485792710798 0.61096551287440 32.065 > 57 62 S 0.70212267392363 0.19485792710798 0.61096551287440 32.065 > 57 63 S 0.20212267392363 0.69485792710798 0.61096551287440 32.065 > 57 64 S 0.70212267392363 0.69485792710798 0.61096551287440 32.065 > 57 65 Cu 0.28578626584668 0.16800039458265 0.27519333337122 63.546 > 65 66 Cu 0.78578626584668 0.16800039458265 0.27519333337122 63.546 > 65 67 Cu 0.28578626584668 0.66800039458265 0.27519333337122 63.546 > 65 68 Cu 0.78578626584668 0.66800039458265 0.27519333337122 63.546 > 65 69 Cu 0.28578626584668 0.16800039458265 0.77519333337122 63.546 > 65 70 Cu 0.78578626584668 0.16800039458265 0.77519333337122 63.546 > 65 71 Cu 0.28578626584668 0.66800039458265 0.77519333337122 63.546 > 65 72 Cu 0.78578626584668 0.66800039458265 0.77519333337122 63.546 > 65 73 Cu 0.21421373415332 0.33199960541735 0.22480666662878 63.546 > 73 74 Cu 0.71421373415332 0.33199960541735 0.22480666662878 63.546 > 73 75 Cu 0.21421373415332 0.83199960541735 0.22480666662878 63.546 > 73 76 Cu 0.71421373415332 0.83199960541735 0.22480666662878 63.546 > 73 77 Cu 0.21421373415332 0.33199960541735 0.72480666662878 63.546 > 73 78 Cu 0.71421373415332 0.33199960541735 0.72480666662878 63.546 > 73 79 Cu 0.21421373415332 0.83199960541735 0.72480666662878 63.546 > 73 80 Cu 0.71421373415332 0.83199960541735 0.72480666662878 63.546 > 73 81 Cu 0.21421373415332 0.41800039458265 0.47480666662878 63.546 > 81 82 Cu 0.71421373415332 0.41800039458265 0.47480666662878 63.546 > 81 83 Cu 0.21421373415332 0.91800039458265 0.47480666662878 63.546 > 81 84 Cu 0.71421373415332 0.91800039458265 0.47480666662878 63.546 > 81 85 Cu 0.21421373415332 0.41800039458265 0.97480666662878 63.546 > 81 86 Cu 0.71421373415332 0.41800039458265 0.97480666662878 63.546 > 81 87 Cu 0.21421373415332 0.91800039458265 0.97480666662878 63.546 > 81 88 Cu 0.71421373415332 0.91800039458265 0.97480666662878 63.546 > 81 89 Cu 0.28578626584668 0.08199960541735 0.02519333337122 63.546 > 89 90 Cu 0.78578626584668 0.08199960541735 0.02519333337122 63.546 > 89 91 Cu 0.28578626584668 0.58199960541735 0.02519333337122 63.546 > 89 92 Cu 0.78578626584668 0.58199960541735 0.02519333337122 63.546 > 89 93 Cu 0.28578626584668 0.08199960541735 0.52519333337122 63.546 > 89 94 Cu 0.78578626584668 0.08199960541735 0.52519333337122 63.546 > 89 95 Cu 0.28578626584668 0.58199960541735 0.52519333337122 63.546 > 89 96 Cu 0.78578626584668 0.58199960541735 0.52519333337122 63.546 > 89 97 Sm 0.09549280127938 0.02472603234395 0.15065214386764 150.360 > 97 98 Sm 0.59549280127938 0.02472603234395 0.15065214386764 150.360 > 97 99 Sm 0.09549280127938 0.52472603234395 0.15065214386764 150.360 > 97 100 Sm 0.59549280127938 0.52472603234395 0.15065214386764 150.360 > 97 101 Sm 0.09549280127938 0.02472603234395 0.65065214386764 150.360 > 97 102 Sm 0.59549280127938 0.02472603234395 0.65065214386764 150.360 > 97 103 Sm 0.09549280127938 0.52472603234395 0.65065214386764 150.360 > 97 104 Sm 0.59549280127938 0.52472603234395 0.65065214386764 150.360 > 97 105 Sm 0.40450719872062 0.27472603234395 0.09934785613236 150.360 > 105 106 Sm 0.90450719872062 0.27472603234395 0.09934785613236 150.360 > 105 107 Sm 0.40450719872062 0.77472603234395 0.09934785613236 150.360 > 105 108 Sm 0.90450719872062 0.77472603234395 0.09934785613236 150.360 > 105 109 Sm 0.40450719872062 0.27472603234395 0.59934785613236 150.360 > 105 110 Sm 0.90450719872062 0.27472603234395 0.59934785613236 150.360 > 105 111 Sm 0.40450719872062 0.77472603234395 0.59934785613236 150.360 > 105 112 Sm 0.90450719872062 0.77472603234395 0.59934785613236 150.360 > 105 113 Sm 0.40450719872062 0.47527396765605 0.34934785613236 150.360 > 113 114 Sm 0.90450719872062 0.47527396765605 0.34934785613236 150.360 > 113 115 Sm 0.40450719872062 0.97527396765605 0.34934785613236 150.360 > 113 116 Sm 0.90450719872062 0.97527396765605 0.34934785613236 150.360 > 113 117 Sm 0.40450719872062 0.47527396765605 0.84934785613236 150.360 > 113 118 Sm 0.90450719872062 0.47527396765605 0.84934785613236 150.360 > 113 119 Sm 0.40450719872062 0.97527396765605 0.84934785613236 150.360 > 113 120 Sm 0.90450719872062 0.97527396765605 0.84934785613236 150.360 > 113 121 Sm 0.09549280127938 0.22527396765605 0.40065214386764 150.360 > 121 122 Sm 0.59549280127938 0.22527396765605 0.40065214386764 150.360 > 121 123 Sm 0.09549280127938 0.72527396765605 0.40065214386764 150.360 > 121 124 Sm 0.59549280127938 0.72527396765605 0.40065214386764 150.360 > 121 125 Sm 0.09549280127938 0.22527396765605 0.90065214386764 150.360 > 121 126 Sm 0.59549280127938 0.22527396765605 0.90065214386764 150.360 > 121 127 Sm 0.09549280127938 0.72527396765605 0.90065214386764 150.360 > 121 128 Sm 0.59549280127938 0.72527396765605 0.90065214386764 150.360 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7008088 0.0000000 0.1580894 0.0000000 10.9630460 0.0000000 0.1580879 0.0000000 11.0932675 -------------------------- Born effective charges -------------------------- 1 S -2.3294099 0.0789047 0.1797788 0.0484547 -2.8714224 0.1905173 -0.0133872 0.2857042 -2.3199863 2 S -2.3294099 -0.0789047 0.1797788 -0.0484547 -2.8714224 -0.1905173 -0.0133872 -0.2857042 -2.3199863 3 S -2.3294099 0.0789047 0.1797788 0.0484547 -2.8714224 0.1905173 -0.0133872 0.2857042 -2.3199863 4 S -2.3294099 -0.0789047 0.1797788 -0.0484547 -2.8714224 -0.1905173 -0.0133872 -0.2857042 -2.3199863 5 S -2.2016100 0.4410182 -0.2790409 0.6255414 -2.4875656 -0.0989101 -0.1046231 -0.1832054 -2.6259955 6 S -2.2016100 -0.4410182 -0.2790409 -0.6255414 -2.4875656 0.0989101 -0.1046231 0.1832054 -2.6259955 7 S -2.2016100 0.4410182 -0.2790409 0.6255414 -2.4875656 -0.0989101 -0.1046231 -0.1832054 -2.6259955 8 S -2.2016100 -0.4410182 -0.2790409 -0.6255414 -2.4875656 0.0989101 -0.1046231 0.1832054 -2.6259955 9 Cu 0.3537680 0.0353084 0.0948947 0.0339310 0.6487016 0.2507783 0.0191752 0.2086914 0.9657759 10 Cu 0.3537680 0.0353084 0.0948947 0.0339310 0.6487016 0.2507783 0.0191752 0.2086914 0.9657759 11 Cu 0.3537680 -0.0353084 0.0948947 -0.0339310 0.6487016 -0.2507783 0.0191752 -0.2086914 0.9657759 12 Cu 0.3537680 -0.0353084 0.0948947 -0.0339310 0.6487016 -0.2507783 0.0191752 -0.2086914 0.9657759 13 Sm 4.1772520 -0.1842563 0.0043674 -0.1850265 4.7102864 0.0107161 0.0988351 0.2891217 3.9802059 14 Sm 4.1772520 0.1842563 0.0043674 0.1850265 4.7102864 -0.0107161 0.0988351 -0.2891217 3.9802059 15 Sm 4.1772520 -0.1842563 0.0043674 -0.1850265 4.7102864 0.0107161 0.0988351 0.2891217 3.9802059 16 Sm 4.1772520 0.1842563 0.0043674 0.1850265 4.7102864 -0.0107161 0.0988351 -0.2891217 3.9802059 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) 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 20:41:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:41:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.315421960108912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.031432210000000 0.000000000000000 c -0.850860252278466 0.000000000000000 6.665798677153468 Atomic positions (fractional): 1 S 0.91595940385312 0.27553827085003 0.50059176544392 32.065 2 S 0.08404059614688 0.77553827085003 0.99940823455608 32.065 3 S 0.08404059614688 0.72446172914997 0.49940823455608 32.065 4 S 0.91595940385312 0.22446172914997 0.00059176544392 32.065 5 S 0.59575465215273 0.88971585421597 0.27806897425119 32.065 6 S 0.59575465215273 0.61028414578403 0.77806897425119 32.065 7 S 0.40424534784727 0.11028414578403 0.72193102574881 32.065 8 S 0.40424534784727 0.38971585421597 0.22193102574881 32.065 9 Cu 0.57157253169336 0.33600078916530 0.55038666674244 63.546 10 Cu 0.42842746830664 0.66399921083471 0.44961333325756 63.546 11 Cu 0.42842746830664 0.83600078916529 0.94961333325756 63.546 12 Cu 0.57157253169336 0.16399921083471 0.05038666674244 63.546 13 Sm 0.19098560255875 0.04945206468790 0.30130428773528 150.360 14 Sm 0.80901439744125 0.54945206468790 0.19869571226472 150.360 15 Sm 0.80901439744125 0.95054793531210 0.69869571226472 150.360 16 Sm 0.19098560255875 0.45054793531210 0.80130428773528 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.630843920217824 0.000000000000000 0.000000000000000 b 0.000000000000000 14.062864420000000 0.000000000000000 c -1.701720504556932 0.000000000000000 13.331597354306936 Atomic positions (fractional): 1 S 0.45797970192656 0.13776913542501 0.25029588272196 32.065 > 1 2 S 0.95797970192656 0.13776913542501 0.25029588272196 32.065 > 1 3 S 0.45797970192656 0.63776913542501 0.25029588272196 32.065 > 1 4 S 0.95797970192656 0.63776913542501 0.25029588272196 32.065 > 1 5 S 0.45797970192656 0.13776913542501 0.75029588272196 32.065 > 1 6 S 0.95797970192656 0.13776913542501 0.75029588272196 32.065 > 1 7 S 0.45797970192656 0.63776913542501 0.75029588272196 32.065 > 1 8 S 0.95797970192656 0.63776913542501 0.75029588272196 32.065 > 1 9 S 0.04202029807344 0.38776913542501 0.49970411727804 32.065 > 9 10 S 0.54202029807344 0.38776913542501 0.49970411727804 32.065 > 9 11 S 0.04202029807344 0.88776913542501 0.49970411727804 32.065 > 9 12 S 0.54202029807344 0.88776913542501 0.49970411727804 32.065 > 9 13 S 0.04202029807344 0.38776913542501 0.99970411727804 32.065 > 9 14 S 0.54202029807344 0.38776913542501 0.99970411727804 32.065 > 9 15 S 0.04202029807344 0.88776913542501 0.99970411727804 32.065 > 9 16 S 0.54202029807344 0.88776913542501 0.99970411727804 32.065 > 9 17 S 0.04202029807344 0.36223086457499 0.24970411727804 32.065 > 17 18 S 0.54202029807344 0.36223086457499 0.24970411727804 32.065 > 17 19 S 0.04202029807344 0.86223086457499 0.24970411727804 32.065 > 17 20 S 0.54202029807344 0.86223086457499 0.24970411727804 32.065 > 17 21 S 0.04202029807344 0.36223086457499 0.74970411727804 32.065 > 17 22 S 0.54202029807344 0.36223086457499 0.74970411727804 32.065 > 17 23 S 0.04202029807344 0.86223086457499 0.74970411727804 32.065 > 17 24 S 0.54202029807344 0.86223086457499 0.74970411727804 32.065 > 17 25 S 0.45797970192656 0.11223086457499 0.00029588272196 32.065 > 25 26 S 0.95797970192656 0.11223086457499 0.00029588272196 32.065 > 25 27 S 0.45797970192656 0.61223086457499 0.00029588272196 32.065 > 25 28 S 0.95797970192656 0.61223086457499 0.00029588272196 32.065 > 25 29 S 0.45797970192656 0.11223086457499 0.50029588272196 32.065 > 25 30 S 0.95797970192656 0.11223086457499 0.50029588272196 32.065 > 25 31 S 0.45797970192656 0.61223086457499 0.50029588272196 32.065 > 25 32 S 0.95797970192656 0.61223086457499 0.50029588272196 32.065 > 25 33 S 0.29787732607637 0.44485792710798 0.13903448712560 32.065 > 33 34 S 0.79787732607637 0.44485792710798 0.13903448712560 32.065 > 33 35 S 0.29787732607637 0.94485792710798 0.13903448712560 32.065 > 33 36 S 0.79787732607637 0.94485792710798 0.13903448712560 32.065 > 33 37 S 0.29787732607637 0.44485792710798 0.63903448712560 32.065 > 33 38 S 0.79787732607637 0.44485792710798 0.63903448712560 32.065 > 33 39 S 0.29787732607637 0.94485792710798 0.63903448712560 32.065 > 33 40 S 0.79787732607637 0.94485792710798 0.63903448712560 32.065 > 33 41 S 0.29787732607637 0.30514207289202 0.38903448712560 32.065 > 41 42 S 0.79787732607637 0.30514207289202 0.38903448712560 32.065 > 41 43 S 0.29787732607637 0.80514207289202 0.38903448712560 32.065 > 41 44 S 0.79787732607637 0.80514207289202 0.38903448712560 32.065 > 41 45 S 0.29787732607637 0.30514207289202 0.88903448712560 32.065 > 41 46 S 0.79787732607637 0.30514207289202 0.88903448712560 32.065 > 41 47 S 0.29787732607637 0.80514207289202 0.88903448712560 32.065 > 41 48 S 0.79787732607637 0.80514207289202 0.88903448712560 32.065 > 41 49 S 0.20212267392363 0.05514207289202 0.36096551287440 32.065 > 49 50 S 0.70212267392363 0.05514207289202 0.36096551287440 32.065 > 49 51 S 0.20212267392363 0.55514207289202 0.36096551287440 32.065 > 49 52 S 0.70212267392363 0.55514207289202 0.36096551287440 32.065 > 49 53 S 0.20212267392363 0.05514207289202 0.86096551287440 32.065 > 49 54 S 0.70212267392363 0.05514207289202 0.86096551287440 32.065 > 49 55 S 0.20212267392363 0.55514207289202 0.86096551287440 32.065 > 49 56 S 0.70212267392363 0.55514207289202 0.86096551287440 32.065 > 49 57 S 0.20212267392363 0.19485792710798 0.11096551287440 32.065 > 57 58 S 0.70212267392363 0.19485792710798 0.11096551287440 32.065 > 57 59 S 0.20212267392363 0.69485792710798 0.11096551287440 32.065 > 57 60 S 0.70212267392363 0.69485792710798 0.11096551287440 32.065 > 57 61 S 0.20212267392363 0.19485792710798 0.61096551287440 32.065 > 57 62 S 0.70212267392363 0.19485792710798 0.61096551287440 32.065 > 57 63 S 0.20212267392363 0.69485792710798 0.61096551287440 32.065 > 57 64 S 0.70212267392363 0.69485792710798 0.61096551287440 32.065 > 57 65 Cu 0.28578626584668 0.16800039458265 0.27519333337122 63.546 > 65 66 Cu 0.78578626584668 0.16800039458265 0.27519333337122 63.546 > 65 67 Cu 0.28578626584668 0.66800039458265 0.27519333337122 63.546 > 65 68 Cu 0.78578626584668 0.66800039458265 0.27519333337122 63.546 > 65 69 Cu 0.28578626584668 0.16800039458265 0.77519333337122 63.546 > 65 70 Cu 0.78578626584668 0.16800039458265 0.77519333337122 63.546 > 65 71 Cu 0.28578626584668 0.66800039458265 0.77519333337122 63.546 > 65 72 Cu 0.78578626584668 0.66800039458265 0.77519333337122 63.546 > 65 73 Cu 0.21421373415332 0.33199960541735 0.22480666662878 63.546 > 73 74 Cu 0.71421373415332 0.33199960541735 0.22480666662878 63.546 > 73 75 Cu 0.21421373415332 0.83199960541735 0.22480666662878 63.546 > 73 76 Cu 0.71421373415332 0.83199960541735 0.22480666662878 63.546 > 73 77 Cu 0.21421373415332 0.33199960541735 0.72480666662878 63.546 > 73 78 Cu 0.71421373415332 0.33199960541735 0.72480666662878 63.546 > 73 79 Cu 0.21421373415332 0.83199960541735 0.72480666662878 63.546 > 73 80 Cu 0.71421373415332 0.83199960541735 0.72480666662878 63.546 > 73 81 Cu 0.21421373415332 0.41800039458265 0.47480666662878 63.546 > 81 82 Cu 0.71421373415332 0.41800039458265 0.47480666662878 63.546 > 81 83 Cu 0.21421373415332 0.91800039458265 0.47480666662878 63.546 > 81 84 Cu 0.71421373415332 0.91800039458265 0.47480666662878 63.546 > 81 85 Cu 0.21421373415332 0.41800039458265 0.97480666662878 63.546 > 81 86 Cu 0.71421373415332 0.41800039458265 0.97480666662878 63.546 > 81 87 Cu 0.21421373415332 0.91800039458265 0.97480666662878 63.546 > 81 88 Cu 0.71421373415332 0.91800039458265 0.97480666662878 63.546 > 81 89 Cu 0.28578626584668 0.08199960541735 0.02519333337122 63.546 > 89 90 Cu 0.78578626584668 0.08199960541735 0.02519333337122 63.546 > 89 91 Cu 0.28578626584668 0.58199960541735 0.02519333337122 63.546 > 89 92 Cu 0.78578626584668 0.58199960541735 0.02519333337122 63.546 > 89 93 Cu 0.28578626584668 0.08199960541735 0.52519333337122 63.546 > 89 94 Cu 0.78578626584668 0.08199960541735 0.52519333337122 63.546 > 89 95 Cu 0.28578626584668 0.58199960541735 0.52519333337122 63.546 > 89 96 Cu 0.78578626584668 0.58199960541735 0.52519333337122 63.546 > 89 97 Sm 0.09549280127938 0.02472603234395 0.15065214386764 150.360 > 97 98 Sm 0.59549280127938 0.02472603234395 0.15065214386764 150.360 > 97 99 Sm 0.09549280127938 0.52472603234395 0.15065214386764 150.360 > 97 100 Sm 0.59549280127938 0.52472603234395 0.15065214386764 150.360 > 97 101 Sm 0.09549280127938 0.02472603234395 0.65065214386764 150.360 > 97 102 Sm 0.59549280127938 0.02472603234395 0.65065214386764 150.360 > 97 103 Sm 0.09549280127938 0.52472603234395 0.65065214386764 150.360 > 97 104 Sm 0.59549280127938 0.52472603234395 0.65065214386764 150.360 > 97 105 Sm 0.40450719872062 0.27472603234395 0.09934785613236 150.360 > 105 106 Sm 0.90450719872062 0.27472603234395 0.09934785613236 150.360 > 105 107 Sm 0.40450719872062 0.77472603234395 0.09934785613236 150.360 > 105 108 Sm 0.90450719872062 0.77472603234395 0.09934785613236 150.360 > 105 109 Sm 0.40450719872062 0.27472603234395 0.59934785613236 150.360 > 105 110 Sm 0.90450719872062 0.27472603234395 0.59934785613236 150.360 > 105 111 Sm 0.40450719872062 0.77472603234395 0.59934785613236 150.360 > 105 112 Sm 0.90450719872062 0.77472603234395 0.59934785613236 150.360 > 105 113 Sm 0.40450719872062 0.47527396765605 0.34934785613236 150.360 > 113 114 Sm 0.90450719872062 0.47527396765605 0.34934785613236 150.360 > 113 115 Sm 0.40450719872062 0.97527396765605 0.34934785613236 150.360 > 113 116 Sm 0.90450719872062 0.97527396765605 0.34934785613236 150.360 > 113 117 Sm 0.40450719872062 0.47527396765605 0.84934785613236 150.360 > 113 118 Sm 0.90450719872062 0.47527396765605 0.84934785613236 150.360 > 113 119 Sm 0.40450719872062 0.97527396765605 0.84934785613236 150.360 > 113 120 Sm 0.90450719872062 0.97527396765605 0.84934785613236 150.360 > 113 121 Sm 0.09549280127938 0.22527396765605 0.40065214386764 150.360 > 121 122 Sm 0.59549280127938 0.22527396765605 0.40065214386764 150.360 > 121 123 Sm 0.09549280127938 0.72527396765605 0.40065214386764 150.360 > 121 124 Sm 0.59549280127938 0.72527396765605 0.40065214386764 150.360 > 121 125 Sm 0.09549280127938 0.22527396765605 0.90065214386764 150.360 > 121 126 Sm 0.59549280127938 0.22527396765605 0.90065214386764 150.360 > 121 127 Sm 0.09549280127938 0.72527396765605 0.90065214386764 150.360 > 121 128 Sm 0.59549280127938 0.72527396765605 0.90065214386764 150.360 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.7008088 0.0000000 0.1580894 0.0000000 10.9630460 0.0000000 0.1580879 0.0000000 11.0932675 -------------------------- Born effective charges -------------------------- 1 S -2.3294099 0.0789047 0.1797788 0.0484547 -2.8714224 0.1905173 -0.0133872 0.2857042 -2.3199863 2 S -2.3294099 -0.0789047 0.1797788 -0.0484547 -2.8714224 -0.1905173 -0.0133872 -0.2857042 -2.3199863 3 S -2.3294099 0.0789047 0.1797788 0.0484547 -2.8714224 0.1905173 -0.0133872 0.2857042 -2.3199863 4 S -2.3294099 -0.0789047 0.1797788 -0.0484547 -2.8714224 -0.1905173 -0.0133872 -0.2857042 -2.3199863 5 S -2.2016100 0.4410182 -0.2790409 0.6255414 -2.4875656 -0.0989101 -0.1046231 -0.1832054 -2.6259955 6 S -2.2016100 -0.4410182 -0.2790409 -0.6255414 -2.4875656 0.0989101 -0.1046231 0.1832054 -2.6259955 7 S -2.2016100 0.4410182 -0.2790409 0.6255414 -2.4875656 -0.0989101 -0.1046231 -0.1832054 -2.6259955 8 S -2.2016100 -0.4410182 -0.2790409 -0.6255414 -2.4875656 0.0989101 -0.1046231 0.1832054 -2.6259955 9 Cu 0.3537680 0.0353084 0.0948947 0.0339310 0.6487016 0.2507783 0.0191752 0.2086914 0.9657759 10 Cu 0.3537680 0.0353084 0.0948947 0.0339310 0.6487016 0.2507783 0.0191752 0.2086914 0.9657759 11 Cu 0.3537680 -0.0353084 0.0948947 -0.0339310 0.6487016 -0.2507783 0.0191752 -0.2086914 0.9657759 12 Cu 0.3537680 -0.0353084 0.0948947 -0.0339310 0.6487016 -0.2507783 0.0191752 -0.2086914 0.9657759 13 Sm 4.1772520 -0.1842563 0.0043674 -0.1850265 4.7102864 0.0107161 0.0988351 0.2891217 3.9802059 14 Sm 4.1772520 0.1842563 0.0043674 0.1850265 4.7102864 -0.0107161 0.0988351 -0.2891217 3.9802059 15 Sm 4.1772520 -0.1842563 0.0043674 -0.1850265 4.7102864 0.0107161 0.0988351 0.2891217 3.9802059 16 Sm 4.1772520 0.1842563 0.0043674 0.1850265 4.7102864 -0.0107161 0.0988351 -0.2891217 3.9802059 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 8 7 8 ] 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: 0.62, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.108 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 24.023 0.000 -1.724) 24.085 0.577 ( 27.739 0.000 2.490) 27.850 0.843 ( 40.172 0.000 10.800) 41.599 2.051 ( 1.631 0.000 -0.321) 1.662 2.184 ( -6.660 0.000 -2.539) 7.128 2.348 ( 1.475 0.000 1.535) 2.129 2.535 ( -0.292 0.000 -0.044) 0.296 2.574 ( -3.779 0.000 -5.709) 6.847 2.648 ( -0.742 0.000 1.675) 1.832 2.666 ( -2.484 0.000 0.957) 2.662 2.811 ( 1.627 0.000 6.772) 6.965 2.980 ( 3.371 0.000 1.499) 3.690 3.026 ( -3.566 0.000 3.141) 4.752 3.071 ( -1.825 0.000 -1.773) 2.544 3.332 ( 3.838 0.000 1.139) 4.004 3.402 ( -6.318 0.000 1.540) 6.503 3.451 ( -3.331 0.000 -1.699) 3.739 3.688 ( 1.192 0.000 -1.588) 1.986 3.812 ( -4.826 0.000 -0.381) 4.842 3.975 ( 0.212 0.000 -8.788) 8.790 4.223 ( 6.469 0.000 1.020) 6.549 4.468 ( -6.357 0.000 0.473) 6.375 4.724 ( -0.697 0.000 -2.355) 2.456 4.871 ( -1.321 0.000 -2.994) 3.272 6.033 ( -4.295 0.000 28.827) 29.145 6.198 ( 1.499 0.000 -1.087) 1.852 6.570 ( 3.902 0.000 -0.279) 3.912 6.647 ( -1.115 0.000 1.163) 1.611 6.785 ( 1.096 0.000 1.847) 2.147 7.075 ( 0.173 0.000 -0.565) 0.591 7.267 ( 1.172 0.000 -7.073) 7.170 7.318 ( 2.207 0.000 3.640) 4.257 7.406 ( -0.289 0.000 2.561) 2.577 7.596 ( -5.497 0.000 -1.761) 5.772 7.686 ( -5.716 0.000 -4.610) 7.343 7.745 ( 3.620 0.000 -3.793) 5.244 7.784 ( -0.996 0.000 0.087) 0.999 8.066 ( 0.452 0.000 -8.429) 8.442 8.385 ( 0.023 0.000 2.648) 2.648 8.529 ( -7.500 0.000 -1.573) 7.663 8.790 ( 1.583 0.000 0.139) 1.589 8.869 ( 5.500 0.000 0.500) 5.523 8.892 ( -2.800 0.000 8.005) 8.481 9.084 ( 1.863 0.000 2.688) 3.270 9.115 ( 1.162 0.000 0.335) 1.210 9.203 ( -1.535 0.000 -2.069) 2.576 9.300 ( 1.747 0.000 0.387) 1.789 9.759 ( -0.150 0.000 -5.786) 5.788 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 22.238 0.000 -0.360) 22.241 1.089 ( 22.850 0.000 2.380) 22.974 1.617 ( 34.175 0.000 10.300) 35.694 2.022 ( -8.780 0.000 -2.664) 9.175 2.089 ( 2.385 0.000 -1.462) 2.797 2.367 ( 0.309 0.000 1.160) 1.201 2.442 ( -7.048 0.000 -6.807) 9.799 2.530 ( -0.023 0.000 -0.250) 0.251 2.641 ( -0.361 0.000 3.473) 3.492 2.649 ( 0.460 0.000 -1.157) 1.245 2.836 ( -0.176 0.000 3.479) 3.484 2.917 ( -8.252 0.000 5.311) 9.814 3.001 ( -4.230 0.000 -5.477) 6.920 3.093 ( 7.135 0.000 3.529) 7.961 3.275 ( -6.578 0.000 1.577) 6.765 3.405 ( -0.337 0.000 -1.840) 1.870 3.430 ( 5.028 0.000 1.590) 5.274 3.685 ( -7.727 0.000 -0.193) 7.729 3.703 ( 0.631 0.000 -1.625) 1.743 3.934 ( -2.472 0.000 -5.812) 6.316 4.292 ( -11.054 0.000 -0.065) 11.054 4.360 ( 6.373 0.000 2.201) 6.742 4.696 ( -1.338 0.000 -3.967) 4.187 4.828 ( -2.357 0.000 -0.930) 2.534 6.021 ( -2.082 0.000 11.985) 12.165 6.233 ( 2.275 0.000 -1.489) 2.719 6.603 ( -0.328 0.000 -2.892) 2.910 6.686 ( 3.936 0.000 4.905) 6.289 6.808 ( 0.698 0.000 1.012) 1.230 7.082 ( 0.628 0.000 -0.294) 0.693 7.281 ( 1.067 0.000 -1.568) 1.897 7.354 ( -7.559 0.000 -2.734) 8.038 7.388 ( 3.817 0.000 4.437) 5.853 7.457 ( -4.341 0.000 0.549) 4.376 7.549 ( -4.868 0.000 -4.535) 6.653 7.818 ( 2.041 0.000 3.627) 4.161 7.836 ( 6.718 0.000 -6.087) 9.066 8.051 ( -0.524 0.000 -2.629) 2.681 8.386 ( -1.082 0.000 4.182) 4.320 8.387 ( -5.534 0.000 -2.580) 6.106 8.773 ( -2.695 0.000 -1.247) 2.970 8.841 ( -3.722 0.000 4.207) 5.617 8.960 ( 2.838 0.000 -0.024) 2.838 9.130 ( 2.673 0.000 -0.855) 2.807 9.158 ( -2.108 0.000 -3.013) 3.677 9.176 ( 3.616 0.000 5.232) 6.360 9.341 ( 2.061 0.000 0.357) 2.092 9.736 ( -0.941 0.000 -2.890) 3.039 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 18.225 0.000 1.036) 18.254 1.472 ( 14.741 0.000 2.677) 14.982 1.844 ( -7.956 0.000 -2.731) 8.412 2.014 ( -2.119 0.000 2.817) 3.524 2.237 ( 6.814 0.000 3.777) 7.791 2.345 ( 7.855 0.000 -5.987) 9.877 2.372 ( 0.097 0.000 0.441) 0.452 2.538 ( 1.041 0.000 -0.761) 1.289 2.660 ( 1.133 0.000 4.826) 4.957 2.698 ( 6.355 0.000 -1.965) 6.652 2.766 ( -6.996 0.000 3.469) 7.809 2.843 ( 1.603 0.000 0.878) 1.828 2.884 ( -5.671 0.000 -5.680) 8.026 3.165 ( -4.354 0.000 0.346) 4.367 3.253 ( 6.188 0.000 4.347) 7.562 3.414 ( 0.893 0.000 -0.517) 1.032 3.425 ( -9.288 0.000 -1.359) 9.387 3.597 ( 2.458 0.000 3.496) 4.274 3.706 ( 0.129 0.000 -1.116) 1.124 3.852 ( -4.295 0.000 -4.641) 6.324 4.062 ( -10.619 0.000 -1.046) 10.670 4.476 ( 4.503 0.000 3.019) 5.421 4.652 ( -1.958 0.000 -4.202) 4.636 4.783 ( -1.777 0.000 -0.228) 1.791 6.012 ( -0.966 0.000 4.970) 5.063 6.272 ( 1.715 0.000 -1.033) 2.003 6.590 ( -0.360 0.000 -0.845) 0.919 6.765 ( 2.626 0.000 2.982) 3.974 6.817 ( 0.160 0.000 -0.379) 0.412 7.096 ( 0.651 0.000 0.282) 0.709 7.189 ( -6.124 0.000 -3.623) 7.115 7.295 ( 0.412 0.000 0.305) 0.513 7.359 ( -4.958 0.000 -0.793) 5.021 7.475 ( 3.373 0.000 2.763) 4.360 7.530 ( 1.801 0.000 -0.430) 1.852 7.833 ( -1.592 0.000 3.152) 3.532 7.972 ( 7.988 0.000 -7.436) 10.914 8.038 ( -0.347 0.000 1.800) 1.833 8.325 ( -0.052 0.000 -1.656) 1.657 8.351 ( -3.734 0.000 3.984) 5.461 8.699 ( -3.760 0.000 -1.366) 4.001 8.778 ( -2.975 0.000 1.791) 3.472 8.988 ( 0.474 0.000 -0.145) 0.495 9.115 ( -1.382 0.000 -2.098) 2.512 9.177 ( 1.962 0.000 -0.901) 2.159 9.252 ( 2.498 0.000 3.598) 4.380 9.377 ( 1.337 0.000 0.173) 1.348 9.712 ( -0.785 0.000 -1.428) 1.629 ======================= Grid point 4 (5/136) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 0.000 -0.000) 0.000 1.671 ( -0.000 0.000 -0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 -0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 -0.000) 0.000 2.726 ( 0.000 0.000 -0.000) 0.000 2.783 ( 0.000 0.000 -0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 -0.000) 0.000 3.102 ( -0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.773 ( -0.000 0.000 -0.000) 0.000 3.940 ( 0.000 0.000 -0.000) 0.000 4.538 ( 0.000 0.000 -0.000) 0.000 4.614 ( 0.000 0.000 -0.000) 0.000 4.764 ( 0.000 0.000 -0.000) 0.000 6.008 ( 0.000 0.000 -0.000) 0.000 6.289 ( 0.000 0.000 -0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 -0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 -0.000) 0.000 7.299 ( 0.000 0.000 -0.000) 0.000 7.304 ( 0.000 0.000 -0.000) 0.000 7.514 ( 0.000 0.000 -0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 -0.000) 0.000 8.021 ( 0.000 0.000 -0.000) 0.000 8.085 ( -0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 -0.000) 0.000 8.336 ( 0.000 0.000 -0.000) 0.000 8.651 ( 0.000 0.000 -0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 -0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 -0.000) 0.000 9.283 ( 0.000 0.000 -0.000) 0.000 9.391 ( 0.000 0.000 -0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/136) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.000 26.528 0.000) 26.528 0.617 ( 0.000 29.762 0.000) 29.762 1.065 ( 0.000 50.589 0.000) 50.589 2.043 ( 0.000 0.781 0.000) 0.781 2.275 ( 0.000 -1.264 0.000) 1.264 2.306 ( 0.000 0.956 0.000) 0.956 2.493 ( 0.000 -3.009 0.000) 3.009 2.602 ( 0.000 -5.701 0.000) 5.701 2.663 ( 0.000 4.083 0.000) 4.083 2.783 ( 0.000 2.879 0.000) 2.879 2.784 ( 0.000 5.632 0.000) 5.632 2.940 ( 0.000 -1.077 0.000) 1.077 2.981 ( 0.000 -7.934 0.000) 7.934 3.021 ( 0.000 -2.981 0.000) 2.981 3.335 ( 0.000 1.712 0.000) 1.712 3.488 ( 0.000 0.002 0.000) 0.002 3.518 ( 0.000 0.746 0.000) 0.746 3.669 ( 0.000 2.407 0.000) 2.407 3.676 ( 0.000 -3.637 0.000) 3.637 3.896 ( 0.000 1.639 0.000) 1.639 4.091 ( 0.000 -5.135 0.000) 5.135 4.524 ( 0.000 -0.548 0.000) 0.548 4.624 ( 0.000 -10.199 0.000) 10.199 4.840 ( 0.000 -3.089 0.000) 3.089 5.933 ( 0.000 4.501 0.000) 4.501 6.568 ( 0.000 3.186 0.000) 3.186 6.676 ( 0.000 1.164 0.000) 1.164 6.717 ( 0.000 -4.000 0.000) 4.000 6.802 ( 0.000 -2.062 0.000) 2.062 7.086 ( 0.000 0.974 0.000) 0.974 7.204 ( 0.000 -5.826 0.000) 5.826 7.285 ( 0.000 0.671 0.000) 0.671 7.482 ( 0.000 1.472 0.000) 1.472 7.501 ( 0.000 5.622 0.000) 5.622 7.679 ( 0.000 -0.222 0.000) 0.222 7.753 ( 0.000 0.199 0.000) 0.199 7.937 ( 0.000 9.450 0.000) 9.450 8.343 ( 0.000 -2.994 0.000) 2.994 8.471 ( 0.000 1.956 0.000) 1.956 8.573 ( 0.000 -5.646 0.000) 5.646 8.652 ( 0.000 -1.032 0.000) 1.032 8.796 ( 0.000 -1.111 0.000) 1.111 8.945 ( 0.000 -0.318 0.000) 0.318 9.034 ( 0.000 -2.465 0.000) 2.465 9.103 ( 0.000 -0.321 0.000) 0.321 9.203 ( 0.000 -1.619 0.000) 1.619 9.436 ( 0.000 2.333 0.000) 2.333 9.588 ( 0.000 1.305 0.000) 1.305 ======================= Grid point 10 (7/136) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 15.448 17.963 6.143) 24.476 0.743 ( 14.007 21.449 0.450) 25.622 1.365 ( 23.508 36.948 3.903) 43.966 2.058 ( 1.288 1.010 -0.445) 1.697 2.216 ( -4.209 2.615 -2.749) 5.667 2.333 ( 1.008 -1.379 1.684) 2.399 2.485 ( -0.994 -3.510 -0.412) 3.671 2.578 ( -1.727 -3.561 -1.032) 4.090 2.642 ( -1.771 2.767 -2.338) 4.032 2.714 ( -3.475 3.385 0.374) 4.866 2.836 ( 1.071 1.897 3.385) 4.025 2.969 ( 0.607 -3.056 1.420) 3.424 2.973 ( -0.430 -4.032 3.034) 5.064 3.008 ( -0.406 -2.498 -0.649) 2.613 3.328 ( 1.463 -0.147 0.343) 1.510 3.397 ( -7.371 -0.821 2.080) 7.702 3.494 ( -2.479 2.855 -2.258) 4.404 3.659 ( 0.275 -2.919 -1.721) 3.400 3.772 ( 2.595 -2.475 -0.903) 3.698 3.897 ( 0.884 -0.882 -2.569) 2.856 4.179 ( 7.003 -4.455 0.795) 8.338 4.469 ( -5.252 -0.130 -0.455) 5.273 4.635 ( 0.945 -8.066 -1.200) 8.209 4.826 ( -1.456 -3.513 -0.019) 3.802 5.956 ( 1.367 2.462 4.708) 5.486 6.581 ( -12.439 10.667 4.075) 16.885 6.614 ( 3.438 3.172 -0.227) 4.684 6.657 ( -0.693 0.411 -0.797) 1.133 6.761 ( 1.475 -0.285 4.435) 4.683 7.073 ( -0.540 0.122 1.548) 1.644 7.211 ( 0.487 -5.453 1.020) 5.569 7.303 ( 1.537 0.729 0.277) 1.723 7.438 ( -0.407 2.630 -2.340) 3.544 7.555 ( -1.526 -0.417 0.461) 1.648 7.692 ( -1.490 -0.527 -0.203) 1.593 7.702 ( -1.581 0.831 -4.666) 4.996 7.923 ( -0.091 8.950 -1.567) 9.087 8.254 ( -7.769 7.220 -6.360) 12.366 8.367 ( -0.954 -0.432 1.148) 1.554 8.544 ( -7.318 0.227 -2.488) 7.733 8.662 ( 2.121 -8.130 1.912) 8.617 8.833 ( 2.612 -1.678 -0.070) 3.105 8.943 ( 0.656 1.444 3.946) 4.253 9.057 ( 1.578 -2.654 2.751) 4.136 9.111 ( 0.896 -0.774 1.049) 1.582 9.178 ( -1.621 -0.796 -0.692) 1.934 9.389 ( -0.694 5.420 -0.425) 5.481 9.678 ( 3.227 -4.310 -3.474) 6.408 ======================= Grid point 11 (8/136) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 18.497 12.836 -0.520) 22.521 1.126 ( 20.516 5.800 4.478) 21.785 1.827 ( 16.686 14.239 8.575) 23.552 2.048 ( -3.017 4.896 -1.619) 5.974 2.157 ( 1.589 5.568 -2.611) 6.352 2.356 ( 1.677 -0.513 1.134) 2.088 2.431 ( -4.565 -1.741 -3.615) 6.077 2.538 ( -1.423 0.716 -2.380) 2.863 2.606 ( -0.568 -2.338 1.746) 2.973 2.669 ( -0.941 0.833 0.139) 1.265 2.835 ( -2.514 -1.799 -0.502) 3.132 2.889 ( -4.906 -0.531 6.256) 7.967 2.962 ( -1.943 -2.302 -3.193) 4.390 3.091 ( 6.004 -0.368 2.482) 6.507 3.252 ( -6.559 -1.346 2.891) 7.294 3.374 ( 1.736 -2.216 -0.719) 2.905 3.467 ( 1.329 1.406 -1.963) 2.756 3.660 ( -0.234 -1.173 -1.379) 1.825 3.745 ( -3.280 3.481 0.184) 4.787 3.891 ( -1.345 -3.498 -3.672) 5.247 4.313 ( -2.192 -0.407 -0.091) 2.231 4.326 ( -1.007 -1.289 0.903) 1.869 4.645 ( 0.344 -4.705 -2.946) 5.562 4.788 ( -2.017 -3.375 0.110) 3.933 5.996 ( 1.227 1.292 4.827) 5.146 6.414 ( -5.130 10.389 1.037) 11.633 6.640 ( 0.194 3.118 -2.094) 3.761 6.712 ( 4.161 1.244 3.230) 5.412 6.802 ( 1.427 0.889 3.200) 3.615 7.071 ( -0.110 -0.801 1.075) 1.346 7.226 ( 0.744 -4.887 1.221) 5.091 7.321 ( -2.375 0.141 -2.084) 3.163 7.417 ( -0.463 1.059 0.361) 1.211 7.471 ( -4.629 0.722 0.500) 4.712 7.583 ( -3.428 3.337 -4.117) 6.312 7.751 ( 3.040 -2.228 0.048) 3.770 7.951 ( 3.039 6.708 -1.302) 7.478 8.143 ( -2.374 6.341 -4.458) 8.107 8.354 ( -1.812 -2.136 2.979) 4.089 8.405 ( -5.303 0.890 -2.018) 5.743 8.656 ( -2.755 -8.208 1.010) 8.717 8.859 ( 0.110 -0.775 -0.590) 0.980 8.978 ( 1.109 1.471 1.829) 2.595 9.084 ( 0.272 -3.787 -0.378) 3.815 9.140 ( 0.030 -1.024 -0.266) 1.059 9.171 ( 2.767 -0.439 3.726) 4.662 9.397 ( 1.100 4.011 -0.313) 4.171 9.692 ( -0.241 -3.539 -2.760) 4.494 ======================= Grid point 12 (9/136) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 15.114 7.666 1.063) 16.980 1.512 ( 16.847 3.368 1.784) 17.273 1.858 ( -6.458 2.136 -0.267) 6.807 2.073 ( -0.432 4.129 3.186) 5.233 2.185 ( -1.392 -3.446 0.784) 3.799 2.300 ( -4.711 0.278 -4.361) 6.426 2.462 ( 5.170 2.623 1.321) 5.946 2.531 ( 1.745 -0.396 -0.634) 1.898 2.622 ( 0.556 -2.007 1.975) 2.870 2.689 ( 2.209 -3.070 -1.454) 4.052 2.729 ( -5.623 -1.403 1.749) 6.053 2.879 ( 2.774 0.966 0.263) 2.949 2.902 ( -2.319 2.408 -1.521) 3.673 3.129 ( -1.695 -2.317 0.717) 2.959 3.272 ( 6.801 2.656 3.146) 7.950 3.378 ( -0.769 -2.332 -2.858) 3.768 3.492 ( -1.489 2.975 -0.126) 3.329 3.635 ( -0.604 4.016 1.926) 4.495 3.708 ( 0.200 0.934 -0.611) 1.134 3.837 ( -2.590 -1.987 -2.118) 3.891 4.103 ( -11.060 4.430 -1.912) 12.066 4.431 ( 4.253 -4.438 2.455) 6.619 4.624 ( -1.585 -2.637 -3.485) 4.649 4.760 ( -0.718 -2.112 0.239) 2.243 6.024 ( 0.575 1.990 2.887) 3.554 6.355 ( -1.421 6.351 -0.363) 6.518 6.642 ( 0.351 4.410 -0.752) 4.487 6.785 ( 2.333 0.435 1.761) 2.956 6.831 ( 0.868 2.759 1.567) 3.290 7.072 ( -0.027 -2.035 0.721) 2.159 7.205 ( -4.874 2.450 -3.257) 6.353 7.245 ( 0.311 -4.359 1.204) 4.533 7.356 ( -4.654 -0.079 -1.582) 4.916 7.480 ( 3.024 0.718 2.304) 3.869 7.570 ( 1.493 3.570 -0.542) 3.908 7.778 ( -0.934 -3.656 1.355) 4.009 8.029 ( 5.310 3.738 -2.539) 6.972 8.119 ( 0.188 6.461 -2.387) 6.890 8.311 ( -3.197 -3.047 3.414) 5.582 8.340 ( -0.432 0.734 -1.216) 1.485 8.575 ( -5.123 -7.830 0.223) 9.359 8.850 ( -0.608 2.538 0.043) 2.610 8.990 ( 0.322 0.344 -0.169) 0.500 9.056 ( -1.913 -4.108 -1.015) 4.644 9.164 ( 1.690 -1.348 -0.722) 2.279 9.237 ( 2.131 -1.463 3.462) 4.320 9.420 ( 1.050 3.117 -0.052) 3.290 9.674 ( -0.763 -3.376 -1.583) 3.806 ======================= Grid point 13 (10/136) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 4.166 0.000) 4.166 1.733 ( 0.000 2.529 -0.000) 2.529 1.770 ( 0.000 7.630 0.000) 7.630 1.991 ( 0.000 6.055 -0.000) 6.055 2.181 ( 0.000 -13.072 0.000) 13.072 2.245 ( -0.000 0.363 -0.000) 0.363 2.495 ( 0.000 -1.161 -0.000) 1.161 2.579 ( 0.000 2.327 0.000) 2.327 2.637 ( 0.000 -5.681 0.000) 5.681 2.652 ( 0.000 -4.504 -0.000) 4.504 2.693 ( 0.000 -0.008 -0.000) 0.008 2.877 ( 0.000 4.117 0.000) 4.117 2.950 ( 0.000 -5.833 -0.000) 5.833 3.141 ( 0.000 -0.119 -0.000) 0.119 3.337 ( 0.000 6.431 -0.000) 6.431 3.379 ( 0.000 8.152 0.000) 8.152 3.431 ( 0.000 1.235 -0.000) 1.235 3.659 ( 0.000 -1.907 0.000) 1.907 3.713 ( 0.000 0.753 -0.000) 0.753 3.817 ( 0.000 4.505 0.000) 4.505 3.949 ( 0.000 2.173 0.000) 2.173 4.486 ( 0.000 -4.812 0.000) 4.812 4.591 ( 0.000 -2.114 -0.000) 2.114 4.755 ( 0.000 -1.088 0.000) 1.088 6.034 ( 0.000 2.559 -0.000) 2.559 6.342 ( 0.000 4.626 0.000) 4.626 6.646 ( 0.000 4.974 -0.000) 4.974 6.810 ( 0.000 -0.171 0.000) 0.171 6.842 ( 0.000 3.863 0.000) 3.863 7.074 ( 0.000 -2.948 0.000) 2.948 7.149 ( 0.000 3.575 -0.000) 3.575 7.252 ( 0.000 -4.235 0.000) 4.235 7.303 ( 0.000 0.115 -0.000) 0.115 7.517 ( 0.000 0.565 0.000) 0.565 7.594 ( 0.000 3.577 0.000) 3.577 7.756 ( 0.000 -4.198 -0.000) 4.198 8.107 ( -0.000 2.427 -0.000) 2.427 8.117 ( 0.000 6.791 0.000) 6.791 8.256 ( 0.000 -3.335 -0.000) 3.335 8.366 ( -0.000 2.558 -0.000) 2.558 8.500 ( 0.000 -9.941 -0.000) 9.941 8.843 ( 0.000 4.163 -0.000) 4.163 8.996 ( 0.000 0.506 -0.000) 0.506 9.031 ( 0.000 -5.065 0.000) 5.065 9.181 ( 0.000 -1.464 -0.000) 1.464 9.263 ( 0.000 -1.860 0.000) 1.860 9.431 ( 0.000 2.914 -0.000) 2.914 9.663 ( 0.000 -3.487 0.000) 3.487 ======================= Grid point 18 (11/136) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 23.874 0.000) 23.874 1.198 ( 0.000 27.224 0.000) 27.224 1.920 ( 0.000 15.866 0.000) 15.866 2.126 ( 0.000 21.020 0.000) 21.020 2.249 ( 0.000 -0.645 0.000) 0.645 2.336 ( 0.000 1.714 0.000) 1.714 2.437 ( 0.000 -2.269 0.000) 2.269 2.453 ( 0.000 -7.635 0.000) 7.635 2.705 ( 0.000 -9.784 0.000) 9.784 2.761 ( 0.000 5.230 0.000) 5.230 2.893 ( 0.000 1.845 0.000) 1.845 2.929 ( 0.000 0.016 0.000) 0.016 2.950 ( 0.000 5.228 0.000) 5.228 2.977 ( 0.000 1.921 0.000) 1.921 3.324 ( 0.000 -2.704 0.000) 2.704 3.497 ( 0.000 1.110 0.000) 1.110 3.533 ( 0.000 0.775 0.000) 0.775 3.625 ( 0.000 -1.157 0.000) 1.157 3.718 ( 0.000 1.849 0.000) 1.849 3.904 ( 0.000 -0.781 0.000) 0.781 3.948 ( 0.000 -8.476 0.000) 8.476 4.332 ( 0.000 -18.280 0.000) 18.280 4.520 ( 0.000 0.419 0.000) 0.419 4.745 ( 0.000 -5.790 0.000) 5.790 6.054 ( 0.000 7.027 0.000) 7.027 6.533 ( 0.000 -6.933 0.000) 6.933 6.702 ( 0.000 1.146 0.000) 1.146 6.712 ( 0.000 2.749 0.000) 2.749 6.764 ( 0.000 -0.339 0.000) 0.339 7.026 ( 0.000 -5.928 0.000) 5.928 7.196 ( 0.000 4.308 0.000) 4.308 7.317 ( 0.000 2.383 0.000) 2.383 7.521 ( 0.000 2.167 0.000) 2.167 7.595 ( 0.000 3.308 0.000) 3.308 7.707 ( 0.000 2.211 0.000) 2.211 7.752 ( 0.000 -0.476 0.000) 0.476 8.141 ( 0.000 10.222 0.000) 10.222 8.278 ( 0.000 -2.875 0.000) 2.875 8.437 ( 0.000 -7.041 0.000) 7.041 8.518 ( 0.000 2.711 0.000) 2.711 8.611 ( 0.000 -3.129 0.000) 3.129 8.752 ( 0.000 -3.451 0.000) 3.451 8.938 ( 0.000 -0.341 0.000) 0.341 8.977 ( 0.000 -2.597 0.000) 2.597 9.098 ( 0.000 -0.070 0.000) 0.070 9.164 ( 0.000 -2.051 0.000) 2.051 9.494 ( 0.000 3.134 0.000) 3.134 9.609 ( 0.000 0.398 0.000) 0.398 ======================= Grid point 19 (12/136) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 7.287 21.402 3.636) 22.899 1.227 ( 4.095 24.490 1.790) 24.895 1.955 ( 1.859 6.880 3.261) 7.837 2.200 ( 5.560 17.519 -1.706) 18.459 2.259 ( 0.788 0.056 -0.183) 0.810 2.318 ( -1.968 1.700 -0.066) 2.601 2.423 ( 0.312 0.452 -0.263) 0.609 2.465 ( 0.987 -4.525 0.522) 4.660 2.677 ( -2.866 -7.843 1.362) 8.461 2.731 ( -2.641 5.159 -3.667) 6.859 2.862 ( -2.180 1.096 0.126) 2.443 2.936 ( 0.508 0.377 1.348) 1.489 2.963 ( -1.413 2.692 0.431) 3.070 3.003 ( 4.178 3.805 0.597) 5.683 3.302 ( -0.878 -2.634 -0.116) 2.779 3.380 ( -8.329 -0.617 2.990) 8.871 3.520 ( -5.877 -2.038 -3.143) 6.969 3.610 ( 3.683 0.833 -1.208) 3.965 3.759 ( 2.643 -0.602 -0.709) 2.802 3.896 ( -0.692 0.271 -0.313) 0.806 4.056 ( 7.427 -7.231 1.175) 10.432 4.352 ( 1.735 -14.241 -2.349) 14.537 4.521 ( 0.107 0.134 1.049) 1.063 4.734 ( -1.110 -5.255 0.288) 5.379 6.061 ( 0.568 6.840 1.149) 6.959 6.548 ( 0.516 -7.207 0.608) 7.251 6.683 ( -1.674 2.190 -0.976) 2.924 6.711 ( 1.016 4.026 -0.133) 4.154 6.793 ( 2.258 1.468 3.720) 4.592 7.035 ( 0.447 -5.511 3.109) 6.344 7.169 ( -2.293 3.729 1.584) 4.656 7.346 ( 2.463 2.839 0.758) 3.834 7.496 ( -2.168 2.517 -1.980) 3.868 7.567 ( -3.066 0.909 -1.130) 3.391 7.700 ( -1.742 1.203 0.654) 2.215 7.736 ( -0.107 1.922 -3.125) 3.670 8.112 ( -1.759 9.363 -1.644) 9.667 8.261 ( -1.870 -2.525 0.017) 3.142 8.405 ( -2.946 -0.359 -3.063) 4.265 8.451 ( -4.279 -5.261 0.071) 6.782 8.591 ( -2.384 -0.550 -2.078) 3.210 8.774 ( 1.551 -4.369 -1.496) 4.871 8.960 ( 1.827 0.353 3.204) 3.705 8.998 ( 1.409 -2.366 3.304) 4.302 9.097 ( 0.281 -0.343 1.354) 1.425 9.160 ( -0.484 -1.241 -0.492) 1.420 9.480 ( -0.807 3.626 -0.574) 3.759 9.623 ( 0.922 -1.652 -1.907) 2.687 ======================= Grid point 20 (13/136) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 10.716 14.249 3.906) 18.252 1.402 ( 11.771 17.362 1.066) 21.003 1.981 ( -0.632 2.996 4.271) 5.255 2.186 ( -6.021 0.953 1.054) 6.187 2.258 ( -0.771 3.558 -1.532) 3.949 2.320 ( 1.775 -5.699 2.579) 6.502 2.416 ( -2.150 -1.977 -0.250) 2.931 2.562 ( 7.074 7.896 -1.967) 10.782 2.602 ( -4.327 -3.505 -3.943) 6.823 2.663 ( -2.372 4.982 0.204) 5.522 2.806 ( -3.748 0.237 2.016) 4.262 2.918 ( -2.662 2.750 -0.702) 3.891 2.952 ( 0.824 0.855 -0.451) 1.270 3.091 ( 1.286 1.088 2.392) 2.926 3.256 ( -0.309 2.937 3.403) 4.506 3.310 ( 0.572 -4.327 -1.339) 4.565 3.434 ( -1.143 -4.969 -3.474) 6.169 3.677 ( 3.189 2.925 -1.160) 4.479 3.789 ( 0.812 -2.325 -1.168) 2.726 3.865 ( -2.608 4.185 0.594) 4.966 4.195 ( 6.077 -7.786 1.744) 10.029 4.343 ( -2.964 -2.470 -3.259) 5.050 4.541 ( 1.670 -3.373 -0.009) 3.764 4.707 ( -1.359 -4.332 0.500) 4.567 6.081 ( 1.025 6.286 1.399) 6.521 6.514 ( -3.313 -1.838 -1.142) 3.957 6.691 ( 2.155 2.813 1.244) 3.755 6.748 ( 2.358 3.547 0.552) 4.295 6.852 ( 2.446 1.941 3.432) 4.640 7.055 ( 0.282 -2.939 4.663) 5.519 7.132 ( -1.503 -0.705 0.967) 1.921 7.384 ( -2.089 4.239 -2.173) 5.202 7.436 ( -0.917 1.342 -2.078) 2.638 7.482 ( -3.446 0.241 0.239) 3.463 7.652 ( -2.173 2.592 0.760) 3.467 7.742 ( 0.815 2.125 -2.247) 3.198 8.089 ( -0.227 6.067 -1.753) 6.319 8.206 ( -2.423 -0.167 -2.488) 3.477 8.340 ( -2.917 0.867 1.847) 3.560 8.377 ( -3.157 -5.244 -3.099) 6.861 8.528 ( -3.265 -2.025 -0.039) 3.843 8.790 ( 0.831 -5.980 -2.409) 6.500 9.006 ( 1.085 0.880 3.058) 3.362 9.028 ( 0.759 -0.869 1.145) 1.625 9.116 ( 0.310 -1.157 0.697) 1.386 9.157 ( 1.148 -1.012 2.026) 2.539 9.469 ( -0.086 2.915 -0.558) 2.969 9.621 ( -0.606 -3.200 -2.341) 4.011 ======================= Grid point 21 (14/136) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 13.116 5.769 2.404) 14.529 1.638 ( 11.310 11.803 -0.436) 16.353 1.939 ( -4.136 5.408 2.425) 7.227 2.069 ( -5.639 -3.240 3.159) 7.230 2.217 ( -3.720 3.853 -0.679) 5.398 2.311 ( -4.291 -0.343 -2.643) 5.052 2.394 ( 1.908 -8.171 4.312) 9.434 2.515 ( -2.398 -2.939 -4.846) 6.153 2.584 ( -1.915 -1.288 -0.704) 2.413 2.680 ( 0.569 5.572 -0.856) 5.665 2.748 ( -2.145 2.394 0.791) 3.310 2.865 ( -2.163 -0.606 3.546) 4.197 2.962 ( 0.223 2.779 -0.797) 2.900 3.080 ( 0.666 -2.592 1.026) 2.866 3.280 ( -1.699 -5.346 -2.219) 6.033 3.397 ( 7.426 5.764 -0.961) 9.450 3.460 ( 4.236 -5.613 -0.203) 7.035 3.706 ( -0.824 -0.367 -1.758) 1.976 3.800 ( -3.372 7.603 1.939) 8.540 3.835 ( 5.165 5.740 0.548) 7.741 4.216 ( -8.566 5.227 -2.379) 10.313 4.305 ( 4.371 -7.433 1.277) 8.717 4.554 ( -0.588 -3.806 -1.652) 4.190 4.698 ( 0.330 -4.086 0.689) 4.157 6.104 ( 0.868 5.633 0.869) 5.765 6.450 ( -2.436 1.133 -0.972) 2.857 6.736 ( 1.585 4.646 0.336) 4.920 6.797 ( 2.050 1.807 1.322) 3.036 6.903 ( 2.214 2.664 1.869) 3.936 7.043 ( -2.362 0.684 1.844) 3.074 7.132 ( 0.934 -6.164 1.529) 6.419 7.293 ( -3.566 4.172 -1.831) 5.786 7.359 ( -4.087 0.366 -2.776) 4.954 7.526 ( 3.511 4.115 1.708) 5.672 7.632 ( -0.344 -0.350 1.797) 1.863 7.734 ( -1.421 2.754 -1.053) 3.273 8.090 ( 1.300 0.025 -2.293) 2.637 8.191 ( 0.962 0.867 -2.666) 2.963 8.291 ( -2.441 -0.442 2.895) 3.812 8.316 ( -1.953 -1.905 -2.310) 3.575 8.464 ( -3.231 -1.088 1.072) 3.574 8.805 ( 1.142 -6.898 -1.406) 7.131 9.015 ( -0.483 1.783 1.411) 2.324 9.018 ( -1.370 0.980 -0.561) 1.775 9.129 ( 1.172 -1.937 -0.493) 2.317 9.196 ( 1.210 -2.475 2.842) 3.958 9.473 ( 0.408 1.863 -0.122) 1.911 9.596 ( -1.054 -3.773 -1.668) 4.258 ======================= Grid point 22 (15/136) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 9.386 0.000) 9.386 1.811 ( 0.000 3.252 -0.000) 3.252 1.910 ( 0.000 4.551 -0.000) 4.551 1.948 ( -0.000 -3.893 -0.000) 3.893 2.151 ( 0.000 5.461 -0.000) 5.461 2.256 ( 0.000 0.718 0.000) 0.718 2.435 ( -0.000 -5.288 -0.000) 5.288 2.487 ( 0.000 -10.110 0.000) 10.110 2.555 ( -0.000 0.688 -0.000) 0.688 2.677 ( 0.000 5.674 -0.000) 5.674 2.719 ( 0.000 0.997 0.000) 0.997 2.856 ( 0.000 -2.277 -0.000) 2.277 2.961 ( 0.000 3.888 -0.000) 3.888 3.105 ( 0.000 -2.933 -0.000) 2.933 3.250 ( 0.000 -6.538 -0.000) 6.538 3.452 ( 0.000 -2.994 0.000) 2.994 3.561 ( 0.000 -3.774 0.000) 3.774 3.660 ( 0.000 5.903 0.000) 5.903 3.765 ( 0.000 8.123 -0.000) 8.123 3.969 ( -0.000 10.456 -0.000) 10.456 4.047 ( 0.000 6.393 0.000) 6.393 4.358 ( 0.000 -7.417 0.000) 7.417 4.535 ( 0.000 -3.075 -0.000) 3.075 4.706 ( 0.000 -4.054 0.000) 4.054 6.114 ( 0.000 5.341 -0.000) 5.341 6.423 ( 0.000 1.553 0.000) 1.553 6.751 ( 0.000 5.119 -0.000) 5.119 6.821 ( 0.000 1.498 0.000) 1.498 6.941 ( 0.000 6.450 -0.000) 6.450 7.005 ( 0.000 -3.356 0.000) 3.356 7.146 ( 0.000 -5.835 0.000) 5.835 7.258 ( 0.000 5.226 -0.000) 5.226 7.310 ( 0.000 0.507 -0.000) 0.507 7.569 ( 0.000 6.194 0.000) 6.194 7.635 ( 0.000 -8.233 -0.000) 8.233 7.707 ( 0.000 7.480 0.000) 7.480 8.118 ( 0.000 -6.409 -0.000) 6.409 8.185 ( 0.000 5.038 -0.000) 5.038 8.277 ( -0.000 1.895 0.000) 1.895 8.297 ( 0.000 -7.045 0.000) 7.045 8.424 ( 0.000 2.985 -0.000) 2.985 8.817 ( 0.000 -7.193 -0.000) 7.193 8.995 ( 0.000 2.350 0.000) 2.350 9.014 ( 0.000 1.357 -0.000) 1.357 9.142 ( 0.000 -2.146 -0.000) 2.146 9.211 ( 0.000 -3.135 0.000) 3.135 9.478 ( 0.000 1.470 0.000) 1.470 9.582 ( 0.000 -3.963 -0.000) 3.963 ======================= Grid point 27 (16/136) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 19.305 0.000) 19.305 1.714 ( 0.000 23.239 0.000) 23.239 1.833 ( 0.000 -12.110 0.000) 12.110 2.125 ( 0.000 -16.336 0.000) 16.336 2.283 ( 0.000 1.896 0.000) 1.896 2.336 ( 0.000 -2.256 0.000) 2.256 2.436 ( 0.000 2.772 0.000) 2.772 2.528 ( 0.000 -6.173 0.000) 6.173 2.727 ( 0.000 13.602 0.000) 13.602 2.839 ( 0.000 -0.725 0.000) 0.725 2.877 ( 0.000 1.952 0.000) 1.952 2.920 ( 0.000 -0.848 0.000) 0.848 3.097 ( 0.000 6.904 0.000) 6.904 3.185 ( 0.000 14.634 0.000) 14.634 3.249 ( 0.000 2.201 0.000) 2.201 3.531 ( 0.000 1.302 0.000) 1.302 3.594 ( 0.000 5.374 0.000) 5.374 3.600 ( 0.000 -1.245 0.000) 1.245 3.677 ( 0.000 -10.271 0.000) 10.271 3.767 ( 0.000 -9.739 0.000) 9.739 3.881 ( 0.000 -0.891 0.000) 0.891 3.946 ( 0.000 -13.307 0.000) 13.307 4.549 ( 0.000 2.653 0.000) 2.653 4.629 ( 0.000 -5.087 0.000) 5.087 6.207 ( 0.000 7.903 0.000) 7.903 6.372 ( 0.000 -8.233 0.000) 8.233 6.716 ( 0.000 0.215 0.000) 0.215 6.718 ( 0.000 -0.324 0.000) 0.324 6.825 ( 0.000 4.103 0.000) 4.103 6.913 ( 0.000 -4.872 0.000) 4.872 7.299 ( 0.000 4.740 0.000) 4.740 7.352 ( 0.000 0.010 0.000) 0.010 7.571 ( 0.000 2.899 0.000) 2.899 7.621 ( 0.000 -1.033 0.000) 1.033 7.739 ( 0.000 0.584 0.000) 0.584 7.741 ( 0.000 -0.184 0.000) 0.184 8.251 ( 0.000 0.678 0.000) 0.678 8.311 ( 0.000 -4.957 0.000) 4.957 8.344 ( 0.000 9.598 0.000) 9.598 8.514 ( 0.000 -6.676 0.000) 6.676 8.582 ( 0.000 3.560 0.000) 3.560 8.664 ( 0.000 -4.553 0.000) 4.553 8.934 ( 0.000 -0.017 0.000) 0.017 8.942 ( 0.000 -0.935 0.000) 0.935 9.103 ( 0.000 0.650 0.000) 0.650 9.126 ( 0.000 -1.586 0.000) 1.586 9.555 ( 0.000 2.734 0.000) 2.734 9.599 ( 0.000 -1.393 0.000) 1.393 ======================= Grid point 28 (17/136) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 4.610 18.236 2.519) 18.978 1.702 ( -0.832 21.643 2.188) 21.769 1.868 ( 3.197 -10.872 1.751) 11.467 2.095 ( -3.314 -15.992 1.401) 16.392 2.273 ( -0.760 2.350 0.889) 2.625 2.339 ( -0.044 -2.901 0.152) 2.906 2.416 ( -1.884 3.208 -0.816) 3.809 2.513 ( -1.501 -5.957 0.152) 6.145 2.740 ( 0.684 8.716 -1.641) 8.896 2.813 ( -2.334 -0.205 -0.257) 2.357 2.879 ( 0.443 3.636 -0.570) 3.707 2.931 ( 1.227 -0.894 -1.530) 2.156 3.069 ( -2.705 7.234 -0.593) 7.746 3.205 ( -0.496 -1.396 -0.051) 1.482 3.264 ( 3.229 16.431 -0.029) 16.746 3.385 ( -9.045 1.616 2.603) 9.550 3.446 ( -9.639 -3.663 -1.217) 10.383 3.660 ( -1.137 -11.323 0.399) 11.387 3.692 ( 6.136 5.825 -1.804) 8.650 3.862 ( 5.554 -8.868 1.813) 10.620 3.940 ( 4.936 0.994 -0.585) 5.069 4.049 ( 8.160 -10.984 -1.384) 13.753 4.555 ( 0.305 2.748 0.390) 2.792 4.630 ( -0.082 -4.578 0.351) 4.592 6.215 ( 0.642 8.085 0.481) 8.125 6.384 ( 0.907 -8.435 0.497) 8.498 6.723 ( 1.421 1.920 -0.185) 2.396 6.752 ( 2.538 -0.364 2.006) 3.256 6.834 ( 0.810 3.213 0.912) 3.437 6.919 ( 0.310 -5.107 1.714) 5.396 7.285 ( -1.708 6.204 1.564) 6.622 7.374 ( 1.626 -1.449 1.756) 2.798 7.536 ( -3.151 2.037 -2.436) 4.473 7.573 ( -3.917 -0.853 -3.521) 5.336 7.734 ( -0.381 2.017 1.655) 2.636 7.760 ( 1.542 -0.031 -0.377) 1.588 8.222 ( -2.887 0.703 -1.924) 3.540 8.285 ( -2.293 -5.383 -3.088) 6.616 8.305 ( -2.449 7.804 1.079) 8.250 8.429 ( -5.409 -3.019 0.324) 6.203 8.595 ( -0.707 1.693 -3.293) 3.769 8.669 ( -0.068 -5.153 -2.320) 5.652 8.963 ( 2.324 0.127 3.236) 3.986 8.970 ( 2.271 -0.665 3.398) 4.141 9.102 ( 0.007 0.879 0.609) 1.069 9.129 ( 0.133 -1.621 -0.142) 1.633 9.544 ( -0.984 2.712 -0.723) 2.974 9.590 ( -0.748 -1.878 -1.099) 2.301 ======================= Grid point 29 (18/136) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 3.223 16.809 3.879) 17.549 1.743 ( 5.924 15.251 1.753) 16.455 1.958 ( 4.825 -7.861 3.341) 9.810 2.014 ( -4.674 -12.975 1.928) 13.925 2.253 ( -2.028 0.819 1.846) 2.862 2.325 ( -1.985 -4.722 0.321) 5.132 2.362 ( -2.849 5.066 -1.447) 5.990 2.469 ( -2.818 -5.775 -0.751) 6.470 2.716 ( -2.423 4.018 -3.302) 5.738 2.761 ( -2.522 -0.251 -0.008) 2.534 2.896 ( 0.773 6.550 0.650) 6.627 2.954 ( 0.850 -1.016 -0.118) 1.330 2.994 ( -3.557 6.443 -3.663) 8.221 3.133 ( -6.789 -0.578 0.803) 6.861 3.210 ( -3.825 -2.483 0.517) 4.590 3.297 ( -4.544 -7.153 0.409) 8.484 3.423 ( 7.551 12.478 -0.047) 14.585 3.649 ( 0.134 -7.818 -0.558) 7.839 3.818 ( 6.859 6.948 -1.033) 9.818 3.960 ( 3.381 -0.720 2.662) 4.363 4.047 ( 5.965 -1.215 -1.204) 6.205 4.192 ( 5.925 -9.777 -2.492) 11.701 4.551 ( -1.078 2.832 0.684) 3.106 4.622 ( -0.926 -3.939 0.535) 4.081 6.230 ( 0.696 8.087 0.287) 8.122 6.396 ( 0.084 -7.851 -0.269) 7.856 6.774 ( 3.397 4.384 1.294) 5.695 6.817 ( 2.868 2.124 1.816) 4.005 6.858 ( 1.292 -0.033 1.164) 1.739 6.937 ( 1.226 -6.230 3.107) 7.069 7.236 ( -3.590 8.011 2.099) 9.026 7.384 ( -2.803 -4.869 1.462) 5.806 7.469 ( -1.689 0.805 -3.916) 4.340 7.475 ( -3.758 -0.202 -3.163) 4.916 7.734 ( -0.012 5.624 2.111) 6.007 7.797 ( 2.049 0.838 0.805) 2.355 8.134 ( -4.925 0.405 -3.213) 5.894 8.201 ( -4.306 -5.041 -5.481) 8.602 8.290 ( -0.085 3.861 3.114) 4.961 8.358 ( -1.615 -1.073 0.445) 1.989 8.543 ( -2.857 2.694 -2.610) 4.715 8.645 ( -1.149 -7.084 -2.460) 7.586 9.018 ( 1.890 0.859 2.236) 3.051 9.032 ( 2.750 -0.054 2.803) 3.927 9.105 ( -0.357 0.399 0.267) 0.598 9.130 ( 0.138 -1.600 1.017) 1.901 9.519 ( -1.130 2.165 -0.873) 2.593 9.564 ( -1.428 -2.410 -1.553) 3.203 ======================= Grid point 30 (19/136) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.970 9.353 1.639) 10.717 1.891 ( 6.414 11.620 0.653) 13.289 1.943 ( -2.283 -8.355 2.296) 8.960 2.046 ( 1.916 0.974 3.695) 4.275 2.209 ( -2.362 -4.166 1.100) 4.913 2.253 ( -3.323 -3.543 1.722) 5.153 2.314 ( -2.177 2.198 -1.352) 3.377 2.396 ( -4.038 -5.682 -2.899) 7.549 2.657 ( -2.251 4.348 -2.008) 5.292 2.718 ( -1.695 -1.532 0.083) 2.286 2.877 ( -3.189 8.386 -3.240) 9.539 2.903 ( -2.336 3.705 4.881) 6.559 3.002 ( 2.697 0.175 -2.554) 3.719 3.046 ( -1.885 0.159 0.504) 1.957 3.151 ( -2.403 -5.017 -1.510) 5.764 3.252 ( -1.008 -10.882 1.449) 11.024 3.551 ( 4.837 6.475 -1.102) 8.157 3.657 ( 0.675 -3.877 -1.042) 4.071 3.943 ( 4.299 7.686 1.457) 8.927 4.028 ( 4.465 6.727 1.856) 8.284 4.158 ( 5.006 -4.061 -1.382) 6.593 4.246 ( -0.234 -3.984 -3.171) 5.097 4.519 ( -1.967 1.769 0.616) 2.716 4.601 ( -1.082 -5.072 0.842) 5.254 6.241 ( 0.302 7.463 -0.064) 7.469 6.387 ( -0.700 -6.204 -0.687) 6.281 6.831 ( 1.230 3.956 0.117) 4.144 6.856 ( 0.743 3.369 1.580) 3.795 6.904 ( 3.497 -0.851 1.358) 3.847 6.990 ( 2.785 -6.526 2.911) 7.669 7.170 ( -3.136 9.445 1.575) 10.076 7.319 ( -2.086 -2.285 0.291) 3.107 7.374 ( -4.158 1.298 -3.485) 5.578 7.454 ( -1.801 -7.809 -1.187) 8.102 7.749 ( 0.861 9.598 2.425) 9.937 7.846 ( 2.481 3.528 2.179) 4.832 8.028 ( -4.384 -2.193 -3.498) 6.022 8.117 ( -2.495 -7.927 -3.992) 9.219 8.298 ( -0.123 4.469 1.615) 4.753 8.346 ( -0.045 0.265 -0.567) 0.628 8.498 ( -1.024 3.749 -0.181) 3.890 8.631 ( 0.202 -8.868 -0.770) 8.904 9.044 ( 0.643 1.959 -0.019) 2.062 9.074 ( -0.297 2.957 1.495) 3.327 9.088 ( 0.314 -1.899 -0.802) 2.085 9.139 ( 0.079 -3.062 1.802) 3.553 9.500 ( -0.512 1.169 -0.403) 1.338 9.533 ( -1.167 -2.305 -1.137) 2.823 ======================= Grid point 31 (20/136) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 2.080 0.000) 2.080 1.897 ( -0.000 -2.024 -0.000) 2.024 1.981 ( 0.000 9.103 0.000) 9.103 2.051 ( 0.000 8.944 -0.000) 8.944 2.168 ( 0.000 -4.374 -0.000) 4.374 2.264 ( 0.000 -5.159 0.000) 5.159 2.286 ( -0.000 -4.063 -0.000) 4.063 2.320 ( 0.000 -4.004 0.000) 4.004 2.631 ( 0.000 4.591 0.000) 4.591 2.701 ( 0.000 -2.366 0.000) 2.366 2.832 ( 0.000 9.056 0.000) 9.056 2.889 ( 0.000 3.996 -0.000) 3.996 3.029 ( 0.000 1.726 0.000) 1.726 3.037 ( 0.000 -3.376 -0.000) 3.376 3.118 ( 0.000 -3.790 0.000) 3.790 3.246 ( 0.000 -12.198 0.000) 12.198 3.598 ( 0.000 3.714 0.000) 3.714 3.663 ( -0.000 -2.275 -0.000) 2.275 3.976 ( 0.000 10.051 -0.000) 10.051 4.138 ( -0.000 -1.957 -0.000) 1.957 4.178 ( 0.000 7.096 0.000) 7.096 4.220 ( 0.000 -2.584 -0.000) 2.584 4.496 ( 0.000 0.703 0.000) 0.703 4.591 ( 0.000 -6.752 0.000) 6.752 6.243 ( 0.000 6.997 -0.000) 6.997 6.377 ( 0.000 -5.382 0.000) 5.382 6.839 ( 0.000 3.158 -0.000) 3.158 6.863 ( 0.000 1.510 0.000) 1.510 6.957 ( 0.000 -0.261 -0.000) 0.261 7.025 ( 0.000 -5.611 0.000) 5.611 7.136 ( 0.000 12.421 -0.000) 12.421 7.314 ( 0.000 -0.589 0.000) 0.589 7.316 ( -0.000 1.219 -0.000) 1.219 7.417 ( 0.000 -12.355 -0.000) 12.355 7.764 ( 0.000 10.993 0.000) 10.993 7.888 ( 0.000 9.810 0.000) 9.810 7.966 ( -0.000 -8.530 -0.000) 8.530 8.088 ( 0.000 -9.862 0.000) 9.862 8.296 ( 0.000 5.097 -0.000) 5.097 8.345 ( 0.000 0.679 -0.000) 0.679 8.493 ( 0.000 4.418 0.000) 4.418 8.636 ( 0.000 -9.246 -0.000) 9.246 9.050 ( 0.000 2.040 -0.000) 2.040 9.059 ( 0.000 3.218 0.000) 3.218 9.100 ( 0.000 -1.748 -0.000) 1.748 9.141 ( 0.000 -3.660 0.000) 3.660 9.496 ( 0.000 0.594 0.000) 0.594 9.519 ( 0.000 -2.018 -0.000) 2.018 ======================= Grid point 63 (21/136) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 4.725 0.000 24.510) 24.962 0.525 ( -0.848 0.000 27.406) 27.419 0.884 ( -1.818 0.000 45.768) 45.804 2.058 ( -0.224 0.000 2.473) 2.483 2.245 ( -4.104 0.000 -3.731) 5.547 2.330 ( 3.071 0.000 2.282) 3.826 2.513 ( -2.095 0.000 -7.750) 8.029 2.524 ( 0.216 0.000 -1.407) 1.424 2.656 ( 1.771 0.000 0.077) 1.772 2.757 ( -2.285 0.000 -0.293) 2.304 2.904 ( 6.765 0.000 1.552) 6.941 2.961 ( 0.841 0.000 1.721) 1.916 3.050 ( 1.396 0.000 -0.178) 1.408 3.112 ( -0.272 0.000 2.212) 2.228 3.280 ( 1.272 0.000 -0.964) 1.596 3.488 ( 0.832 0.000 0.328) 0.895 3.518 ( -0.569 0.000 2.876) 2.931 3.632 ( -2.081 0.000 -0.952) 2.289 3.653 ( -1.722 0.000 -1.975) 2.620 3.865 ( -0.480 0.000 0.019) 0.481 4.131 ( 0.648 0.000 -1.668) 1.790 4.508 ( 0.923 0.000 -2.347) 2.522 4.710 ( -1.934 0.000 -2.489) 3.152 4.828 ( 0.107 0.000 -5.444) 5.445 6.199 ( -1.252 0.000 1.554) 1.996 6.514 ( 2.338 0.000 0.108) 2.340 6.549 ( 25.033 0.000 6.775) 25.934 6.722 ( -0.586 0.000 6.547) 6.573 6.794 ( 0.980 0.000 2.769) 2.937 7.041 ( -0.258 0.000 -3.442) 3.452 7.167 ( -9.660 0.000 1.984) 9.862 7.314 ( -1.420 0.000 3.709) 3.971 7.409 ( 2.767 0.000 0.392) 2.794 7.620 ( -0.280 0.000 -1.328) 1.357 7.672 ( -2.400 0.000 -6.778) 7.190 7.700 ( -0.987 0.000 -1.332) 1.657 7.822 ( -3.157 0.000 -1.562) 3.522 8.260 ( -12.016 0.000 -2.662) 12.308 8.475 ( -7.330 0.000 6.933) 10.090 8.588 ( -2.072 0.000 -6.187) 6.524 8.744 ( 1.918 0.000 1.819) 2.644 8.795 ( 17.757 0.000 1.757) 17.843 8.829 ( 0.417 0.000 2.221) 2.260 9.061 ( -0.265 0.000 -3.382) 3.392 9.102 ( 2.964 0.000 2.464) 3.855 9.203 ( -0.808 0.000 -1.946) 2.107 9.267 ( 0.613 0.000 -1.251) 1.393 9.571 ( -5.171 0.000 -0.968) 5.261 ======================= Grid point 64 (22/136) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 12.425 0.000 18.654) 22.413 0.805 ( 18.437 0.000 18.630) 26.211 1.300 ( 26.524 0.000 31.682) 41.319 2.076 ( 1.132 0.000 3.070) 3.272 2.122 ( -6.934 0.000 -4.370) 8.196 2.375 ( 1.046 0.000 1.422) 1.765 2.439 ( -3.674 0.000 -7.566) 8.411 2.522 ( -0.106 0.000 -1.255) 1.260 2.676 ( -4.270 0.000 -0.887) 4.361 2.686 ( 1.108 0.000 2.510) 2.744 2.937 ( -2.187 0.000 4.328) 4.849 3.012 ( 5.274 0.000 1.570) 5.503 3.027 ( -3.620 0.000 -1.254) 3.832 3.112 ( -1.387 0.000 4.147) 4.373 3.343 ( 4.810 0.000 0.268) 4.817 3.423 ( -5.435 0.000 -1.120) 5.549 3.456 ( -5.559 0.000 3.407) 6.520 3.657 ( 1.459 0.000 -0.939) 1.735 3.739 ( 6.368 0.000 -9.591) 11.513 3.807 ( -4.979 0.000 -0.339) 4.991 4.210 ( 7.038 0.000 -2.840) 7.589 4.453 ( -5.983 0.000 -2.113) 6.345 4.660 ( -2.084 0.000 -4.245) 4.729 4.813 ( -0.415 0.000 -3.767) 3.789 6.196 ( 0.699 0.000 0.941) 1.172 6.475 ( -7.675 0.000 6.417) 10.004 6.601 ( -7.098 0.000 9.000) 11.463 6.776 ( 2.041 0.000 11.688) 11.865 6.827 ( 0.861 0.000 1.867) 2.056 7.035 ( 0.597 0.000 -3.704) 3.752 7.180 ( 6.923 0.000 0.243) 6.927 7.371 ( 5.066 0.000 2.873) 5.824 7.433 ( -2.013 0.000 -0.432) 2.058 7.510 ( -6.897 0.000 -6.684) 9.605 7.599 ( -5.319 0.000 -3.340) 6.281 7.670 ( -0.888 0.000 -2.918) 3.050 7.795 ( 2.805 0.000 0.726) 2.897 8.083 ( -3.106 0.000 4.557) 5.515 8.452 ( -7.727 0.000 -7.065) 10.470 8.460 ( 0.557 0.000 5.778) 5.805 8.799 ( -0.175 0.000 1.161) 1.174 8.880 ( 4.703 0.000 0.922) 4.793 8.968 ( 0.970 0.000 1.124) 1.485 9.048 ( 0.357 0.000 -4.904) 4.917 9.157 ( -3.189 0.000 -2.722) 4.193 9.198 ( 4.946 0.000 5.996) 7.773 9.290 ( 1.753 0.000 -1.330) 2.200 9.585 ( 3.912 0.000 -8.084) 8.981 ======================= Grid point 65 (23/136) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 18.835 0.000 10.123) 21.383 1.228 ( 18.984 0.000 11.547) 22.220 1.919 ( 27.428 0.000 17.612) 32.596 1.959 ( -8.171 0.000 -4.112) 9.147 2.112 ( 1.244 0.000 6.073) 6.199 2.321 ( -6.213 0.000 -6.023) 8.653 2.383 ( -0.424 0.000 0.611) 0.744 2.516 ( -0.106 0.000 -1.224) 1.228 2.616 ( -1.152 0.000 -2.321) 2.591 2.720 ( 1.427 0.000 4.755) 4.965 2.899 ( -8.145 0.000 -3.931) 9.044 2.900 ( -2.308 0.000 2.847) 3.665 3.048 ( -6.353 0.000 7.083) 9.515 3.149 ( 7.910 0.000 1.896) 8.134 3.308 ( -6.570 0.000 1.202) 6.679 3.389 ( -0.431 0.000 0.625) 0.760 3.448 ( 4.656 0.000 0.704) 4.709 3.677 ( 0.726 0.000 -0.766) 1.055 3.682 ( -6.758 0.000 -0.076) 6.758 3.778 ( 0.398 0.000 -9.097) 9.106 4.271 ( -11.261 0.000 -2.274) 11.488 4.353 ( 7.413 0.000 -3.666) 8.270 4.612 ( -1.497 0.000 -4.481) 4.724 4.788 ( -1.246 0.000 -2.750) 3.019 6.229 ( 2.165 0.000 0.982) 2.377 6.301 ( -9.560 0.000 14.641) 17.485 6.579 ( 0.553 0.000 1.124) 1.253 6.818 ( -0.697 0.000 2.563) 2.656 6.863 ( 1.999 0.000 10.895) 11.077 7.046 ( 1.424 0.000 -3.681) 3.947 7.269 ( -8.685 0.000 -5.103) 10.073 7.282 ( 3.340 0.000 1.812) 3.800 7.443 ( -5.406 0.000 -2.535) 5.971 7.475 ( 3.271 0.000 4.497) 5.561 7.490 ( -0.713 0.000 -1.823) 1.958 7.690 ( 4.987 0.000 -7.437) 8.954 7.873 ( 2.312 0.000 1.917) 3.003 8.077 ( 0.325 0.000 3.882) 3.896 8.300 ( -4.408 0.000 -6.700) 8.020 8.478 ( -0.743 0.000 5.585) 5.634 8.757 ( -3.395 0.000 -0.187) 3.400 8.925 ( -5.208 0.000 4.147) 6.658 8.958 ( 2.067 0.000 -0.087) 2.068 9.065 ( 2.841 0.000 -5.045) 5.790 9.099 ( -1.275 0.000 -2.970) 3.232 9.297 ( 2.495 0.000 5.829) 6.340 9.327 ( 2.748 0.000 -1.420) 3.093 9.620 ( 1.902 0.000 -8.434) 8.646 ======================= Grid point 66 (24/136) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 16.782 0.000 6.850) 18.126 1.577 ( 13.027 0.000 7.996) 15.285 1.793 ( -7.385 0.000 -2.607) 7.832 2.070 ( -7.074 0.000 3.535) 7.908 2.204 ( -0.287 0.000 -5.122) 5.130 2.369 ( -0.741 0.000 -0.370) 0.828 2.439 ( 13.116 0.000 11.428) 17.397 2.515 ( 0.542 0.000 -1.486) 1.582 2.657 ( 9.630 0.000 -0.963) 9.678 2.718 ( -5.484 0.000 -4.402) 7.032 2.775 ( -0.287 0.000 5.149) 5.157 2.868 ( -0.801 0.000 1.420) 1.631 2.925 ( -6.704 0.000 7.610) 10.142 3.193 ( -4.740 0.000 2.564) 5.390 3.314 ( 7.272 0.000 0.893) 7.327 3.407 ( 1.279 0.000 -0.120) 1.284 3.410 ( -10.482 0.000 1.075) 10.537 3.636 ( 2.313 0.000 0.179) 2.319 3.688 ( 0.749 0.000 -0.727) 1.044 3.729 ( -2.115 0.000 -7.468) 7.762 4.037 ( -10.028 0.000 -1.837) 10.195 4.456 ( 3.347 0.000 -6.028) 6.895 4.593 ( 1.073 0.000 -1.227) 1.630 4.756 ( -1.213 0.000 -2.212) 2.522 6.179 ( -6.463 0.000 11.552) 13.237 6.278 ( 2.194 0.000 1.616) 2.725 6.595 ( 0.520 0.000 1.904) 1.974 6.799 ( -1.135 0.000 -0.581) 1.275 6.916 ( 0.109 0.000 11.534) 11.535 7.065 ( 1.144 0.000 -3.955) 4.117 7.140 ( -2.894 0.000 -1.047) 3.078 7.325 ( 0.505 0.000 2.656) 2.704 7.328 ( -4.183 0.000 -2.006) 4.639 7.509 ( 2.053 0.000 -1.869) 2.776 7.512 ( 0.129 0.000 0.881) 0.890 7.816 ( 8.221 0.000 -7.551) 11.163 7.843 ( -4.502 0.000 -2.574) 5.186 8.103 ( 1.276 0.000 4.793) 4.960 8.282 ( 2.809 0.000 -2.722) 3.912 8.444 ( -4.268 0.000 5.535) 6.989 8.686 ( -3.150 0.000 0.007) 3.150 8.822 ( -4.986 0.000 2.439) 5.551 8.975 ( 0.451 0.000 -1.314) 1.390 9.090 ( 0.538 0.000 -0.310) 0.621 9.113 ( 2.513 0.000 -4.574) 5.219 9.321 ( -0.071 0.000 0.505) 0.510 9.380 ( 1.577 0.000 1.955) 2.512 9.632 ( 1.513 0.000 -6.753) 6.921 ======================= Grid point 67 (25/136) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -3.313 0.000 4.144) 5.305 1.657 ( -6.475 0.000 -0.406) 6.487 1.773 ( 5.607 0.000 5.076) 7.563 1.965 ( 0.478 0.000 3.545) 3.578 2.223 ( 2.254 0.000 0.265) 2.270 2.359 ( -0.044 0.000 -1.153) 1.154 2.518 ( -1.042 0.000 1.841) 2.115 2.526 ( 0.550 0.000 -2.832) 2.885 2.643 ( -0.156 0.000 -3.082) 3.086 2.720 ( -5.544 0.000 4.170) 6.938 2.790 ( -1.471 0.000 1.197) 1.896 2.905 ( 2.256 0.000 7.242) 7.585 3.036 ( 8.333 0.000 0.478) 8.347 3.144 ( -8.793 0.000 4.241) 9.762 3.153 ( -0.043 0.000 3.754) 3.754 3.369 ( -2.430 0.000 -2.589) 3.551 3.423 ( 0.327 0.000 0.036) 0.329 3.589 ( -3.510 0.000 -5.818) 6.795 3.705 ( 1.054 0.000 -0.132) 1.062 3.779 ( 5.830 0.000 -0.442) 5.847 3.944 ( 1.829 0.000 0.076) 1.830 4.449 ( -1.468 0.000 -7.421) 7.565 4.650 ( 3.517 0.000 1.787) 3.945 4.737 ( 0.080 0.000 -2.664) 2.666 6.095 ( -4.791 0.000 8.711) 9.941 6.314 ( 0.712 0.000 2.608) 2.703 6.607 ( 0.071 0.000 2.637) 2.638 6.774 ( -1.083 0.000 -2.017) 2.289 6.923 ( -2.165 0.000 10.325) 10.550 7.069 ( 0.555 0.000 -3.103) 3.152 7.148 ( 2.912 0.000 2.112) 3.597 7.288 ( 0.777 0.000 -1.710) 1.878 7.324 ( -0.991 0.000 2.458) 2.651 7.491 ( -2.063 0.000 -2.422) 3.181 7.541 ( 0.852 0.000 -1.269) 1.528 7.753 ( -2.035 0.000 -5.747) 6.096 7.926 ( 4.095 0.000 -7.402) 8.460 8.146 ( 0.996 0.000 5.317) 5.409 8.327 ( 1.190 0.000 -1.012) 1.562 8.357 ( -4.595 0.000 5.563) 7.215 8.663 ( 1.242 0.000 0.979) 1.582 8.762 ( -1.465 0.000 1.282) 1.946 8.980 ( 0.409 0.000 -1.135) 1.206 9.114 ( 1.651 0.000 1.608) 2.305 9.130 ( 0.394 0.000 -5.290) 5.305 9.304 ( -1.761 0.000 -0.186) 1.770 9.390 ( -0.797 0.000 0.561) 0.975 9.652 ( 2.043 0.000 -5.038) 5.436 ======================= Grid point 68 (26/136) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -17.501 0.000 4.231) 18.005 1.479 ( -13.109 0.000 3.117) 13.474 1.887 ( 6.633 0.000 1.639) 6.833 1.975 ( -5.730 0.000 0.493) 5.751 2.273 ( -3.150 0.000 7.234) 7.890 2.356 ( -0.189 0.000 -0.732) 0.756 2.463 ( -1.716 0.000 4.702) 5.005 2.522 ( 0.145 0.000 -2.843) 2.847 2.603 ( -2.610 0.000 -1.182) 2.865 2.708 ( -5.703 0.000 -0.455) 5.721 2.736 ( 5.177 0.000 1.596) 5.417 2.854 ( -5.596 0.000 2.163) 5.999 3.000 ( 5.434 0.000 5.114) 7.462 3.164 ( -6.482 0.000 -5.145) 8.275 3.191 ( 2.199 0.000 3.462) 4.102 3.428 ( 0.324 0.000 1.034) 1.083 3.445 ( 7.462 0.000 0.737) 7.498 3.518 ( 0.711 0.000 -4.488) 4.544 3.723 ( 0.589 0.000 0.539) 0.799 3.882 ( 4.638 0.000 -1.393) 4.842 4.079 ( 9.802 0.000 0.542) 9.817 4.383 ( -3.248 0.000 -6.478) 7.246 4.716 ( 2.361 0.000 2.285) 3.285 4.747 ( 1.797 0.000 -4.214) 4.581 6.029 ( -3.885 0.000 6.981) 7.989 6.315 ( -1.379 0.000 3.399) 3.668 6.613 ( -0.016 0.000 1.837) 1.837 6.744 ( -1.517 0.000 -1.181) 1.923 6.885 ( -3.951 0.000 8.214) 9.115 7.069 ( 0.070 0.000 -2.511) 2.512 7.256 ( 6.626 0.000 2.962) 7.258 7.306 ( -1.177 0.000 0.870) 1.464 7.336 ( 4.005 0.000 -3.064) 5.043 7.424 ( -3.644 0.000 -2.065) 4.189 7.544 ( 1.096 0.000 1.389) 1.769 7.744 ( 1.492 0.000 -5.837) 6.024 7.933 ( -1.540 0.000 -6.707) 6.882 8.155 ( -0.660 0.000 9.210) 9.234 8.328 ( 0.068 0.000 2.128) 2.130 8.340 ( 1.426 0.000 -0.117) 1.431 8.725 ( 3.818 0.000 0.882) 3.918 8.763 ( 1.038 0.000 0.168) 1.052 8.981 ( -0.257 0.000 -0.619) 0.670 9.102 ( -1.549 0.000 -6.337) 6.524 9.159 ( 2.172 0.000 2.321) 3.178 9.248 ( -3.829 0.000 0.360) 3.845 9.359 ( -1.946 0.000 -1.461) 2.433 9.685 ( 2.351 0.000 -3.871) 4.529 ======================= Grid point 69 (27/136) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -21.662 0.000 4.325) 22.089 1.148 ( -21.043 0.000 8.104) 22.550 1.637 ( -27.724 0.000 13.668) 30.910 2.053 ( 9.156 0.000 0.219) 9.158 2.146 ( -5.531 0.000 4.530) 7.150 2.346 ( -0.695 0.000 -0.624) 0.934 2.519 ( 0.123 0.000 -1.607) 1.612 2.556 ( 4.539 0.000 2.355) 5.113 2.586 ( 1.161 0.000 -2.591) 2.839 2.652 ( 0.325 0.000 1.095) 1.142 2.803 ( -1.624 0.000 0.276) 1.647 2.858 ( 6.571 0.000 -0.173) 6.573 3.027 ( -5.082 0.000 -3.289) 6.053 3.107 ( 2.387 0.000 5.452) 5.952 3.260 ( 5.311 0.000 0.035) 5.311 3.384 ( -4.781 0.000 -3.103) 5.700 3.450 ( 1.425 0.000 2.704) 3.057 3.689 ( 8.504 0.000 0.236) 8.507 3.726 ( -0.546 0.000 0.672) 0.866 3.944 ( 1.540 0.000 -4.365) 4.628 4.279 ( 9.712 0.000 -1.307) 9.799 4.290 ( -4.544 0.000 -4.876) 6.666 4.749 ( 0.490 0.000 1.624) 1.696 4.783 ( 3.005 0.000 -6.329) 7.006 5.982 ( -2.339 0.000 8.685) 8.995 6.281 ( -2.703 0.000 3.408) 4.349 6.605 ( -1.359 0.000 -1.497) 2.022 6.717 ( -1.134 0.000 4.303) 4.450 6.818 ( -3.953 0.000 4.222) 5.783 7.063 ( 0.034 0.000 -2.105) 2.105 7.279 ( -1.406 0.000 -2.808) 3.141 7.328 ( 1.321 0.000 -4.745) 4.926 7.368 ( -1.574 0.000 3.146) 3.518 7.472 ( 8.935 0.000 1.935) 9.143 7.622 ( 5.004 0.000 1.316) 5.174 7.756 ( 1.308 0.000 -1.725) 2.164 7.851 ( -4.741 0.000 -3.421) 5.846 8.202 ( 2.909 0.000 10.705) 11.093 8.339 ( 0.656 0.000 0.420) 0.779 8.408 ( 5.323 0.000 -0.186) 5.327 8.786 ( 0.797 0.000 -1.476) 1.677 8.787 ( 1.715 0.000 -0.218) 1.729 8.946 ( -3.377 0.000 -1.850) 3.851 9.060 ( -0.744 0.000 -3.828) 3.900 9.161 ( -4.487 0.000 -0.256) 4.494 9.203 ( 1.529 0.000 1.535) 2.167 9.315 ( -1.933 0.000 -2.336) 3.032 9.717 ( 1.586 0.000 -3.993) 4.296 ======================= Grid point 70 (28/136) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -20.455 0.000 9.259) 22.453 0.737 ( -21.626 0.000 16.813) 27.393 1.123 ( -26.912 0.000 33.441) 42.925 2.079 ( -2.513 0.000 2.503) 3.547 2.218 ( 6.780 0.000 0.372) 6.790 2.320 ( -1.858 0.000 -0.847) 2.042 2.521 ( 0.441 0.000 -1.512) 1.575 2.564 ( -1.148 0.000 -6.433) 6.534 2.617 ( 2.216 0.000 -1.879) 2.905 2.739 ( 5.563 0.000 6.804) 8.789 2.776 ( -1.084 0.000 1.298) 1.691 2.959 ( -1.419 0.000 -0.384) 1.470 2.981 ( 5.447 0.000 -1.048) 5.547 3.120 ( -0.986 0.000 3.146) 3.296 3.299 ( -2.691 0.000 -2.186) 3.466 3.394 ( 6.921 0.000 0.488) 6.938 3.492 ( 1.897 0.000 2.513) 3.149 3.702 ( -2.038 0.000 -0.182) 2.046 3.810 ( 2.485 0.000 -1.619) 2.966 3.874 ( -7.011 0.000 -8.958) 11.375 4.186 ( -4.592 0.000 -2.701) 5.328 4.438 ( 6.463 0.000 -2.583) 6.960 4.744 ( -1.079 0.000 -0.198) 1.097 4.823 ( 2.386 0.000 -7.765) 8.124 6.045 ( 8.769 0.000 20.173) 21.996 6.234 ( -2.619 0.000 2.585) 3.680 6.554 ( -2.599 0.000 -1.735) 3.125 6.722 ( -0.703 0.000 7.815) 7.847 6.773 ( -0.504 0.000 0.749) 0.903 7.056 ( -0.290 0.000 -2.559) 2.575 7.247 ( -1.004 0.000 -2.750) 2.928 7.352 ( 2.597 0.000 -2.849) 3.855 7.361 ( -1.154 0.000 3.956) 4.121 7.606 ( 2.929 0.000 -0.324) 2.947 7.680 ( 2.061 0.000 -4.112) 4.600 7.751 ( -4.144 0.000 -1.745) 4.496 7.821 ( 3.408 0.000 2.301) 4.112 8.310 ( 3.606 0.000 1.738) 4.003 8.392 ( 6.923 0.000 11.346) 13.292 8.528 ( 6.312 0.000 -1.661) 6.527 8.752 ( -4.920 0.000 -3.725) 6.171 8.775 ( -2.281 0.000 -1.617) 2.796 8.862 ( -3.946 0.000 0.214) 3.952 9.054 ( 0.570 0.000 0.132) 0.585 9.095 ( -1.572 0.000 -2.621) 3.056 9.219 ( -0.131 0.000 -0.498) 0.515 9.277 ( -1.122 0.000 -1.958) 2.257 9.704 ( -2.795 0.000 -6.192) 6.794 ======================= Grid point 71 (29/136) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 5.078 21.879 14.871) 26.938 0.771 ( -1.071 19.823 17.506) 26.468 1.356 ( -1.503 37.164 26.983) 45.951 2.064 ( -0.231 0.759 2.185) 2.324 2.241 ( -3.429 -0.425 -3.342) 4.807 2.328 ( 2.358 -0.083 2.114) 3.168 2.469 ( -0.356 -2.512 -2.935) 3.880 2.564 ( -1.177 0.103 -4.409) 4.564 2.611 ( 1.536 -1.970 -2.005) 3.203 2.777 ( -1.387 2.140 -0.802) 2.673 2.867 ( 2.567 -1.298 3.178) 4.286 2.941 ( 1.340 -0.668 0.454) 1.565 2.971 ( 0.705 -6.738 0.155) 6.776 3.085 ( 0.931 -1.512 5.241) 5.534 3.313 ( 0.338 1.912 -1.708) 2.586 3.486 ( 1.818 0.100 0.240) 1.837 3.543 ( -1.600 0.937 2.045) 2.761 3.649 ( -2.139 -1.907 -2.341) 3.700 3.663 ( -0.854 2.522 -0.445) 2.699 3.870 ( -0.473 1.190 -1.344) 1.856 4.085 ( 0.399 -4.351 -0.820) 4.446 4.498 ( -0.277 -1.234 -2.611) 2.901 4.612 ( -0.204 -9.048 -1.570) 9.186 4.802 ( 0.543 -2.076 -3.897) 4.449 6.080 ( 0.396 -0.500 10.949) 10.967 6.579 ( -0.288 5.032 -1.563) 5.277 6.679 ( 2.379 -1.453 4.253) 5.085 6.723 ( 2.649 -1.802 -0.245) 3.213 6.808 ( 2.936 2.911 3.978) 5.737 7.081 ( 5.341 1.962 -0.877) 5.757 7.206 ( -0.952 1.106 0.835) 1.681 7.293 ( 0.749 -0.840 0.908) 1.446 7.463 ( -5.432 4.177 0.995) 6.924 7.580 ( 1.551 -0.948 3.130) 3.619 7.657 ( -1.365 0.247 -3.389) 3.662 7.705 ( -2.058 0.345 -3.417) 4.003 7.902 ( -2.153 7.588 -3.501) 8.630 8.341 ( -2.938 3.386 -5.957) 7.455 8.397 ( -5.723 -4.010 2.649) 7.473 8.574 ( 2.266 -2.488 -4.194) 5.377 8.643 ( -1.599 -4.487 1.804) 5.093 8.816 ( 0.171 -1.468 1.821) 2.345 8.913 ( 6.351 3.434 -1.102) 7.303 9.039 ( 0.971 -2.054 -1.801) 2.900 9.096 ( 2.531 -0.475 1.229) 2.853 9.175 ( 0.239 -1.773 -2.558) 3.122 9.356 ( 0.007 5.468 -4.324) 6.971 9.582 ( -3.381 0.928 -1.020) 3.652 ======================= Grid point 72 (30/136) ======================= q-point: ( 0.12 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 7.910 18.349 13.593) 24.166 0.954 ( 12.514 13.711 15.729) 24.330 1.638 ( 19.820 28.122 22.384) 41.045 2.079 ( 0.374 0.370 2.968) 3.014 2.147 ( -4.532 2.461 -4.764) 7.021 2.365 ( 0.853 -0.996 1.832) 2.253 2.433 ( -2.569 -1.141 -5.338) 6.032 2.527 ( -1.264 0.499 -2.622) 2.953 2.632 ( 0.854 -3.815 1.227) 4.098 2.721 ( -3.535 3.302 -0.953) 4.931 2.878 ( -1.458 -4.908 0.623) 5.158 2.963 ( -1.231 -4.145 0.263) 4.332 3.013 ( 4.885 -0.007 1.320) 5.060 3.095 ( -2.345 -2.219 6.193) 6.984 3.324 ( 1.668 -1.327 -0.768) 2.265 3.437 ( -4.420 0.831 0.715) 4.554 3.468 ( -5.953 0.990 0.783) 6.086 3.637 ( 0.872 -2.192 0.060) 2.360 3.721 ( 4.144 -0.435 -4.141) 5.874 3.834 ( -2.432 2.608 -1.964) 4.071 4.170 ( 7.306 -3.733 -2.185) 8.490 4.435 ( -5.039 -2.116 -3.001) 6.235 4.606 ( -0.435 -4.977 -1.944) 5.361 4.790 ( -0.722 -2.311 -3.496) 4.253 6.108 ( 0.146 -1.505 8.306) 8.442 6.569 ( -1.434 4.710 -2.012) 5.319 6.657 ( -6.353 0.068 3.363) 7.189 6.758 ( 3.336 -1.300 9.323) 9.987 6.851 ( 0.823 2.866 4.662) 5.534 7.114 ( -3.024 3.575 3.360) 5.763 7.228 ( 3.245 4.217 0.154) 5.323 7.333 ( 1.698 -3.169 2.267) 4.250 7.411 ( 0.631 0.096 0.096) 0.646 7.539 ( -5.550 2.845 -5.576) 8.365 7.579 ( -4.998 -0.428 -3.840) 6.317 7.686 ( 1.158 0.549 -0.738) 1.479 7.874 ( 1.135 7.169 -2.950) 7.835 8.174 ( -5.947 6.311 -1.875) 8.871 8.395 ( -0.722 -3.880 0.321) 3.960 8.482 ( -5.387 0.421 -3.092) 6.226 8.690 ( 1.976 -8.729 2.118) 9.197 8.831 ( 0.839 -2.666 -0.011) 2.795 8.992 ( 2.036 0.792 0.342) 2.211 9.050 ( 0.630 -0.694 -2.220) 2.410 9.145 ( -2.525 -0.947 -2.303) 3.546 9.187 ( 4.743 -0.981 5.472) 7.307 9.351 ( 0.689 4.519 -3.223) 5.593 9.574 ( 1.960 -0.626 -5.808) 6.162 ======================= Grid point 73 (31/136) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 15.423 10.976 8.267) 20.657 1.281 ( 15.703 6.221 11.182) 20.257 1.992 ( -7.255 2.995 -2.124) 8.131 2.092 ( 17.362 13.340 13.071) 25.500 2.133 ( 1.387 2.233 2.511) 3.635 2.332 ( -5.419 1.022 -5.470) 7.767 2.390 ( 1.982 1.064 2.204) 3.149 2.503 ( -0.694 -0.985 -1.542) 1.957 2.639 ( -1.425 0.316 -0.847) 1.688 2.682 ( 1.226 -2.507 3.595) 4.551 2.817 ( -4.205 -3.815 -1.599) 5.899 2.925 ( -2.338 -0.731 -0.061) 2.450 3.012 ( -6.745 -2.341 6.086) 9.381 3.132 ( 5.867 -1.276 1.252) 6.134 3.307 ( -4.309 -0.182 0.484) 4.340 3.353 ( -2.203 -3.090 1.128) 3.959 3.450 ( 3.346 -0.301 0.048) 3.359 3.645 ( 0.065 -0.612 -0.026) 0.616 3.745 ( -1.489 2.830 -0.985) 3.346 3.786 ( -0.791 1.583 -5.413) 5.695 4.276 ( -7.066 0.156 -3.351) 7.822 4.324 ( 4.916 -2.572 -2.162) 5.955 4.585 ( -0.821 -2.570 -3.165) 4.159 4.763 ( -1.068 -2.421 -2.355) 3.542 6.132 ( 0.143 -1.849 7.642) 7.864 6.463 ( -6.725 6.688 4.000) 10.293 6.623 ( 0.757 3.316 0.865) 3.510 6.835 ( 1.560 -1.028 5.473) 5.783 6.877 ( 0.609 4.351 8.100) 9.214 7.075 ( -1.131 2.497 -0.135) 2.744 7.250 ( -2.841 1.129 -0.975) 3.208 7.309 ( -2.477 -2.013 2.371) 3.976 7.409 ( -2.307 -1.710 -1.150) 3.094 7.474 ( -1.541 1.341 -1.671) 2.640 7.507 ( 2.511 2.558 -1.346) 3.829 7.719 ( 2.720 1.022 -3.824) 4.803 7.918 ( 2.315 4.389 -1.303) 5.131 8.109 ( -1.029 2.647 0.230) 2.849 8.310 ( -3.635 0.430 -5.701) 6.775 8.443 ( -1.485 -2.879 4.294) 5.379 8.682 ( -3.027 -6.946 2.103) 7.863 8.846 ( 0.641 -3.843 -0.626) 3.946 9.015 ( -1.095 1.413 0.483) 1.851 9.046 ( 0.062 -0.723 -2.447) 2.552 9.097 ( -0.136 -0.279 -2.348) 2.368 9.282 ( 2.676 -1.560 6.064) 6.809 9.368 ( 1.791 3.286 -2.831) 4.693 9.591 ( 1.350 -2.375 -7.338) 7.830 ======================= Grid point 74 (32/136) ======================= q-point: ( 0.38 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 14.445 6.379 5.614) 16.759 1.596 ( 13.422 1.932 6.795) 15.167 1.842 ( -6.665 4.651 -1.538) 8.272 2.113 ( -6.297 3.938 1.910) 7.669 2.208 ( -1.464 -0.303 -3.286) 3.610 2.262 ( -0.778 -4.992 3.738) 6.285 2.490 ( 0.105 -1.775 -0.360) 1.814 2.527 ( 4.916 3.339 1.733) 6.191 2.607 ( -1.559 -2.222 -3.295) 4.269 2.716 ( 0.097 -6.373 4.603) 7.862 2.784 ( -0.252 2.148 4.146) 4.677 2.886 ( 0.092 2.668 1.019) 2.858 2.921 ( -0.600 0.774 2.988) 3.145 3.157 ( -2.905 -2.784 2.237) 4.604 3.299 ( 1.732 -2.870 -3.267) 4.680 3.344 ( 1.901 -0.319 2.106) 2.855 3.503 ( 0.381 3.395 1.436) 3.706 3.654 ( 0.573 1.343 -0.520) 1.550 3.702 ( -1.397 3.315 0.200) 3.603 3.769 ( 0.692 2.170 -4.400) 4.954 4.067 ( -10.476 3.596 -1.944) 11.246 4.423 ( 3.433 -3.523 -4.090) 6.397 4.570 ( 0.526 -2.039 -1.635) 2.666 4.741 ( -0.518 -1.523 -1.940) 2.520 6.141 ( -1.547 -0.657 8.337) 8.505 6.378 ( -2.577 6.046 2.879) 7.175 6.646 ( 0.940 4.080 1.426) 4.423 6.847 ( -0.545 3.765 0.704) 3.869 6.904 ( -0.643 0.059 8.883) 8.906 7.064 ( -0.067 -0.279 -0.767) 0.819 7.171 ( -2.332 3.495 -0.382) 4.218 7.299 ( -0.881 -2.757 2.828) 4.047 7.323 ( -3.492 -0.941 -0.306) 3.630 7.506 ( 1.756 1.603 -0.200) 2.386 7.544 ( 1.587 2.332 -1.666) 3.276 7.756 ( 0.071 -3.209 -3.846) 5.010 7.933 ( 2.224 5.228 -6.116) 8.348 8.129 ( 1.903 2.343 2.479) 3.906 8.295 ( 3.010 0.465 -2.246) 3.785 8.398 ( -4.103 -3.772 4.588) 7.219 8.598 ( -5.478 -6.120 2.207) 8.505 8.846 ( -0.459 -0.174 -0.619) 0.790 8.980 ( -0.714 0.352 -0.849) 1.164 9.043 ( -0.081 -2.223 -1.008) 2.443 9.118 ( 1.655 -0.228 -2.402) 2.926 9.313 ( -0.476 -1.671 2.959) 3.432 9.402 ( 1.675 2.089 -1.447) 3.044 9.598 ( 1.368 -2.959 -6.144) 6.955 ======================= Grid point 75 (33/136) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -3.551 3.516 2.718) 5.688 1.739 ( -2.968 5.320 0.917) 6.161 1.800 ( 1.585 3.582 3.034) 4.955 2.026 ( 2.220 4.987 2.220) 5.893 2.167 ( -1.549 -8.462 1.324) 8.704 2.283 ( 2.331 -2.402 2.378) 4.106 2.495 ( -0.328 -3.874 -0.024) 3.888 2.522 ( -1.674 -1.060 -4.456) 4.877 2.584 ( 0.732 0.039 -2.700) 2.797 2.716 ( -3.588 -0.536 3.531) 5.063 2.762 ( 1.215 -5.267 5.641) 7.813 2.876 ( 0.135 1.564 -0.190) 1.582 2.985 ( -1.927 -3.816 3.562) 5.565 3.146 ( -0.378 -0.905 0.646) 1.175 3.323 ( 4.822 -0.849 -1.638) 5.163 3.398 ( 0.460 10.330 1.863) 10.507 3.444 ( -4.688 5.606 1.933) 7.559 3.626 ( -2.519 1.586 -3.061) 4.270 3.717 ( 1.546 0.413 0.097) 1.603 3.791 ( 0.857 2.781 -2.111) 3.595 3.965 ( 3.510 2.820 0.902) 4.592 4.421 ( -1.613 -2.831 -5.889) 6.731 4.613 ( 3.296 -3.112 1.345) 4.729 4.731 ( -0.099 -0.956 -2.447) 2.629 6.112 ( -3.240 1.845 7.854) 8.694 6.366 ( 0.284 4.532 2.543) 5.205 6.662 ( 0.190 4.342 2.011) 4.788 6.826 ( -1.454 4.861 -1.412) 5.267 6.896 ( -2.163 -1.785 7.195) 7.722 7.059 ( -0.499 -1.520 -0.341) 1.636 7.176 ( 2.448 3.323 2.561) 4.858 7.286 ( -0.911 -1.692 0.915) 2.128 7.295 ( 0.775 -1.373 1.443) 2.137 7.499 ( -1.782 0.943 -1.849) 2.736 7.572 ( 0.715 3.351 -2.052) 3.994 7.711 ( -0.903 -3.355 -4.492) 5.679 7.988 ( 3.276 4.802 -8.017) 9.902 8.178 ( 2.008 2.708 4.081) 5.293 8.321 ( -4.159 -3.120 5.135) 7.307 8.354 ( 1.134 2.072 -1.180) 2.641 8.527 ( -0.325 -8.929 2.637) 9.316 8.836 ( -0.077 2.829 -0.906) 2.971 8.985 ( 0.764 0.308 -0.696) 1.079 9.046 ( 0.692 -4.286 0.624) 4.386 9.130 ( 0.185 -0.523 -3.594) 3.636 9.288 ( -2.421 -2.098 1.008) 3.359 9.415 ( 0.064 2.015 -1.476) 2.499 9.620 ( 2.156 -2.884 -4.327) 5.630 ======================= Grid point 76 (34/136) ======================= q-point: (-0.38 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -15.358 5.104 1.971) 16.303 1.544 ( -15.235 5.949 4.879) 17.067 1.868 ( 3.815 -0.227 1.236) 4.017 2.018 ( -2.389 1.948 -0.967) 3.230 2.228 ( 2.197 -2.402 3.983) 5.144 2.369 ( 5.040 0.747 3.104) 5.966 2.443 ( -2.971 -2.917 -1.490) 4.422 2.531 ( 2.249 1.137 -0.195) 2.527 2.594 ( -0.162 -0.156 -1.633) 1.649 2.696 ( -2.582 1.137 1.251) 3.086 2.745 ( -0.286 -2.135 2.373) 3.205 2.896 ( -4.262 0.888 2.219) 4.887 2.934 ( 4.807 -2.558 0.907) 5.520 3.119 ( -1.471 -3.025 -1.021) 3.516 3.239 ( -7.055 4.468 0.623) 8.374 3.408 ( -0.979 -1.799 0.131) 2.052 3.510 ( 2.632 4.131 1.898) 5.253 3.600 ( 3.879 7.338 -1.468) 8.429 3.718 ( -0.472 0.093 0.330) 0.583 3.839 ( 3.868 -3.836 -1.716) 5.712 4.130 ( 10.196 4.794 0.600) 11.283 4.355 ( -3.408 -2.917 -5.319) 6.958 4.679 ( 2.199 -3.432 2.149) 4.608 4.722 ( 0.301 -2.246 -3.911) 4.520 6.063 ( -3.337 3.284 7.117) 8.519 6.387 ( 0.905 6.015 2.842) 6.714 6.663 ( -0.494 3.825 1.783) 4.249 6.785 ( -2.032 3.497 -2.597) 4.807 6.854 ( -3.935 -1.653 7.265) 8.426 7.044 ( -0.559 -2.196 -1.514) 2.725 7.242 ( -0.374 -2.670 0.336) 2.717 7.290 ( 4.807 0.643 5.116) 7.050 7.356 ( 3.925 1.477 -2.547) 4.907 7.443 ( -2.827 1.667 -0.388) 3.305 7.564 ( 0.557 1.718 -1.194) 2.165 7.727 ( 2.188 -0.889 -3.335) 4.087 7.986 ( -1.465 4.583 -6.179) 7.832 8.214 ( 0.545 4.362 6.476) 7.827 8.291 ( 0.064 -2.986 2.298) 3.768 8.355 ( 1.389 1.289 -0.080) 1.897 8.587 ( 3.807 -8.517 1.399) 9.434 8.844 ( 1.031 2.715 -0.919) 3.046 8.987 ( -0.633 0.573 -0.306) 0.907 9.068 ( 0.609 -4.470 -1.570) 4.776 9.112 ( -0.468 -1.554 -2.805) 3.240 9.226 ( -3.731 -2.112 0.294) 4.298 9.403 ( -0.723 2.914 -1.708) 3.454 9.657 ( 2.347 -2.577 -3.066) 4.642 ======================= Grid point 77 (35/136) ======================= q-point: (-0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -19.786 7.504 1.762) 21.235 1.211 ( -18.907 8.247 10.713) 23.243 1.805 ( -11.758 10.933 6.470) 17.310 2.071 ( 5.712 3.853 0.487) 6.907 2.214 ( -3.059 4.724 3.426) 6.589 2.348 ( -3.439 0.789 0.778) 3.613 2.453 ( 1.586 -4.365 -0.878) 4.726 2.556 ( -1.271 -1.584 -0.286) 2.051 2.600 ( 1.840 1.134 -3.117) 3.793 2.668 ( 3.613 1.210 2.651) 4.642 2.807 ( 1.898 -0.324 -2.246) 2.958 2.863 ( 1.370 0.714 2.907) 3.292 2.996 ( -1.025 -1.657 -0.615) 2.043 3.082 ( -1.866 -1.302 2.825) 3.628 3.215 ( 5.831 -2.869 -1.144) 6.598 3.363 ( -2.991 -1.826 -1.550) 3.832 3.516 ( 0.219 3.899 2.835) 4.826 3.694 ( 0.734 -0.726 2.237) 2.464 3.734 ( 3.796 2.337 -1.118) 4.595 3.894 ( 1.387 -3.808 -3.081) 5.091 4.262 ( -4.734 -3.322 -4.146) 7.116 4.321 ( 8.566 3.719 -0.776) 9.371 4.676 ( -1.671 -6.430 -0.920) 6.707 4.751 ( 2.542 -2.628 -2.863) 4.644 6.026 ( -2.045 4.089 8.512) 9.662 6.422 ( 2.493 10.375 1.821) 10.825 6.651 ( -1.220 3.372 -0.118) 3.588 6.741 ( -1.441 0.471 -1.696) 2.275 6.781 ( -4.853 -0.614 7.467) 8.927 7.034 ( 0.074 -2.440 -2.446) 3.456 7.216 ( -1.052 -3.862 -0.350) 4.018 7.344 ( -2.556 0.483 -2.675) 3.731 7.414 ( 3.981 3.191 3.355) 6.107 7.483 ( 5.754 1.496 1.596) 6.156 7.616 ( 3.994 -0.454 -1.238) 4.206 7.749 ( 0.373 0.649 0.440) 0.868 7.932 ( -1.822 6.282 -3.479) 7.409 8.268 ( 3.689 4.153 7.835) 9.605 8.307 ( 1.000 -2.329 -0.417) 2.568 8.430 ( 5.761 2.183 0.039) 6.161 8.643 ( 1.225 -8.461 0.002) 8.549 8.861 ( 0.286 1.772 -0.648) 1.908 8.947 ( -3.223 0.121 -1.962) 3.776 9.043 ( -1.356 -2.363 -3.016) 4.064 9.102 ( -1.307 -4.194 -1.782) 4.741 9.172 ( -0.766 -0.975 -0.008) 1.240 9.384 ( -0.688 4.208 -1.559) 4.540 9.687 ( 1.123 -2.577 -2.757) 3.938 ======================= Grid point 78 (36/136) ======================= q-point: (-0.12 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -11.451 17.061 8.400) 22.198 0.899 ( -14.641 15.345 14.768) 25.844 1.523 ( -17.233 30.128 19.290) 39.708 2.086 ( -2.381 1.821 2.333) 3.798 2.256 ( 4.509 2.873 0.869) 5.416 2.302 ( -2.062 -1.788 -0.816) 2.848 2.471 ( 0.659 -3.334 -1.816) 3.853 2.567 ( 1.880 -4.802 -1.548) 5.384 2.598 ( 0.260 1.827 -6.337) 6.601 2.775 ( 4.811 2.367 4.555) 7.036 2.795 ( -0.833 2.446 -1.286) 2.886 2.928 ( 2.369 -3.479 -0.381) 4.226 2.957 ( -1.058 -2.397 -0.004) 2.620 3.066 ( -0.500 -1.519 4.574) 4.846 3.312 ( -1.016 0.338 -1.344) 1.719 3.374 ( 8.159 -1.710 -0.232) 8.340 3.539 ( 1.026 3.017 2.266) 3.910 3.683 ( -1.384 -1.809 0.622) 2.361 3.763 ( -3.287 -2.403 -1.765) 4.438 3.874 ( -0.683 0.570 -3.245) 3.365 4.151 ( -5.246 -3.811 -2.047) 6.799 4.454 ( 4.974 1.511 -1.857) 5.520 4.636 ( -1.656 -9.851 -1.801) 10.151 4.787 ( 1.840 -2.380 -3.563) 4.663 6.037 ( 0.472 2.772 11.898) 12.225 6.523 ( 8.198 13.924 -0.459) 16.164 6.612 ( -1.723 4.727 -1.408) 5.224 6.706 ( -2.040 -5.167 1.200) 5.683 6.754 ( 0.647 2.502 6.565) 7.056 7.035 ( 0.725 -1.540 -2.566) 3.079 7.207 ( 0.033 -3.109 0.582) 3.163 7.300 ( -1.272 -0.242 -0.716) 1.479 7.484 ( 2.773 5.745 2.574) 6.879 7.563 ( 0.490 -2.203 1.128) 2.523 7.669 ( 1.532 -0.232 -2.639) 3.061 7.739 ( -1.358 0.533 -0.478) 1.535 7.923 ( 0.815 7.431 -1.475) 7.619 8.328 ( 1.369 -1.675 -0.901) 2.343 8.396 ( 6.427 1.991 5.820) 8.896 8.554 ( 4.859 1.047 -3.773) 6.240 8.632 ( -1.127 -6.657 1.784) 6.983 8.828 ( -2.268 0.654 -0.632) 2.444 8.881 ( -2.552 1.697 -1.765) 3.537 9.021 ( 0.234 -3.477 -0.615) 3.539 9.080 ( 0.082 -1.160 -2.732) 2.969 9.172 ( 0.322 -1.509 -1.355) 2.054 9.368 ( -0.414 5.245 -2.245) 5.720 9.669 ( -2.700 -2.318 -2.960) 4.629 ======================= Grid point 79 (37/136) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 1.300 20.849 10.762) 23.499 1.258 ( 2.130 24.756 6.467) 25.675 1.990 ( 2.222 6.304 6.381) 9.241 2.190 ( -3.289 20.890 5.747) 21.914 2.234 ( -0.192 1.347 -2.058) 2.467 2.330 ( 0.167 0.588 0.584) 0.845 2.421 ( -0.483 -0.972 -0.736) 1.311 2.462 ( 0.806 -5.549 0.545) 5.634 2.618 ( 1.441 -3.033 -6.806) 7.590 2.780 ( -2.125 -1.980 0.131) 2.907 2.838 ( 0.753 1.614 -5.295) 5.586 2.905 ( 0.081 -0.285 1.131) 1.169 2.960 ( 2.572 3.447 1.151) 4.453 3.085 ( -1.214 1.413 5.639) 5.939 3.308 ( -0.376 -2.291 -1.446) 2.736 3.499 ( 3.851 1.287 0.673) 4.116 3.561 ( -2.836 1.129 2.152) 3.735 3.613 ( -2.845 -0.811 -0.803) 3.065 3.715 ( 0.101 2.035 -0.048) 2.038 3.882 ( 0.354 -0.372 -1.699) 1.775 3.964 ( 0.202 -7.189 1.164) 7.285 4.317 ( -1.555 -16.390 -1.565) 16.538 4.520 ( 1.047 0.314 0.009) 1.093 4.730 ( 0.333 -4.772 -1.616) 5.049 6.143 ( -0.482 5.211 8.297) 9.810 6.566 ( 0.590 -7.529 2.962) 8.112 6.663 ( -0.703 1.936 -2.456) 3.205 6.742 ( 0.873 3.072 3.297) 4.591 6.832 ( 1.541 0.738 6.217) 6.447 7.072 ( 2.641 -3.360 3.539) 5.549 7.226 ( 1.836 3.208 3.367) 5.000 7.309 ( 0.871 1.962 -0.715) 2.263 7.523 ( -2.358 1.804 0.368) 2.992 7.610 ( -1.338 1.868 1.159) 2.573 7.678 ( -0.039 1.639 -3.564) 3.923 7.734 ( -1.755 2.319 -0.894) 3.042 8.077 ( -1.029 8.902 -6.031) 10.801 8.286 ( -0.127 -4.026 0.947) 4.137 8.406 ( -4.004 -1.187 -4.397) 6.064 8.502 ( 2.773 -1.854 -1.656) 3.724 8.572 ( -4.146 -2.960 -2.636) 5.735 8.760 ( -0.858 -4.158 0.669) 4.298 8.947 ( 3.480 0.675 1.081) 3.706 8.993 ( 2.575 -2.013 0.648) 3.332 9.086 ( 2.142 -0.392 -0.425) 2.218 9.136 ( -0.134 -1.955 -2.811) 3.426 9.453 ( -0.303 4.195 -3.551) 5.505 9.595 ( -1.648 0.080 -1.481) 2.217 ======================= Grid point 80 (38/136) ======================= q-point: ( 0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 7.395 18.562 10.468) 22.557 1.324 ( 2.589 22.237 8.019) 23.780 2.055 ( 1.649 -0.426 6.270) 6.497 2.201 ( 1.060 8.783 -2.575) 9.214 2.240 ( 1.886 10.329 1.781) 10.650 2.338 ( 0.652 -1.227 2.570) 2.921 2.414 ( 0.206 3.906 -0.235) 3.919 2.476 ( 1.046 -3.693 0.633) 3.890 2.593 ( -2.266 -2.425 -5.627) 6.533 2.736 ( -2.658 -1.454 0.350) 3.050 2.833 ( 0.345 3.296 -4.284) 5.416 2.896 ( -1.041 -2.809 0.546) 3.045 3.030 ( 2.388 2.284 2.651) 4.237 3.071 ( -0.447 1.438 4.437) 4.685 3.280 ( -1.074 -3.285 -2.084) 4.036 3.443 ( -6.168 0.025 3.380) 7.034 3.478 ( -7.254 -0.573 -0.731) 7.314 3.605 ( 3.324 0.568 0.538) 3.414 3.730 ( 0.536 -0.216 -1.716) 1.811 3.883 ( 0.568 2.195 -0.435) 2.308 4.072 ( 7.785 -5.580 -0.024) 9.578 4.301 ( 0.005 -12.183 -2.856) 12.513 4.535 ( 0.332 -0.551 0.487) 0.806 4.721 ( -0.814 -4.252 -1.745) 4.668 6.153 ( -0.443 4.801 7.362) 8.800 6.571 ( -1.833 -6.541 1.748) 7.015 6.657 ( 1.171 3.339 -1.059) 3.693 6.778 ( 1.885 2.809 6.092) 6.969 6.890 ( 2.259 0.785 7.008) 7.405 7.124 ( 1.417 -3.662 5.166) 6.489 7.240 ( -1.764 1.607 6.106) 6.556 7.344 ( 2.014 2.766 -0.958) 3.554 7.454 ( -3.828 2.257 -2.391) 5.046 7.554 ( -3.995 -0.908 -0.546) 4.133 7.658 ( -0.937 6.564 -4.629) 8.087 7.706 ( -0.438 1.659 0.183) 1.725 8.038 ( -0.671 8.233 -5.712) 10.043 8.244 ( -4.837 -1.652 -2.275) 5.595 8.331 ( -1.163 -0.849 -3.852) 4.112 8.464 ( -4.957 -2.328 -2.169) 5.890 8.536 ( 0.904 -4.859 -0.004) 4.942 8.752 ( -0.249 -5.240 -0.723) 5.296 9.003 ( 1.357 0.321 -1.354) 1.943 9.029 ( 1.644 -0.796 1.928) 2.656 9.120 ( -0.900 -1.312 -1.806) 2.407 9.161 ( 3.985 -1.551 3.689) 5.647 9.437 ( -0.226 3.733 -3.792) 5.326 9.566 ( -0.723 -0.371 -3.781) 3.867 ======================= Grid point 81 (39/136) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 7.229 14.893 6.249) 17.695 1.498 ( 9.915 14.424 8.053) 19.266 2.058 ( -3.018 2.664 2.272) 4.622 2.189 ( -0.713 3.036 -0.549) 3.166 2.243 ( -1.980 -0.351 0.746) 2.144 2.350 ( -2.557 -0.972 -1.738) 3.241 2.427 ( 1.683 -3.690 3.780) 5.544 2.483 ( -2.120 -0.003 -4.987) 5.419 2.570 ( 1.587 -1.753 1.200) 2.652 2.681 ( -2.076 4.530 -0.172) 4.986 2.842 ( -1.011 2.012 1.565) 2.742 2.875 ( 1.621 -0.786 -1.295) 2.219 2.994 ( -3.338 -0.040 2.535) 4.192 3.131 ( 0.402 2.127 0.974) 2.373 3.252 ( -0.999 -4.264 -2.919) 5.263 3.332 ( -2.712 1.140 4.165) 5.099 3.424 ( 1.449 -1.972 1.918) 3.109 3.666 ( 2.141 2.745 0.170) 3.486 3.734 ( 1.782 -2.255 -4.267) 5.145 3.885 ( -1.000 6.355 1.722) 6.660 4.213 ( 5.990 -6.074 -0.583) 8.550 4.278 ( -2.217 -3.813 -3.146) 5.418 4.535 ( -0.296 -1.076 -0.554) 1.246 4.698 ( -0.763 -3.697 -1.378) 4.019 6.164 ( -0.184 4.240 6.490) 7.754 6.512 ( -3.626 -2.007 1.126) 4.294 6.698 ( 2.461 4.503 0.436) 5.150 6.836 ( 2.132 1.685 6.255) 6.820 6.941 ( 0.861 0.805 6.830) 6.931 7.139 ( -2.071 2.373 3.693) 4.853 7.207 ( -1.861 -4.047 6.789) 8.120 7.327 ( -3.374 3.699 -3.539) 6.132 7.382 ( -2.937 -0.724 -2.373) 3.845 7.508 ( 0.678 1.917 1.588) 2.580 7.638 ( 0.048 8.411 -2.025) 8.651 7.714 ( 0.662 -0.054 -1.045) 1.238 8.027 ( 0.504 5.433 -4.767) 7.245 8.140 ( -3.284 -1.066 -3.799) 5.133 8.298 ( -1.449 -1.146 -3.652) 4.093 8.394 ( -2.326 -1.807 1.066) 3.132 8.537 ( -1.171 -5.546 2.530) 6.207 8.751 ( 0.647 -6.110 -1.589) 6.346 9.006 ( 0.019 -0.395 -3.229) 3.253 9.069 ( 0.062 1.683 3.413) 3.806 9.084 ( -0.550 -0.968 -2.938) 3.142 9.237 ( 2.012 -2.712 4.888) 5.941 9.430 ( 0.610 2.554 -3.679) 4.520 9.544 ( -0.327 -2.009 -5.456) 5.824 ======================= Grid point 82 (40/136) ======================= q-point: ( 0.38 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 11.800 6.041 3.096) 13.613 1.694 ( 7.469 9.647 5.262) 13.287 1.966 ( -5.486 7.062 -0.075) 8.943 2.137 ( -5.432 -4.737 3.972) 8.229 2.207 ( -5.456 3.893 -0.945) 6.768 2.246 ( -1.546 1.138 -2.731) 3.338 2.428 ( -1.948 -4.369 -2.581) 5.435 2.494 ( 2.976 -8.719 3.566) 9.879 2.557 ( -1.824 -2.676 -0.538) 3.283 2.657 ( -0.688 5.333 -2.102) 5.773 2.775 ( -3.869 -1.971 1.474) 4.585 2.944 ( -2.097 1.164 1.381) 2.768 2.972 ( 2.472 3.846 4.500) 6.416 3.086 ( 0.058 -4.538 -1.147) 4.681 3.212 ( -1.882 -4.062 -2.189) 4.983 3.387 ( 4.355 2.382 -0.402) 4.980 3.506 ( 4.991 -1.690 3.929) 6.573 3.671 ( -0.512 -0.250 -2.114) 2.189 3.825 ( 6.889 4.794 -0.849) 8.436 3.848 ( -2.562 9.769 2.493) 10.402 4.169 ( -7.295 4.850 -2.331) 9.065 4.313 ( 3.504 -6.976 -0.707) 7.839 4.524 ( -0.218 -1.986 -1.382) 2.429 4.690 ( 0.171 -3.521 -1.307) 3.759 6.176 ( -0.339 3.851 6.230) 7.332 6.455 ( -2.092 0.592 1.610) 2.705 6.740 ( 1.372 5.306 0.831) 5.543 6.887 ( 1.125 1.777 5.768) 6.139 6.956 ( -0.469 1.853 4.019) 4.450 7.069 ( -4.415 2.439 1.709) 5.326 7.204 ( -0.925 -5.726 5.110) 7.730 7.273 ( -1.004 4.468 -0.116) 4.581 7.316 ( -2.436 0.150 -1.269) 2.751 7.540 ( 0.954 1.846 -0.435) 2.123 7.647 ( 0.907 4.115 0.192) 4.218 7.698 ( -1.865 1.808 -3.125) 4.064 8.027 ( 1.963 3.330 -5.070) 6.376 8.135 ( 2.348 -4.230 -1.206) 4.986 8.275 ( 0.127 -0.024 -1.623) 1.629 8.354 ( -1.965 -0.840 2.694) 3.438 8.495 ( -3.845 -2.969 2.618) 5.519 8.772 ( 1.718 -6.690 -1.890) 7.161 8.988 ( -0.774 0.884 -2.529) 2.788 9.042 ( -0.927 1.367 0.350) 1.689 9.106 ( 1.046 -0.741 -0.625) 1.426 9.256 ( -0.981 -3.558 2.925) 4.709 9.440 ( 1.061 1.335 -3.423) 3.825 9.532 ( 0.680 -3.076 -4.846) 5.780 ======================= Grid point 83 (41/136) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -3.572 6.984 0.901) 7.896 1.838 ( 2.949 4.798 2.152) 6.029 1.909 ( -0.163 4.761 -0.245) 4.770 1.986 ( -6.912 -4.536 4.653) 9.487 2.122 ( 1.552 3.496 -2.084) 4.357 2.272 ( 2.617 -0.076 0.892) 2.766 2.381 ( -2.333 -6.454 -2.234) 7.217 2.525 ( 0.999 1.701 -2.461) 3.154 2.552 ( 0.357 -8.923 2.245) 9.208 2.653 ( 1.079 2.587 -0.694) 2.888 2.741 ( 0.779 -0.033 0.987) 1.258 2.886 ( -4.022 0.835 2.154) 4.638 2.977 ( -0.401 1.793 1.693) 2.499 3.109 ( -1.472 -2.160 0.735) 2.715 3.220 ( 3.522 -7.027 -2.119) 8.141 3.448 ( 1.543 -0.615 -0.415) 1.712 3.592 ( 0.979 -3.098 2.564) 4.139 3.667 ( 1.616 2.434 0.059) 2.922 3.774 ( -3.475 10.117 1.541) 10.808 3.944 ( -3.853 11.017 -1.781) 11.806 4.066 ( 5.496 6.459 1.252) 8.572 4.333 ( -1.221 -5.520 -2.483) 6.174 4.541 ( 2.234 -3.611 0.597) 4.288 4.685 ( -0.548 -3.792 -2.125) 4.381 6.176 ( -1.353 4.495 6.284) 7.844 6.446 ( 0.710 1.610 2.442) 3.010 6.753 ( -0.386 4.863 0.598) 4.915 6.884 ( -2.628 1.002 4.728) 5.501 6.951 ( -1.520 7.096 0.561) 7.278 7.009 ( -1.307 -3.030 1.339) 3.561 7.186 ( -2.091 -5.525 4.086) 7.183 7.275 ( 0.990 4.059 2.131) 4.690 7.309 ( 2.330 1.146 -0.324) 2.616 7.545 ( 0.344 3.424 -2.449) 4.223 7.608 ( -3.788 -3.661 -2.793) 5.963 7.698 ( 2.215 6.807 -0.536) 7.178 8.084 ( 3.965 3.561 -6.344) 8.285 8.162 ( -0.288 -5.849 3.286) 6.715 8.295 ( 1.776 1.237 0.725) 2.283 8.353 ( 0.507 -4.487 4.097) 6.097 8.414 ( -3.167 1.730 -0.498) 3.643 8.798 ( 1.172 -6.841 -1.929) 7.204 8.985 ( 1.051 1.159 -1.030) 1.873 9.028 ( -0.884 1.664 0.887) 2.082 9.113 ( -0.053 -1.149 -2.433) 2.691 9.225 ( -2.416 -3.723 0.843) 4.517 9.447 ( 0.518 0.906 -3.196) 3.362 9.551 ( 2.128 -3.483 -3.106) 5.129 ======================= Grid point 84 (42/136) ======================= q-point: (-0.38 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -13.258 7.178 0.462) 15.083 1.702 ( -13.157 9.203 5.496) 16.971 1.903 ( 2.627 3.546 -0.708) 4.470 2.023 ( 5.022 -1.102 -1.303) 5.304 2.232 ( 4.817 1.944 0.995) 5.289 2.323 ( -1.721 -6.125 -1.055) 6.449 2.346 ( 3.523 -4.635 -1.006) 5.908 2.550 ( 0.507 -5.617 -3.353) 6.561 2.589 ( 5.288 3.224 1.214) 6.311 2.692 ( 2.315 0.163 0.688) 2.421 2.784 ( -2.661 7.396 4.233) 8.927 2.822 ( 2.562 -3.723 -1.453) 4.747 2.985 ( 1.069 3.209 1.123) 3.564 3.063 ( -2.496 -2.475 -0.004) 3.515 3.264 ( 0.413 -4.782 -2.535) 5.428 3.422 ( -5.604 3.668 1.478) 6.859 3.530 ( -4.004 -2.015 5.909) 7.417 3.726 ( 0.826 -1.894 -0.611) 2.155 3.772 ( 4.257 6.968 -0.529) 8.183 3.821 ( -4.529 7.857 -0.209) 9.071 4.237 ( 4.899 2.202 -0.827) 5.434 4.278 ( -0.317 -1.494 -0.982) 1.816 4.584 ( 0.174 -5.633 1.470) 5.824 4.662 ( -0.149 -3.688 -2.989) 4.749 6.157 ( -2.049 5.748 6.486) 8.905 6.489 ( 2.587 1.632 3.106) 4.359 6.723 ( -2.475 2.986 -0.290) 3.889 6.830 ( -3.510 2.154 1.660) 4.440 6.904 ( -3.042 4.245 3.105) 6.076 6.997 ( -0.417 -1.705 -2.001) 2.662 7.154 ( -1.523 -4.417 3.277) 5.706 7.337 ( 4.581 1.874 2.687) 5.632 7.389 ( 4.609 1.695 -1.296) 5.079 7.503 ( -3.621 3.901 0.949) 5.407 7.577 ( 1.619 0.145 -3.767) 4.102 7.750 ( 2.646 3.454 0.769) 4.419 8.097 ( -0.838 5.705 -4.778) 7.489 8.186 ( 1.901 -4.692 2.695) 5.735 8.313 ( -1.024 1.601 2.974) 3.529 8.368 ( 3.247 -2.803 3.129) 5.309 8.439 ( 3.358 -1.855 -1.652) 4.176 8.810 ( 0.747 -6.730 -1.129) 6.865 9.003 ( -0.705 0.314 -0.153) 0.787 9.011 ( -0.306 1.179 -0.926) 1.530 9.093 ( -0.993 -0.826 -3.917) 4.125 9.174 ( -2.321 -2.734 -0.117) 3.588 9.449 ( 0.509 1.622 -2.399) 2.940 9.592 ( 2.449 -3.510 -1.956) 4.705 ======================= Grid point 85 (43/136) ======================= q-point: (-0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -11.596 14.110 1.629) 18.336 1.460 ( -12.247 14.599 6.786) 20.228 1.938 ( 1.011 3.353 0.243) 3.511 2.163 ( 8.244 -0.019 -1.338) 8.352 2.276 ( 0.239 0.188 0.375) 0.482 2.287 ( -0.604 -4.245 -1.010) 4.405 2.405 ( 1.730 -3.352 -1.175) 3.951 2.556 ( 0.860 -5.407 -4.713) 7.224 2.638 ( -8.035 11.515 4.585) 14.771 2.712 ( 5.716 3.147 1.624) 6.724 2.776 ( 2.904 -0.889 -0.899) 3.167 2.897 ( 1.777 1.587 -0.673) 2.476 2.997 ( -3.093 0.593 0.890) 3.273 3.077 ( 5.743 1.321 2.191) 6.287 3.212 ( -2.140 3.476 -1.289) 4.281 3.313 ( -2.996 -2.025 0.246) 3.625 3.526 ( 0.964 -3.786 5.257) 6.550 3.700 ( -2.723 1.635 0.732) 3.260 3.780 ( -0.381 -0.089 -1.494) 1.544 3.856 ( 3.006 2.469 -0.377) 3.909 4.158 ( -5.486 -6.110 -2.057) 8.465 4.387 ( 3.909 0.256 1.136) 4.079 4.529 ( -4.045 -5.878 -1.413) 7.274 4.685 ( 2.017 -3.700 -1.423) 4.448 6.136 ( -1.654 6.379 7.243) 9.792 6.548 ( 2.051 -2.091 2.462) 3.826 6.678 ( -1.135 3.186 0.468) 3.415 6.756 ( -3.534 2.520 -1.682) 4.655 6.850 ( -3.409 3.727 5.012) 7.116 6.992 ( 0.658 -1.515 -2.115) 2.684 7.151 ( 0.318 -1.159 2.836) 3.080 7.374 ( -2.928 1.867 -3.332) 4.813 7.455 ( 5.060 0.844 1.537) 5.355 7.534 ( 4.064 2.803 4.261) 6.522 7.615 ( 2.969 1.383 -2.860) 4.349 7.787 ( 0.361 2.333 2.253) 3.263 8.073 ( 0.146 7.267 -4.115) 8.353 8.233 ( 2.119 -3.292 2.370) 4.576 8.338 ( 3.117 1.225 1.386) 3.625 8.449 ( 2.505 -7.570 3.717) 8.797 8.503 ( 4.458 2.002 -2.395) 5.442 8.827 ( 0.523 -5.854 0.983) 5.959 8.953 ( -3.054 0.534 -2.464) 3.960 8.980 ( -2.632 -1.365 -3.019) 4.231 9.066 ( -0.386 -0.272 -3.395) 3.428 9.151 ( -0.146 -1.329 -0.567) 1.452 9.456 ( 0.617 2.902 -1.816) 3.479 9.627 ( 1.300 -3.089 -1.400) 3.632 ======================= Grid point 86 (44/136) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.036 21.508 5.248) 22.346 1.279 ( -6.933 20.607 7.434) 22.977 1.954 ( 0.517 5.166 3.069) 6.031 2.246 ( -0.192 1.068 -1.104) 1.548 2.262 ( -2.268 2.990 2.175) 4.337 2.319 ( 2.011 4.234 1.196) 4.837 2.415 ( 0.461 -1.313 -1.337) 1.930 2.477 ( -4.744 4.384 2.953) 7.103 2.591 ( 2.206 -2.974 -6.026) 7.073 2.798 ( 1.542 0.677 1.529) 2.275 2.822 ( 2.161 -0.743 -4.001) 4.608 2.899 ( -0.664 2.773 0.557) 2.906 2.941 ( -0.921 1.419 -1.311) 2.140 3.099 ( -1.854 4.054 6.251) 7.678 3.289 ( 1.825 -2.170 -1.151) 3.060 3.348 ( 9.453 -0.376 0.178) 9.462 3.572 ( 2.218 -1.197 1.948) 3.185 3.645 ( -2.952 0.087 2.162) 3.660 3.751 ( -2.391 -0.195 -1.327) 2.741 3.882 ( 0.189 0.040 -1.483) 1.496 4.042 ( -5.783 -6.248 -0.218) 8.516 4.378 ( -3.865 -14.653 0.075) 15.154 4.497 ( 1.138 2.073 -1.269) 2.684 4.716 ( 1.397 -4.444 -1.417) 4.869 6.132 ( -0.727 5.931 8.253) 10.190 6.561 ( -0.617 -7.400 1.946) 7.677 6.691 ( -0.886 2.301 -2.458) 3.482 6.706 ( 1.259 4.456 1.634) 4.910 6.812 ( -1.287 2.677 5.600) 6.339 7.016 ( 2.096 -1.360 0.238) 2.510 7.178 ( 1.682 2.005 2.698) 3.759 7.320 ( -1.494 1.740 -1.785) 2.906 7.528 ( 1.685 0.304 1.286) 2.142 7.602 ( 1.528 3.984 2.776) 5.090 7.668 ( 2.358 -0.032 -3.095) 3.891 7.772 ( -1.966 2.087 0.954) 3.022 8.084 ( 1.441 7.894 -4.271) 9.090 8.272 ( 1.222 -2.689 1.517) 3.321 8.428 ( 4.786 -0.170 -0.213) 4.794 8.464 ( -0.935 -6.411 -0.628) 6.509 8.592 ( 3.061 0.514 -0.754) 3.194 8.800 ( -3.065 -3.659 1.087) 4.895 8.909 ( -0.667 0.906 -1.811) 2.132 8.945 ( 1.403 -2.748 -1.774) 3.560 9.064 ( 0.790 -0.268 -2.447) 2.585 9.147 ( -0.146 -1.454 -1.927) 2.418 9.461 ( 0.298 3.896 -2.308) 4.538 9.629 ( -0.899 -1.810 -1.181) 2.340 ======================= Grid point 87 (45/136) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 1.256 17.823 6.877) 19.145 1.732 ( 2.163 20.520 2.287) 20.760 1.891 ( 0.896 -9.892 5.805) 11.504 2.132 ( 1.203 -15.433 0.793) 15.501 2.268 ( 1.101 2.375 -2.018) 3.306 2.318 ( 0.207 -1.892 -1.548) 2.454 2.415 ( -0.421 1.223 -1.865) 2.270 2.487 ( 0.715 -5.605 -3.969) 6.905 2.731 ( -1.555 10.089 0.024) 10.209 2.810 ( -0.088 -0.177 -2.876) 2.882 2.848 ( -0.185 2.573 -2.980) 3.941 2.903 ( -0.997 -1.306 -1.224) 2.049 3.103 ( 0.303 5.668 0.155) 5.678 3.180 ( 0.177 3.779 -1.059) 3.929 3.283 ( -0.898 11.177 3.629) 11.785 3.539 ( 2.332 1.666 1.002) 3.036 3.587 ( -2.175 -1.013 -1.273) 2.716 3.608 ( -2.255 -0.962 1.056) 2.669 3.711 ( 0.640 -2.188 3.818) 4.447 3.812 ( 2.768 -7.040 3.899) 8.510 3.871 ( -1.008 -0.392 -0.822) 1.358 3.960 ( -2.126 -14.126 1.671) 14.382 4.552 ( 0.321 2.736 0.230) 2.764 4.629 ( 0.285 -4.714 -0.119) 4.724 6.265 ( -0.353 6.648 5.793) 8.825 6.410 ( 0.146 -7.520 3.886) 8.466 6.698 ( 0.283 1.991 -0.746) 2.144 6.743 ( 1.390 -2.107 1.453) 2.913 6.897 ( 0.206 4.528 7.533) 8.791 6.987 ( 0.704 -4.353 7.206) 8.448 7.311 ( 1.406 3.890 1.193) 4.305 7.346 ( 1.460 0.698 -0.804) 1.807 7.555 ( -1.765 1.678 -1.342) 2.780 7.598 ( -2.654 -2.233 -2.573) 4.319 7.735 ( 0.832 3.038 1.014) 3.309 7.767 ( -0.790 0.253 1.560) 1.767 8.218 ( 0.275 2.386 -5.767) 6.247 8.240 ( -1.884 -0.152 -2.404) 3.058 8.358 ( -1.309 1.454 -0.954) 2.177 8.461 ( 0.176 -5.119 -5.438) 7.470 8.566 ( -3.050 3.303 -1.445) 4.722 8.657 ( -1.523 -5.315 -0.682) 5.570 8.956 ( 2.985 0.335 2.130) 3.682 8.965 ( 2.934 -0.763 2.133) 3.707 9.084 ( 1.338 0.291 -1.736) 2.211 9.101 ( 0.169 -1.377 -2.549) 2.902 9.529 ( -0.474 3.190 -2.637) 4.167 9.579 ( -0.835 -1.699 -2.018) 2.767 ======================= Grid point 88 (46/136) ======================= q-point: ( 0.12 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 4.989 16.810 7.413) 19.037 1.764 ( -0.058 20.047 4.208) 20.484 1.949 ( 3.338 -9.761 6.478) 12.181 2.131 ( -2.014 -14.232 2.380) 14.569 2.277 ( 0.702 2.020 -1.154) 2.430 2.318 ( 0.075 -1.152 -1.685) 2.043 2.384 ( -2.133 0.851 -1.969) 3.025 2.471 ( -1.390 -6.148 -4.266) 7.611 2.701 ( -1.716 8.728 -2.400) 9.213 2.796 ( -0.415 0.151 -1.703) 1.760 2.846 ( 0.553 1.388 -3.519) 3.823 2.878 ( -0.500 -0.520 -2.366) 2.474 3.069 ( -3.452 3.079 0.493) 4.652 3.171 ( -2.034 -4.816 -2.798) 5.929 3.313 ( 3.206 17.737 3.106) 18.290 3.448 ( -8.088 0.447 3.624) 8.874 3.464 ( -7.139 -0.219 2.807) 7.674 3.625 ( 2.284 -5.702 -2.464) 6.619 3.709 ( 0.473 4.138 2.508) 4.862 3.915 ( 4.881 -6.909 3.286) 9.075 3.944 ( 5.164 -2.208 1.634) 5.849 4.026 ( 7.207 -9.005 -1.059) 11.582 4.561 ( 0.375 2.622 0.224) 2.658 4.632 ( -0.058 -4.147 -0.289) 4.158 6.274 ( -0.317 6.785 5.286) 8.607 6.421 ( -0.193 -7.598 3.322) 8.295 6.728 ( 2.742 3.719 0.668) 4.668 6.795 ( 3.206 -2.092 2.409) 4.523 6.926 ( 0.377 3.607 8.748) 9.470 7.019 ( 0.429 -5.254 8.233) 9.776 7.329 ( -0.363 5.383 2.890) 6.121 7.389 ( 2.426 0.587 -1.215) 2.776 7.477 ( -5.032 0.457 -3.487) 6.139 7.511 ( -4.692 -2.983 -1.620) 5.791 7.755 ( 0.436 3.097 0.413) 3.155 7.770 ( 1.222 2.614 1.244) 3.142 8.166 ( -3.206 2.391 -6.008) 7.217 8.180 ( -3.632 -1.990 -3.703) 5.556 8.320 ( -1.688 1.618 -2.021) 3.091 8.405 ( -3.169 -4.191 -4.035) 6.625 8.524 ( -1.075 3.391 -1.948) 4.056 8.629 ( -1.186 -6.248 -1.325) 6.496 9.008 ( 1.134 0.387 -0.701) 1.388 9.019 ( 2.234 -0.507 1.841) 2.939 9.106 ( 0.727 0.240 -0.348) 0.841 9.127 ( 2.705 -1.558 1.837) 3.622 9.503 ( -1.154 2.801 -3.445) 4.588 9.548 ( -1.541 -1.544 -3.281) 3.940 ======================= Grid point 89 (47/136) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.120 16.222 5.225) 17.043 1.806 ( 5.824 14.391 4.515) 16.168 2.041 ( 3.061 -6.145 4.564) 8.244 2.074 ( -3.132 -13.114 4.722) 14.286 2.292 ( 0.532 -0.457 0.218) 0.734 2.301 ( -1.983 2.396 -1.430) 3.423 2.323 ( -3.143 -1.589 -1.323) 3.762 2.409 ( -3.519 -5.180 -4.970) 7.995 2.651 ( -2.242 6.261 -3.165) 7.365 2.762 ( -2.634 -3.629 -0.153) 4.487 2.841 ( -0.834 5.531 -5.793) 8.053 2.901 ( 3.554 -0.475 -3.338) 4.899 2.995 ( -3.038 1.008 1.055) 3.370 3.084 ( -5.541 -6.454 -2.622) 8.902 3.289 ( -5.866 4.167 5.197) 8.876 3.346 ( -2.437 -1.784 2.402) 3.859 3.458 ( 4.340 8.520 4.007) 10.367 3.631 ( -0.218 -6.486 -1.408) 6.640 3.804 ( 7.750 9.399 0.203) 12.184 4.008 ( 3.141 1.867 2.268) 4.300 4.047 ( 5.133 -6.815 1.561) 8.673 4.152 ( 4.847 -6.861 -1.852) 8.602 4.558 ( -0.976 2.670 -0.008) 2.843 4.623 ( -0.711 -3.554 -0.456) 3.653 6.278 ( -0.434 6.573 4.419) 7.932 6.415 ( -1.023 -6.442 2.248) 6.899 6.798 ( 3.495 4.865 1.481) 6.171 6.869 ( 3.382 -0.843 2.643) 4.374 6.947 ( -0.602 2.270 8.574) 8.889 7.046 ( 0.437 -6.384 7.734) 10.038 7.293 ( -4.184 7.379 3.565) 9.201 7.368 ( -3.698 0.113 -3.453) 5.061 7.379 ( -2.992 0.855 -3.591) 4.751 7.471 ( -0.150 -6.162 1.989) 6.477 7.764 ( 0.666 6.517 0.802) 6.599 7.816 ( 2.820 4.399 1.169) 5.354 8.071 ( -5.634 -3.058 -5.164) 8.232 8.084 ( -3.344 -1.072 -5.371) 6.417 8.299 ( 0.257 2.052 -2.177) 3.002 8.355 ( -1.037 -2.321 -1.205) 2.813 8.504 ( -0.688 2.324 -0.013) 2.424 8.609 ( -0.404 -7.051 -1.025) 7.137 9.016 ( 0.458 1.289 -2.502) 2.852 9.050 ( 0.876 -1.835 -2.006) 2.856 9.117 ( -0.069 2.664 2.418) 3.598 9.177 ( 1.042 -3.114 3.399) 4.726 9.473 ( -0.716 1.822 -3.970) 4.427 9.508 ( -1.315 -1.641 -4.270) 4.760 ======================= Grid point 90 (48/136) ======================= q-point: ( 0.38 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.903 8.757 2.886) 9.666 1.901 ( 1.428 6.148 0.427) 6.326 2.021 ( -0.835 -2.980 5.554) 6.358 2.102 ( -0.807 2.283 1.368) 2.781 2.218 ( -4.754 -1.901 -0.550) 5.149 2.274 ( -1.514 1.501 -2.275) 3.118 2.306 ( -0.178 -6.305 3.007) 6.987 2.323 ( -2.653 -4.660 -2.462) 5.900 2.610 ( -0.924 5.297 -2.789) 6.058 2.712 ( -1.994 -4.154 -0.888) 4.693 2.787 ( -2.021 7.409 -5.162) 9.254 2.953 ( 0.128 -7.894 -7.636) 10.984 2.971 ( -1.092 1.125 1.714) 2.323 2.999 ( 1.007 -1.029 1.576) 2.134 3.209 ( -3.663 4.211 6.590) 8.636 3.331 ( -0.524 -6.389 4.143) 7.633 3.548 ( 3.622 4.611 0.936) 5.938 3.633 ( 0.936 -3.291 -1.456) 3.719 3.966 ( 6.097 8.466 1.149) 10.496 4.054 ( 3.104 9.216 1.024) 9.778 4.147 ( 3.177 -8.030 0.218) 8.638 4.201 ( 1.437 -3.502 -1.404) 4.037 4.523 ( -2.228 2.482 -0.213) 3.342 4.604 ( -1.080 -4.650 -0.467) 4.797 6.281 ( -0.295 6.064 4.155) 7.357 6.401 ( -0.693 -5.085 2.233) 5.597 6.848 ( 1.030 4.812 1.745) 5.222 6.929 ( 0.741 -3.160 2.745) 4.251 6.954 ( 0.444 4.751 6.016) 7.678 7.071 ( -0.117 -6.377 5.307) 8.297 7.210 ( -4.467 9.571 2.504) 10.855 7.318 ( -0.653 -0.190 -0.023) 0.681 7.321 ( -1.662 1.106 -1.502) 2.498 7.439 ( -2.897 -9.819 -0.604) 10.255 7.773 ( -0.555 9.714 -0.251) 9.733 7.872 ( 1.469 9.492 0.151) 9.607 7.973 ( -1.778 -8.357 -1.971) 8.768 8.036 ( 0.442 -4.963 -3.862) 6.304 8.309 ( 0.753 2.747 -0.605) 2.912 8.345 ( -0.188 -0.385 0.962) 1.053 8.493 ( -0.694 2.696 0.086) 2.785 8.611 ( 0.694 -8.119 -1.196) 8.236 9.018 ( 0.470 1.890 -2.742) 3.363 9.053 ( 0.468 -1.080 -2.575) 2.831 9.114 ( -0.839 2.237 2.314) 3.326 9.179 ( -1.318 -3.748 2.228) 4.555 9.459 ( 0.235 0.803 -4.048) 4.134 9.483 ( 0.021 -1.722 -3.999) 4.354 ======================= Grid point 91 (49/136) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -1.596 2.392 1.546) 3.265 1.899 ( 0.889 -1.024 0.212) 1.372 2.005 ( -2.515 6.198 1.503) 6.855 2.037 ( -4.745 6.681 -0.485) 8.209 2.152 ( 0.127 -1.170 -1.883) 2.221 2.232 ( -2.775 -7.206 -1.725) 7.913 2.284 ( 1.283 1.027 1.197) 2.033 2.363 ( 2.707 -7.060 2.212) 7.878 2.609 ( 1.789 5.115 -2.177) 5.840 2.687 ( 0.065 -1.970 -1.541) 2.502 2.764 ( 0.962 5.381 -3.971) 6.757 2.912 ( -0.994 -5.510 -2.701) 6.216 2.972 ( 0.541 2.526 -1.429) 2.952 3.051 ( 2.221 -4.162 -0.437) 4.737 3.173 ( -1.809 5.081 7.068) 8.891 3.332 ( -0.695 -8.796 5.923) 10.627 3.602 ( 1.391 2.757 0.423) 3.117 3.655 ( 1.295 -2.026 -0.868) 2.556 3.978 ( -2.438 8.973 0.398) 9.306 4.110 ( -4.955 -0.579 -1.768) 5.292 4.196 ( 7.739 5.728 1.284) 9.714 4.241 ( 0.537 -0.960 1.610) 1.950 4.492 ( -0.210 0.169 -0.324) 0.422 4.577 ( -1.202 -6.318 -1.361) 6.573 6.287 ( -0.284 6.157 4.605) 7.694 6.406 ( 0.503 -4.809 3.116) 5.753 6.859 ( -0.364 4.773 1.781) 5.107 6.922 ( -1.728 0.614 5.219) 5.532 6.956 ( -2.159 -0.042 -0.071) 2.161 7.040 ( -3.869 -4.471 0.239) 5.918 7.155 ( -1.183 8.890 3.300) 9.556 7.305 ( -1.024 -1.687 0.224) 1.986 7.335 ( 2.952 1.442 1.102) 3.465 7.421 ( 2.154 -8.988 -0.353) 9.249 7.738 ( -2.007 9.669 -2.281) 10.135 7.845 ( -2.101 4.032 -3.115) 5.511 8.015 ( 3.664 -4.324 4.076) 6.981 8.078 ( 3.685 -5.361 -0.722) 6.546 8.312 ( -0.754 3.431 1.608) 3.863 8.352 ( 0.410 0.342 0.990) 1.124 8.472 ( -0.729 4.344 -1.994) 4.835 8.619 ( 0.440 -9.406 -1.647) 9.559 9.026 ( 0.971 2.443 -2.062) 3.341 9.064 ( 1.023 0.123 -1.250) 1.620 9.093 ( -1.705 0.712 0.238) 1.863 9.149 ( -1.854 -3.545 0.721) 4.065 9.460 ( 0.918 0.780 -3.609) 3.805 9.491 ( 1.540 -2.283 -2.939) 4.027 ======================= Grid point 92 (50/136) ======================= q-point: (-0.38 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -6.771 9.180 0.911) 11.443 1.883 ( -6.681 4.527 0.081) 8.071 1.943 ( 0.696 -3.490 2.206) 4.187 1.987 ( -1.197 1.900 -2.268) 3.192 2.194 ( -0.013 -3.750 -0.411) 3.773 2.227 ( 5.730 -4.188 -1.050) 7.174 2.320 ( 1.801 3.065 -0.585) 3.603 2.411 ( 1.931 -5.898 -1.184) 6.318 2.674 ( 4.761 3.789 -0.637) 6.118 2.711 ( 2.362 0.088 -0.734) 2.475 2.797 ( 3.155 2.743 -4.733) 6.315 2.902 ( 0.477 -2.277 -1.882) 2.992 2.985 ( 1.408 2.893 -2.481) 4.063 3.079 ( 1.066 -1.707 1.106) 2.297 3.175 ( 0.432 2.736 4.945) 5.668 3.339 ( 0.052 -9.142 6.766) 11.373 3.583 ( -4.064 4.977 2.216) 6.797 3.669 ( -0.088 -3.353 0.011) 3.354 3.915 ( -3.632 7.022 -1.157) 7.990 3.994 ( -5.156 3.144 -1.171) 6.151 4.191 ( -4.863 1.797 1.894) 5.520 4.307 ( 0.928 -3.475 2.946) 4.649 4.502 ( 1.100 0.338 -1.002) 1.526 4.574 ( 1.694 -4.688 -1.820) 5.307 6.289 ( -0.929 7.010 5.035) 8.681 6.427 ( 0.376 -6.066 3.656) 7.093 6.822 ( -3.577 5.665 -0.807) 6.748 6.877 ( -3.685 1.735 0.495) 4.104 6.919 ( -1.632 -1.362 4.349) 4.841 6.959 ( -2.716 -4.165 -0.185) 4.976 7.169 ( 1.625 6.846 2.107) 7.344 7.314 ( 2.094 -4.898 0.137) 5.329 7.423 ( 4.672 1.838 0.611) 5.057 7.472 ( 2.259 -3.322 0.185) 4.021 7.706 ( -0.451 8.500 -1.131) 8.587 7.809 ( -0.786 -0.066 -1.132) 1.380 8.104 ( 4.130 -0.972 4.647) 6.293 8.157 ( 4.034 -3.761 -0.344) 5.526 8.285 ( -1.912 3.373 1.121) 4.037 8.349 ( -0.876 -1.123 -0.384) 1.475 8.490 ( 3.109 4.528 -1.027) 5.588 8.632 ( 1.610 -9.153 -0.727) 9.322 9.027 ( -1.078 1.623 -1.917) 2.733 9.044 ( -2.923 0.910 -1.478) 3.399 9.080 ( 0.601 0.276 -2.013) 2.119 9.119 ( -0.776 -2.638 -0.413) 2.781 9.479 ( 1.701 1.622 -2.487) 3.422 9.525 ( 2.362 -2.918 -1.919) 4.216 ======================= Grid point 93 (51/136) ======================= q-point: (-0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -3.861 16.079 0.581) 16.546 1.749 ( -5.869 12.148 2.454) 13.713 1.933 ( -3.102 -6.599 0.719) 7.327 2.001 ( 3.803 -10.800 0.763) 11.475 2.221 ( 2.049 1.243 -1.758) 2.972 2.303 ( 1.821 -4.674 -1.843) 5.344 2.364 ( 2.951 3.117 -0.816) 4.369 2.440 ( 1.832 -4.653 -3.420) 6.058 2.756 ( 1.933 1.303 0.512) 2.387 2.761 ( 2.931 0.374 -0.110) 2.957 2.846 ( 2.455 4.790 -4.389) 6.945 2.918 ( 1.222 -1.794 -2.527) 3.331 3.018 ( 2.476 5.170 -2.176) 6.131 3.133 ( 4.253 -2.263 -0.386) 4.833 3.222 ( 4.163 4.370 4.628) 7.605 3.378 ( 2.314 -6.243 4.840) 8.232 3.461 ( -7.847 9.457 4.946) 13.246 3.652 ( -1.182 -6.722 -0.206) 6.828 3.830 ( -4.621 5.188 0.175) 6.950 3.917 ( -3.070 -0.650 -1.576) 3.511 4.081 ( -6.366 1.990 2.171) 7.015 4.241 ( -7.082 -10.646 2.485) 13.026 4.534 ( 1.647 3.277 -1.033) 3.811 4.608 ( 1.430 -3.807 -0.807) 4.146 6.276 ( -1.487 7.324 5.172) 9.088 6.427 ( -1.219 -7.355 3.072) 8.063 6.756 ( -2.305 2.893 -0.518) 3.735 6.787 ( -4.174 0.042 -2.120) 4.682 6.899 ( -1.647 1.789 5.311) 5.841 6.945 ( -0.065 -2.852 3.663) 4.643 7.220 ( 2.821 6.711 0.553) 7.301 7.350 ( 0.609 -4.761 -1.843) 5.142 7.490 ( 3.318 2.913 -0.796) 4.487 7.542 ( 4.160 -1.628 1.132) 4.608 7.709 ( 0.457 6.246 0.779) 6.311 7.801 ( -0.499 -1.864 1.729) 2.591 8.193 ( 2.440 0.301 0.902) 2.618 8.204 ( 2.052 3.343 -2.363) 4.579 8.299 ( 3.004 -2.865 3.761) 5.602 8.338 ( 1.235 -2.341 -1.462) 3.024 8.568 ( 4.139 3.794 -0.011) 5.615 8.678 ( 2.471 -7.179 0.691) 7.624 8.966 ( -3.646 0.616 -2.698) 4.578 8.974 ( -3.449 -0.085 -3.062) 4.612 9.078 ( -0.008 1.408 -2.451) 2.827 9.116 ( 0.145 -2.022 -1.349) 2.435 9.509 ( 1.739 2.587 -1.706) 3.553 9.566 ( 1.939 -2.945 -1.288) 3.754 ======================= Grid point 94 (52/136) ======================= q-point: (-0.12 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.088 17.733 3.884) 18.273 1.695 ( 0.055 18.747 1.843) 18.837 1.887 ( -1.680 -8.978 3.600) 9.818 2.082 ( 3.693 -15.615 0.194) 16.047 2.247 ( 1.265 2.707 -2.039) 3.618 2.316 ( 0.457 -2.774 -1.818) 3.348 2.408 ( 1.519 1.605 -1.445) 2.641 2.469 ( 1.932 -4.581 -4.132) 6.465 2.762 ( -1.133 5.346 0.543) 5.492 2.802 ( 1.465 -0.550 -1.586) 2.228 2.862 ( 0.013 3.736 -2.545) 4.520 2.920 ( -0.307 -1.375 -1.982) 2.431 3.068 ( 2.645 8.983 -0.759) 9.395 3.188 ( 0.933 -1.988 -1.694) 2.774 3.318 ( -4.681 14.211 3.713) 15.416 3.389 ( 9.844 4.541 3.849) 11.504 3.496 ( 6.649 -5.105 3.675) 9.152 3.635 ( -0.323 -8.269 -1.340) 8.383 3.740 ( -4.460 2.770 2.405) 5.775 3.843 ( -3.908 -5.104 -0.343) 6.437 3.961 ( -6.067 0.606 1.677) 6.323 4.080 ( -8.813 -11.797 2.008) 14.862 4.549 ( 0.179 2.994 -0.254) 3.010 4.623 ( 0.433 -4.328 -0.350) 4.364 6.264 ( -1.005 6.868 5.506) 8.859 6.408 ( -1.046 -7.380 3.134) 8.086 6.718 ( -1.970 0.785 -1.639) 2.680 6.732 ( -0.498 -0.514 0.608) 0.939 6.886 ( -0.895 3.931 6.084) 7.299 6.960 ( 0.364 -3.401 5.517) 6.491 7.272 ( 2.266 5.266 0.265) 5.739 7.340 ( -0.322 -0.795 -1.764) 1.961 7.552 ( 2.168 2.274 -0.665) 3.211 7.609 ( 2.017 -2.552 -0.951) 3.389 7.721 ( 0.388 4.362 1.592) 4.659 7.787 ( -1.449 -1.361 2.377) 3.098 8.206 ( 1.497 3.079 -4.584) 5.722 8.249 ( 1.172 -0.387 -0.883) 1.517 8.353 ( 1.899 -0.337 1.004) 2.174 8.415 ( 4.627 -2.926 -1.041) 5.572 8.616 ( -0.174 2.276 -0.904) 2.455 8.696 ( -1.402 -5.400 0.194) 5.582 8.919 ( -0.089 0.121 -1.072) 1.083 8.921 ( 0.145 -0.215 -1.228) 1.255 9.074 ( 0.368 1.279 -2.515) 2.845 9.110 ( -0.231 -2.023 -2.262) 3.043 9.531 ( 0.786 3.120 -1.857) 3.715 9.587 ( 0.513 -2.373 -1.332) 2.769 ======================= Grid point 119 (53/136) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 4.476 0.000 22.993) 23.424 1.017 ( -0.794 0.000 24.860) 24.872 1.685 ( -4.110 0.000 38.325) 38.545 2.113 ( 0.253 0.000 2.378) 2.392 2.140 ( -3.893 0.000 -7.650) 8.583 2.371 ( -1.079 0.000 -5.775) 5.875 2.378 ( 1.681 0.000 2.573) 3.073 2.490 ( 0.458 0.000 -2.213) 2.260 2.658 ( 4.603 0.000 0.379) 4.619 2.719 ( -2.825 0.000 -3.375) 4.401 2.909 ( 3.875 0.000 -1.063) 4.018 3.005 ( 0.398 0.000 2.671) 2.701 3.053 ( 1.262 0.000 0.493) 1.355 3.161 ( -0.378 0.000 2.670) 2.697 3.262 ( 2.645 0.000 -0.749) 2.749 3.494 ( 1.030 0.000 0.157) 1.042 3.534 ( -2.665 0.000 -3.035) 4.038 3.607 ( -1.827 0.000 -1.693) 2.491 3.670 ( 0.490 0.000 5.667) 5.688 3.866 ( -0.650 0.000 0.076) 0.654 4.078 ( -0.685 0.000 -3.776) 3.838 4.451 ( 0.890 0.000 -3.548) 3.658 4.646 ( -3.499 0.000 -4.128) 5.411 4.687 ( 3.340 0.000 -9.104) 9.697 6.238 ( -1.880 0.000 2.523) 3.147 6.472 ( -0.321 0.000 -3.114) 3.131 6.708 ( 12.326 0.000 6.337) 13.859 6.861 ( 0.398 0.000 8.452) 8.462 6.935 ( 3.078 0.000 12.636) 13.005 6.957 ( -0.540 0.000 -5.125) 5.153 7.219 ( -2.425 0.000 3.637) 4.372 7.409 ( 3.435 0.000 -0.671) 3.500 7.421 ( -1.555 0.000 7.539) 7.698 7.523 ( -5.616 0.000 -7.726) 9.552 7.596 ( 0.824 0.000 -2.069) 2.227 7.674 ( -1.836 0.000 -1.128) 2.155 7.774 ( -2.488 0.000 -3.145) 4.011 8.245 ( -4.713 0.000 1.436) 4.927 8.419 ( -4.019 0.000 -11.726) 12.396 8.616 ( -3.851 0.000 8.014) 8.892 8.780 ( 4.273 0.000 1.064) 4.403 8.837 ( 8.438 0.000 2.533) 8.810 8.876 ( -1.177 0.000 2.401) 2.674 8.961 ( -1.307 0.000 -5.979) 6.120 9.143 ( 4.639 0.000 -0.413) 4.658 9.152 ( -1.624 0.000 -3.390) 3.759 9.257 ( 2.186 0.000 1.547) 2.678 9.542 ( -4.217 0.000 -2.184) 4.749 ======================= Grid point 120 (54/136) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 4.745 0.000 19.786) 20.347 1.186 ( 10.576 0.000 20.615) 23.170 1.868 ( 11.437 0.000 24.383) 26.932 2.010 ( -6.589 0.000 -7.841) 10.242 2.159 ( 4.083 0.000 3.545) 5.408 2.335 ( -1.732 0.000 0.644) 1.847 2.403 ( 0.331 0.000 1.703) 1.734 2.489 ( 0.084 0.000 -2.232) 2.233 2.637 ( -4.113 0.000 -2.829) 4.992 2.744 ( 3.390 0.000 3.488) 4.864 2.965 ( 0.153 0.000 -2.067) 2.073 3.019 ( -5.100 0.000 0.432) 5.118 3.029 ( 3.801 0.000 1.572) 4.113 3.182 ( 1.142 0.000 3.003) 3.213 3.348 ( 5.595 0.000 0.170) 5.598 3.396 ( -6.969 0.000 -1.833) 7.206 3.500 ( -2.340 0.000 0.714) 2.447 3.616 ( 2.057 0.000 -4.419) 4.875 3.701 ( -0.078 0.000 6.369) 6.369 3.808 ( -5.001 0.000 0.388) 5.016 4.106 ( 5.138 0.000 -8.132) 9.619 4.388 ( -6.036 0.000 -4.854) 7.745 4.572 ( -2.458 0.000 -4.957) 5.533 4.724 ( 2.059 0.000 -5.246) 5.636 6.231 ( 0.482 0.000 2.598) 2.643 6.472 ( 0.664 0.000 -2.077) 2.181 6.825 ( -7.094 0.000 10.622) 12.773 6.844 ( 1.574 0.000 2.172) 2.682 6.943 ( 0.510 0.000 -5.732) 5.755 7.048 ( 3.016 0.000 16.163) 16.442 7.235 ( 4.175 0.000 3.680) 5.566 7.348 ( -8.470 0.000 -6.495) 10.673 7.434 ( -0.448 0.000 -3.160) 3.192 7.456 ( 3.148 0.000 6.728) 7.428 7.541 ( -5.236 0.000 -2.855) 5.964 7.630 ( -2.151 0.000 -1.255) 2.490 7.811 ( 5.420 0.000 0.804) 5.479 8.173 ( -2.363 0.000 5.499) 5.985 8.265 ( -7.072 0.000 -12.481) 14.346 8.596 ( -0.756 0.000 8.250) 8.284 8.827 ( -2.357 0.000 1.344) 2.714 8.898 ( 4.745 0.000 -2.795) 5.507 8.932 ( -0.054 0.000 -3.366) 3.366 8.981 ( 4.925 0.000 0.723) 4.978 9.096 ( -3.446 0.000 -3.805) 5.133 9.221 ( 3.436 0.000 -3.829) 5.145 9.328 ( 3.695 0.000 5.396) 6.540 9.468 ( -1.716 0.000 -5.137) 5.416 ======================= Grid point 121 (55/136) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 12.272 0.000 12.071) 17.214 1.479 ( 13.270 0.000 13.898) 19.216 1.863 ( -5.990 0.000 -6.098) 8.547 2.083 ( 5.507 0.000 3.503) 6.527 2.219 ( -2.604 0.000 -4.607) 5.292 2.403 ( -0.797 0.000 1.977) 2.132 2.432 ( 11.645 0.000 20.938) 23.959 2.484 ( 0.034 0.000 -2.190) 2.190 2.566 ( -1.219 0.000 -1.617) 2.025 2.787 ( -2.707 0.000 1.082) 2.916 2.884 ( -5.075 0.000 3.416) 6.118 2.932 ( -2.291 0.000 0.117) 2.294 3.149 ( 7.368 0.000 -1.384) 7.497 3.168 ( -4.609 0.000 5.215) 6.960 3.302 ( -1.708 0.000 -1.196) 2.085 3.436 ( -3.590 0.000 3.466) 4.990 3.465 ( 5.444 0.000 0.821) 5.505 3.623 ( -0.515 0.000 -6.838) 6.857 3.689 ( -6.336 0.000 0.788) 6.385 3.697 ( -1.255 0.000 3.613) 3.824 4.204 ( -10.634 0.000 -4.784) 11.660 4.210 ( 6.690 0.000 -11.363) 13.185 4.537 ( 0.323 0.000 -3.672) 3.686 4.735 ( -0.016 0.000 -2.716) 2.716 6.267 ( 2.347 0.000 3.015) 3.821 6.465 ( -2.176 0.000 2.474) 3.294 6.699 ( -6.010 0.000 11.187) 12.699 6.843 ( -1.861 0.000 1.705) 2.524 6.946 ( 1.348 0.000 -6.508) 6.646 7.136 ( 1.619 0.000 15.738) 15.821 7.191 ( -5.271 0.000 -3.019) 6.074 7.322 ( 2.953 0.000 1.643) 3.379 7.379 ( -4.230 0.000 -4.137) 5.916 7.460 ( -1.188 0.000 -1.392) 1.830 7.559 ( 2.204 0.000 4.929) 5.399 7.597 ( 2.217 0.000 -1.700) 2.794 7.866 ( -2.421 0.000 -3.702) 4.423 8.156 ( 1.106 0.000 -7.499) 7.580 8.176 ( 0.622 0.000 6.668) 6.697 8.599 ( -1.558 0.000 7.230) 7.396 8.762 ( -3.882 0.000 0.437) 3.907 8.912 ( 0.688 0.000 -7.308) 7.340 8.973 ( -6.075 0.000 0.187) 6.078 8.996 ( 3.638 0.000 0.309) 3.651 9.065 ( 1.998 0.000 0.109) 2.001 9.261 ( 1.691 0.000 -4.572) 4.875 9.405 ( 2.410 0.000 4.553) 5.151 9.452 ( 1.642 0.000 -9.002) 9.150 ======================= Grid point 122 (56/136) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 14.034 0.000 6.434) 15.438 1.712 ( 2.609 0.000 0.460) 2.650 1.779 ( 2.401 0.000 6.238) 6.684 2.093 ( -6.445 0.000 -2.390) 6.874 2.180 ( 3.075 0.000 3.507) 4.664 2.378 ( -2.233 0.000 1.714) 2.815 2.482 ( 0.096 0.000 -2.029) 2.031 2.510 ( -0.365 0.000 -2.953) 2.975 2.647 ( -5.389 0.000 -2.025) 5.757 2.797 ( 13.737 0.000 13.773) 19.453 2.874 ( -1.765 0.000 4.254) 4.605 2.890 ( -0.888 0.000 0.869) 1.242 3.079 ( -4.745 0.000 8.251) 9.518 3.257 ( -2.804 0.000 3.939) 4.836 3.276 ( 4.413 0.000 -3.760) 5.798 3.416 ( 0.416 0.000 1.299) 1.364 3.480 ( -6.922 0.000 5.046) 8.566 3.556 ( -3.791 0.000 -7.118) 8.065 3.645 ( 3.811 0.000 -1.988) 4.299 3.686 ( -0.128 0.000 0.790) 0.800 3.988 ( -8.306 0.000 -3.365) 8.962 4.280 ( 3.096 0.000 -12.037) 12.429 4.575 ( 3.930 0.000 -1.409) 4.175 4.714 ( -1.339 0.000 -2.005) 2.411 6.329 ( 2.709 0.000 3.669) 4.561 6.391 ( -6.054 0.000 9.605) 11.354 6.669 ( -0.045 0.000 5.560) 5.560 6.792 ( -3.320 0.000 1.006) 3.469 6.962 ( 1.912 0.000 -6.587) 6.859 7.139 ( 0.214 0.000 0.589) 0.627 7.180 ( -1.288 0.000 15.096) 15.151 7.290 ( -3.347 0.000 -1.986) 3.892 7.363 ( 1.415 0.000 0.039) 1.415 7.468 ( 2.212 0.000 -2.268) 3.168 7.516 ( -3.888 0.000 1.191) 4.066 7.722 ( 6.284 0.000 -2.131) 6.635 7.732 ( -6.933 0.000 -8.845) 11.238 8.219 ( 1.675 0.000 7.408) 7.595 8.229 ( 5.024 0.000 -3.091) 5.899 8.557 ( -4.388 0.000 6.544) 7.879 8.693 ( -2.752 0.000 0.402) 2.782 8.856 ( -5.041 0.000 1.129) 5.165 8.917 ( 1.479 0.000 -5.678) 5.867 9.044 ( 1.253 0.000 -1.748) 2.151 9.105 ( 1.846 0.000 1.734) 2.532 9.268 ( 0.334 0.000 -4.715) 4.727 9.437 ( -0.234 0.000 2.621) 2.632 9.480 ( 3.341 0.000 -8.782) 9.396 ======================= Grid point 123 (57/136) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -3.508 0.000 0.687) 3.574 1.696 ( -5.549 0.000 2.677) 6.161 1.878 ( 1.395 0.000 5.700) 5.868 2.019 ( 1.570 0.000 2.819) 3.227 2.282 ( 6.975 0.000 4.379) 8.235 2.347 ( -0.250 0.000 0.067) 0.259 2.463 ( -0.770 0.000 -3.603) 3.684 2.501 ( 0.029 0.000 -2.894) 2.894 2.635 ( 1.967 0.000 2.397) 3.101 2.802 ( -4.551 0.000 3.978) 6.044 2.826 ( -3.338 0.000 2.112) 3.950 3.030 ( -1.933 0.000 6.251) 6.543 3.068 ( 3.394 0.000 2.697) 4.335 3.249 ( -12.446 0.000 4.555) 13.253 3.259 ( 1.228 0.000 7.095) 7.201 3.296 ( 0.971 0.000 -3.492) 3.624 3.427 ( 0.405 0.000 0.336) 0.527 3.495 ( -1.953 0.000 -2.623) 3.270 3.699 ( 1.294 0.000 -0.422) 1.361 3.744 ( 5.433 0.000 -3.130) 6.270 3.928 ( 3.420 0.000 -2.073) 3.999 4.280 ( 0.121 0.000 -10.456) 10.457 4.662 ( 4.557 0.000 -0.369) 4.572 4.677 ( -1.537 0.000 -3.255) 3.599 6.300 ( -5.625 0.000 11.998) 13.251 6.381 ( 1.245 0.000 4.342) 4.517 6.694 ( 0.441 0.000 6.167) 6.183 6.725 ( -2.886 0.000 -2.316) 3.700 6.986 ( 1.889 0.000 -5.824) 6.123 7.161 ( -4.046 0.000 13.150) 13.759 7.190 ( 3.921 0.000 1.818) 4.322 7.249 ( -0.008 0.000 -1.732) 1.732 7.385 ( -0.657 0.000 4.024) 4.077 7.427 ( -3.684 0.000 -3.789) 5.285 7.528 ( 3.157 0.000 0.207) 3.164 7.605 ( -2.003 0.000 -9.545) 9.753 7.797 ( 2.284 0.000 -5.315) 5.785 8.276 ( 2.007 0.000 8.257) 8.498 8.292 ( 1.937 0.000 -3.133) 3.683 8.476 ( -4.873 0.000 6.960) 8.496 8.675 ( 1.038 0.000 -0.084) 1.041 8.791 ( -1.940 0.000 1.740) 2.606 8.941 ( 2.127 0.000 -3.781) 4.338 9.035 ( -1.417 0.000 -3.619) 3.887 9.149 ( 2.101 0.000 1.802) 2.768 9.253 ( -0.620 0.000 -4.526) 4.569 9.409 ( -2.923 0.000 0.739) 3.015 9.534 ( 3.914 0.000 -6.808) 7.853 ======================= Grid point 124 (58/136) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -17.104 0.000 2.154) 17.239 1.568 ( -7.917 0.000 5.663) 9.734 1.900 ( 2.394 0.000 -0.024) 2.394 2.057 ( -0.827 0.000 6.893) 6.942 2.361 ( 0.687 0.000 1.256) 1.432 2.456 ( 1.176 0.000 -3.696) 3.879 2.457 ( 6.751 0.000 3.578) 7.641 2.476 ( -3.871 0.000 3.934) 5.519 2.600 ( -4.755 0.000 1.040) 4.868 2.727 ( -7.166 0.000 3.055) 7.790 2.824 ( 3.632 0.000 7.233) 8.093 2.909 ( -9.972 0.000 3.413) 10.540 3.064 ( -5.325 0.000 -5.191) 7.436 3.065 ( 4.967 0.000 2.227) 5.443 3.289 ( -0.834 0.000 6.318) 6.373 3.422 ( -4.226 0.000 -3.268) 5.342 3.448 ( 1.852 0.000 0.802) 2.018 3.484 ( 11.546 0.000 1.592) 11.655 3.724 ( 1.032 0.000 -0.407) 1.109 3.816 ( 2.833 0.000 -5.163) 5.889 4.070 ( 9.537 0.000 -1.824) 9.710 4.242 ( -1.373 0.000 -8.327) 8.440 4.639 ( -0.952 0.000 -6.474) 6.544 4.735 ( 2.561 0.000 -0.114) 2.563 6.239 ( -3.534 0.000 13.778) 14.224 6.391 ( -1.411 0.000 4.469) 4.687 6.646 ( -3.699 0.000 -0.480) 3.730 6.734 ( 1.464 0.000 2.941) 3.285 7.003 ( 1.217 0.000 -4.434) 4.598 7.091 ( -6.325 0.000 11.786) 13.376 7.219 ( 0.277 0.000 -5.286) 5.293 7.297 ( -4.825 0.000 -1.971) 5.212 7.342 ( 7.798 0.000 2.981) 8.348 7.427 ( 0.983 0.000 2.677) 2.851 7.538 ( 1.075 0.000 -4.532) 4.658 7.663 ( 5.840 0.000 -0.489) 5.860 7.800 ( -0.196 0.000 -5.985) 5.988 8.314 ( 2.001 0.000 -3.084) 3.677 8.333 ( 0.946 0.000 9.158) 9.207 8.417 ( -2.203 0.000 6.860) 7.205 8.718 ( 2.917 0.000 -1.771) 3.412 8.780 ( 0.088 0.000 1.585) 1.587 8.973 ( -2.852 0.000 -1.762) 3.352 8.980 ( 1.675 0.000 -4.845) 5.127 9.192 ( 1.644 0.000 0.978) 1.913 9.218 ( -2.101 0.000 -3.542) 4.118 9.333 ( -4.290 0.000 -1.389) 4.509 9.593 ( 3.374 0.000 -5.194) 6.194 ======================= Grid point 125 (59/136) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -18.282 0.000 6.127) 19.281 1.357 ( -14.905 0.000 13.164) 19.886 2.008 ( -8.069 0.000 18.777) 20.437 2.011 ( 8.698 0.000 -4.741) 9.906 2.290 ( -14.182 0.000 13.634) 19.672 2.361 ( -1.054 0.000 1.956) 2.222 2.472 ( -1.900 0.000 -7.458) 7.697 2.480 ( 1.129 0.000 -1.834) 2.154 2.540 ( -0.252 0.000 -2.178) 2.192 2.733 ( 4.121 0.000 3.705) 5.541 2.809 ( -1.724 0.000 -0.496) 1.794 2.909 ( 3.467 0.000 4.802) 5.923 2.986 ( -1.876 0.000 -0.617) 1.975 3.202 ( 4.199 0.000 4.584) 6.217 3.278 ( 1.716 0.000 1.987) 2.625 3.326 ( -4.235 0.000 -2.814) 5.085 3.492 ( 1.983 0.000 1.297) 2.369 3.691 ( 8.608 0.000 -0.081) 8.608 3.730 ( -0.576 0.000 -0.039) 0.578 3.822 ( -1.126 0.000 -7.625) 7.707 4.188 ( -2.213 0.000 -5.838) 6.243 4.248 ( 8.339 0.000 -1.914) 8.556 4.618 ( 1.306 0.000 -10.146) 10.230 4.756 ( -0.386 0.000 -0.772) 0.863 6.250 ( 1.516 0.000 16.677) 16.745 6.351 ( -3.447 0.000 3.757) 5.099 6.572 ( -3.338 0.000 -2.515) 4.180 6.774 ( 1.673 0.000 4.137) 4.463 6.979 ( -6.922 0.000 9.960) 12.130 7.009 ( 0.089 0.000 -3.522) 3.523 7.227 ( 2.727 0.000 -5.209) 5.879 7.236 ( -1.013 0.000 -0.984) 1.412 7.451 ( 0.225 0.000 5.209) 5.214 7.506 ( 7.057 0.000 1.401) 7.195 7.562 ( 1.984 0.000 -6.074) 6.390 7.766 ( -1.840 0.000 -3.980) 4.385 7.774 ( 4.615 0.000 1.821) 4.961 8.330 ( -1.893 0.000 4.230) 4.634 8.373 ( 4.643 0.000 -4.091) 6.188 8.465 ( 4.118 0.000 10.587) 11.360 8.754 ( 0.696 0.000 -3.420) 3.490 8.785 ( -0.471 0.000 1.296) 1.379 8.900 ( -2.195 0.000 -2.343) 3.211 9.018 ( 2.109 0.000 -1.132) 2.394 9.137 ( -5.319 0.000 -2.155) 5.740 9.210 ( 0.038 0.000 -0.706) 0.707 9.260 ( -2.007 0.000 -3.320) 3.880 9.631 ( 1.448 0.000 -4.362) 4.596 ======================= Grid point 126 (60/136) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -6.667 0.000 17.685) 18.900 1.106 ( -12.980 0.000 20.897) 24.600 1.817 ( -16.104 0.000 37.266) 40.597 2.136 ( -3.759 0.000 3.235) 4.959 2.156 ( 5.243 0.000 -6.830) 8.610 2.346 ( -0.245 0.000 2.871) 2.882 2.413 ( -1.568 0.000 -8.312) 8.459 2.485 ( 0.420 0.000 -1.929) 1.975 2.575 ( 3.649 0.000 -2.332) 4.330 2.757 ( -0.476 0.000 -2.730) 2.771 2.843 ( 2.814 0.000 2.844) 4.001 2.981 ( 0.747 0.000 2.576) 2.682 2.992 ( 3.910 0.000 1.824) 4.314 3.186 ( -2.698 0.000 3.790) 4.653 3.257 ( -1.659 0.000 -2.076) 2.657 3.411 ( 6.785 0.000 0.919) 6.847 3.531 ( 1.726 0.000 0.807) 1.905 3.698 ( -2.611 0.000 0.848) 2.746 3.711 ( -6.168 0.000 -5.437) 8.222 3.830 ( 4.104 0.000 -0.388) 4.122 4.127 ( -2.676 0.000 -3.496) 4.402 4.384 ( 5.941 0.000 -2.572) 6.474 4.643 ( 3.538 0.000 -11.206) 11.751 4.719 ( -2.763 0.000 -2.317) 3.606 6.287 ( -3.528 0.000 2.914) 4.576 6.411 ( 10.660 0.000 16.420) 19.577 6.508 ( -2.091 0.000 -2.600) 3.337 6.820 ( 1.683 0.000 5.151) 5.419 6.903 ( -2.682 0.000 10.066) 10.417 6.987 ( -1.041 0.000 -4.443) 4.563 7.234 ( 0.072 0.000 1.462) 1.464 7.308 ( 5.863 0.000 -1.807) 6.135 7.451 ( -1.893 0.000 5.693) 6.000 7.574 ( 0.783 0.000 -5.602) 5.657 7.593 ( 1.359 0.000 -2.010) 2.426 7.715 ( -2.293 0.000 -1.271) 2.622 7.826 ( -0.104 0.000 -1.891) 1.894 8.304 ( -1.640 0.000 0.961) 1.901 8.448 ( 3.271 0.000 -7.472) 8.156 8.601 ( 5.969 0.000 9.260) 11.017 8.739 ( -0.058 0.000 -2.097) 2.098 8.753 ( -2.607 0.000 2.615) 3.693 8.884 ( -0.217 0.000 1.656) 1.670 9.024 ( -3.904 0.000 -4.118) 5.674 9.066 ( 2.627 0.000 0.260) 2.640 9.190 ( -1.466 0.000 -2.358) 2.777 9.235 ( 0.142 0.000 -2.067) 2.072 9.617 ( -2.055 0.000 -3.424) 3.994 ======================= Grid point 127 (61/136) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.458 14.303 18.578) 23.866 1.143 ( -1.086 11.220 20.497) 23.392 1.914 ( -2.678 19.320 28.152) 34.249 2.087 ( -0.607 0.619 -2.520) 2.665 2.186 ( -2.881 1.434 0.562) 3.267 2.364 ( -0.026 -0.666 -2.897) 2.973 2.392 ( 0.256 1.825 -0.054) 1.844 2.486 ( 0.754 -0.461 -3.268) 3.386 2.593 ( 3.753 -5.179 -0.134) 6.397 2.730 ( -1.462 0.416 -3.445) 3.766 2.879 ( 1.254 -4.004 -1.437) 4.435 2.958 ( 1.191 -2.555 1.192) 3.061 2.993 ( 1.170 -3.649 1.964) 4.306 3.170 ( 0.703 -0.203 3.207) 3.289 3.282 ( 0.927 1.133 -1.620) 2.184 3.498 ( 0.859 0.410 0.866) 1.287 3.544 ( -1.890 0.661 -3.082) 3.675 3.615 ( -1.929 0.387 -1.517) 2.484 3.697 ( 0.932 2.465 5.587) 6.177 3.860 ( -0.720 -0.161 0.114) 0.747 4.051 ( -0.952 -2.662 -2.870) 4.028 4.433 ( -1.306 -2.661 -4.251) 5.183 4.564 ( 1.682 -5.424 -3.303) 6.569 4.704 ( 0.308 0.265 -6.196) 6.209 6.245 ( -2.105 1.654 6.240) 6.790 6.527 ( -0.037 4.446 -3.233) 5.497 6.767 ( 6.223 2.811 4.334) 8.088 6.792 ( -0.384 -5.652 5.644) 7.997 6.947 ( 1.723 2.830 10.261) 10.783 7.055 ( 8.281 5.160 -0.620) 9.777 7.245 ( -1.681 3.083 3.237) 4.776 7.320 ( 1.632 -3.238 1.877) 4.083 7.504 ( -3.262 3.219 2.667) 5.302 7.535 ( -5.130 0.743 -7.282) 8.939 7.607 ( 0.662 1.563 0.004) 1.698 7.675 ( -1.573 0.487 -0.503) 1.721 7.823 ( -1.905 4.751 -4.482) 6.803 8.265 ( -4.482 1.735 -1.231) 4.961 8.395 ( -3.424 -2.675 -9.225) 10.197 8.526 ( -0.423 -6.489 5.171) 8.308 8.706 ( 0.740 -5.185 4.233) 6.734 8.848 ( -0.975 -2.698 0.836) 2.988 8.890 ( 3.485 2.081 -4.031) 5.720 8.980 ( 2.593 1.612 -1.101) 3.246 9.106 ( 1.335 -2.504 -3.607) 4.589 9.153 ( 3.491 -0.606 1.881) 4.011 9.301 ( 0.030 3.730 -1.351) 3.968 9.549 ( -3.562 0.556 -2.463) 4.366 ======================= Grid point 128 (62/136) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 3.252 12.529 16.541) 21.004 1.274 ( 8.328 8.475 17.523) 21.172 2.007 ( -0.308 5.683 0.218) 5.695 2.061 ( 2.581 9.504 5.309) 11.188 2.195 ( 4.190 3.905 9.786) 11.339 2.332 ( -2.093 -0.078 -2.293) 3.106 2.405 ( 0.855 0.239 2.864) 2.999 2.489 ( 0.253 0.038 -1.388) 1.411 2.642 ( -0.605 -0.976 -1.980) 2.288 2.704 ( 1.243 -2.169 1.554) 2.943 2.866 ( -1.886 -7.142 -1.710) 7.582 2.991 ( -1.297 -3.193 1.341) 3.698 3.026 ( 4.145 0.123 1.211) 4.320 3.178 ( -1.216 -1.387 2.531) 3.132 3.298 ( -0.084 -3.197 -2.066) 3.808 3.432 ( -2.929 2.533 0.160) 3.876 3.504 ( -3.293 0.137 1.357) 3.565 3.619 ( 2.064 -0.608 -3.452) 4.068 3.715 ( -1.816 1.224 5.220) 5.661 3.827 ( -2.033 2.568 1.110) 3.458 4.085 ( 5.435 -1.940 -6.921) 9.012 4.361 ( -4.575 -2.835 -4.856) 7.249 4.561 ( -1.226 -1.322 -2.870) 3.390 4.708 ( 1.303 -1.319 -4.762) 5.110 6.232 ( -0.495 1.227 5.165) 5.331 6.532 ( 0.926 4.943 -1.969) 5.401 6.753 ( -4.307 -5.109 6.159) 9.088 6.850 ( 1.830 0.486 0.866) 2.082 7.031 ( 3.217 3.517 12.658) 13.526 7.172 ( -4.376 10.721 2.597) 11.868 7.235 ( 5.328 1.142 1.375) 5.620 7.342 ( -1.507 -1.957 -2.358) 3.414 7.405 ( -2.792 0.940 -4.904) 5.721 7.458 ( -1.368 -0.085 4.678) 4.875 7.552 ( -4.359 0.656 -0.672) 4.459 7.664 ( -0.676 2.478 -1.439) 2.944 7.837 ( 3.948 2.772 -0.772) 4.885 8.166 ( -4.604 -0.258 -1.061) 4.732 8.279 ( -4.594 0.685 -7.867) 9.136 8.537 ( 0.031 -5.467 6.448) 8.454 8.750 ( 1.053 -7.352 3.844) 8.363 8.833 ( -0.323 -3.452 0.141) 3.469 8.905 ( 1.239 -0.101 -8.043) 8.139 9.060 ( 3.466 2.786 2.135) 4.933 9.083 ( -2.267 -1.320 -4.057) 4.831 9.238 ( 4.094 1.143 -3.184) 5.311 9.326 ( 2.166 0.317 3.411) 4.053 9.477 ( -2.355 0.745 -4.764) 5.367 ======================= Grid point 129 (63/136) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.711 8.140 10.378) 16.379 1.515 ( 11.173 4.215 12.994) 17.647 1.906 ( -5.129 4.211 -6.095) 9.011 2.144 ( 2.688 4.331 1.005) 5.195 2.239 ( -3.826 1.881 -3.407) 5.458 2.339 ( 0.784 -2.742 6.209) 6.833 2.457 ( 1.496 -1.223 -0.366) 1.967 2.523 ( 3.577 3.200 6.342) 7.953 2.605 ( -0.723 1.834 0.994) 2.208 2.766 ( 3.496 -0.147 3.430) 4.899 2.807 ( -2.372 -5.846 2.275) 6.706 2.945 ( -2.817 0.029 1.433) 3.160 3.098 ( -6.759 -5.418 2.308) 8.965 3.127 ( 4.887 -1.524 -0.474) 5.141 3.271 ( -0.610 -2.602 -2.199) 3.461 3.424 ( -4.427 -0.865 4.241) 6.192 3.468 ( 4.059 0.296 1.661) 4.396 3.646 ( 1.109 0.816 -6.013) 6.169 3.664 ( -2.543 0.021 1.953) 3.206 3.790 ( -2.615 6.628 3.265) 7.838 4.173 ( 0.692 -1.217 -8.274) 8.391 4.246 ( -2.048 1.427 -5.404) 5.952 4.531 ( -0.324 -0.657 -2.784) 2.879 4.715 ( 0.117 -1.850 -2.403) 3.035 6.253 ( 1.143 0.049 5.415) 5.534 6.527 ( -2.241 4.403 1.856) 5.277 6.689 ( -2.415 -1.037 5.908) 6.467 6.866 ( 0.086 1.468 -0.185) 1.482 7.043 ( -4.338 7.893 1.678) 9.161 7.143 ( -0.391 1.125 10.850) 10.915 7.212 ( -2.131 2.257 -0.642) 3.170 7.328 ( -1.261 -1.009 -2.368) 2.866 7.407 ( 2.640 4.084 -1.854) 5.205 7.439 ( -3.074 -1.042 3.503) 4.775 7.543 ( 2.561 -1.069 3.383) 4.376 7.639 ( 0.069 3.015 -3.204) 4.400 7.885 ( -1.834 1.803 -3.699) 4.505 8.100 ( 1.478 -2.536 -3.146) 4.302 8.232 ( 0.418 2.364 0.725) 2.507 8.539 ( -1.823 -5.202 6.057) 8.190 8.731 ( -3.360 -4.024 2.561) 5.835 8.833 ( -0.071 -5.059 -1.422) 5.255 8.932 ( 3.033 -2.403 -5.818) 6.987 9.010 ( -3.377 1.084 -3.177) 4.762 9.111 ( 1.096 1.827 2.957) 3.645 9.288 ( 2.020 2.250 -5.634) 6.394 9.377 ( 1.407 -2.478 3.122) 4.227 9.447 ( 0.996 -0.466 -6.822) 6.910 ======================= Grid point 130 (64/136) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 12.103 3.977 4.910) 13.653 1.742 ( 7.455 1.829 7.071) 10.437 1.811 ( -2.019 4.239 -0.490) 4.721 2.108 ( -6.256 1.351 -2.632) 6.920 2.203 ( 1.215 2.061 3.160) 3.963 2.329 ( -2.065 -4.039 3.508) 5.735 2.465 ( 0.729 -1.484 -1.591) 2.295 2.532 ( -0.577 1.864 -3.502) 4.009 2.551 ( -5.040 -5.144 -0.228) 7.205 2.826 ( 0.252 -5.310 4.977) 7.282 2.878 ( 0.687 -2.565 4.463) 5.193 2.915 ( -2.443 2.986 2.621) 4.664 3.003 ( 3.168 -0.147 5.681) 6.506 3.188 ( 1.033 -6.173 -1.102) 6.355 3.244 ( -1.760 -1.970 0.102) 2.644 3.388 ( 0.040 -0.537 2.419) 2.478 3.549 ( 2.844 2.788 3.178) 5.095 3.604 ( -2.111 2.586 -4.408) 5.529 3.688 ( 2.836 4.070 -1.411) 5.158 3.742 ( -2.236 6.167 2.211) 6.922 4.025 ( -8.132 3.936 -2.722) 9.436 4.287 ( 2.843 0.243 -9.701) 10.112 4.553 ( 3.019 -2.006 -0.851) 3.723 4.701 ( -0.873 -1.316 -2.034) 2.575 6.293 ( 0.827 -0.912 7.185) 7.290 6.463 ( -4.018 4.122 5.732) 8.124 6.693 ( 0.849 2.113 3.048) 3.805 6.851 ( -1.847 4.541 0.067) 4.903 6.973 ( -2.040 1.832 -1.615) 3.182 7.130 ( -0.746 -0.127 3.607) 3.685 7.227 ( 0.250 2.942 8.053) 8.577 7.284 ( -2.109 0.462 0.073) 2.160 7.398 ( -1.434 -0.562 4.060) 4.342 7.463 ( 2.623 3.914 -3.038) 5.606 7.526 ( -2.837 0.014 -0.456) 2.873 7.668 ( -0.709 -2.311 -4.419) 5.037 7.811 ( 0.386 4.944 -6.416) 8.109 8.186 ( 4.745 -1.154 1.950) 5.258 8.274 ( 3.083 1.693 1.331) 3.761 8.494 ( -3.897 -5.473 5.757) 8.848 8.646 ( -5.212 -3.972 2.608) 7.053 8.819 ( -0.613 -2.223 -2.581) 3.461 8.962 ( -0.196 0.673 -1.282) 1.461 8.978 ( 2.112 -2.530 -4.681) 5.725 9.124 ( -0.302 0.706 2.260) 2.387 9.293 ( -0.055 1.542 -4.524) 4.780 9.397 ( 0.502 -3.276 -0.871) 3.427 9.472 ( 2.636 -1.073 -5.524) 6.214 ======================= Grid point 131 (65/136) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -4.106 3.253 1.753) 5.524 1.764 ( -3.813 5.291 1.049) 6.606 1.874 ( -0.074 0.166 4.660) 4.663 2.058 ( 3.232 3.005 2.052) 4.867 2.248 ( 3.812 -4.835 5.339) 8.150 2.317 ( 1.031 -2.212 1.419) 2.823 2.446 ( -2.203 -1.754 -3.186) 4.252 2.506 ( -1.113 -1.957 -0.724) 2.365 2.526 ( 2.241 -3.346 -0.961) 4.140 2.775 ( -3.750 -2.346 2.551) 5.107 2.852 ( -2.426 -0.716 2.352) 3.454 2.884 ( 0.157 -7.012 1.890) 7.264 3.061 ( -3.437 -2.078 3.388) 5.254 3.174 ( -3.607 -2.175 2.879) 5.102 3.289 ( 5.615 -2.363 -1.646) 6.310 3.415 ( 2.446 1.229 0.236) 2.748 3.524 ( -4.655 13.846 4.102) 15.173 3.572 ( -1.231 5.584 -0.194) 5.722 3.712 ( 1.004 0.859 -0.586) 1.445 3.753 ( 1.060 2.843 -1.644) 3.450 3.963 ( 4.296 3.718 -1.343) 5.838 4.285 ( -0.345 0.130 -8.397) 8.405 4.626 ( 3.591 -2.920 -0.087) 4.629 4.675 ( -0.790 -0.876 -3.086) 3.304 6.297 ( -2.844 0.414 10.780) 11.157 6.435 ( -0.047 4.350 4.750) 6.441 6.717 ( 0.652 1.721 2.619) 3.201 6.793 ( -3.698 6.099 -0.977) 7.199 6.951 ( -0.119 -2.023 -1.787) 2.702 7.140 ( -0.698 -1.647 6.750) 6.983 7.250 ( -1.044 3.439 3.640) 5.115 7.255 ( 1.692 1.402 0.149) 2.203 7.377 ( -3.642 -1.978 5.370) 6.783 7.447 ( 0.178 2.354 -3.930) 4.585 7.538 ( 1.125 1.250 -0.678) 1.813 7.606 ( 0.290 0.814 -6.066) 6.127 7.847 ( 2.350 4.657 -6.038) 7.979 8.272 ( 3.463 0.402 3.936) 5.258 8.324 ( 0.910 2.074 -0.243) 2.278 8.430 ( -3.901 -4.639 6.342) 8.773 8.584 ( -0.676 -6.647 3.126) 7.376 8.805 ( -0.063 0.037 -2.406) 2.407 8.970 ( 1.194 2.125 -2.294) 3.347 8.999 ( 0.637 -3.444 -3.660) 5.066 9.115 ( -0.849 -1.681 1.229) 2.249 9.266 ( -1.645 -0.325 -3.360) 3.755 9.390 ( -0.874 -1.293 -1.096) 1.907 9.520 ( 3.626 -1.433 -5.667) 6.878 ======================= Grid point 132 (66/136) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -15.439 4.006 2.651) 16.169 1.646 ( -8.347 6.782 5.176) 11.936 1.888 ( 2.447 -0.515 0.347) 2.524 2.080 ( -1.609 1.262 7.047) 7.338 2.313 ( -0.315 -4.225 4.835) 6.428 2.395 ( 1.181 -4.134 -2.738) 5.097 2.424 ( 1.541 -3.497 2.239) 4.429 2.485 ( 1.090 0.152 -5.367) 5.479 2.586 ( 4.461 -0.201 1.562) 4.731 2.761 ( -3.080 1.704 4.459) 5.681 2.795 ( -2.250 -2.210 3.060) 4.394 2.922 ( 4.371 -7.188 -1.520) 8.549 2.965 ( -4.893 3.235 4.690) 7.510 3.094 ( -3.111 -0.729 -0.784) 3.290 3.282 ( -4.571 -0.743 2.215) 5.133 3.401 ( -3.130 0.708 0.442) 3.239 3.553 ( -0.290 6.278 1.483) 6.457 3.589 ( 7.545 8.145 0.949) 11.143 3.723 ( 0.360 1.164 0.526) 1.327 3.783 ( 2.500 -2.816 -3.943) 5.452 4.115 ( 9.355 4.241 -2.434) 10.556 4.242 ( -1.847 -0.234 -6.359) 6.626 4.626 ( -1.543 -1.245 -5.711) 6.045 4.703 ( 2.339 -3.110 0.363) 3.908 6.264 ( -2.871 2.343 12.919) 13.440 6.456 ( 0.470 5.677 4.417) 7.208 6.707 ( -4.233 5.178 -0.846) 6.741 6.731 ( 0.199 -0.613 0.737) 0.979 6.950 ( 0.154 -2.456 -0.300) 2.479 7.095 ( -5.582 -1.320 8.623) 10.356 7.235 ( -1.199 0.951 -1.600) 2.214 7.279 ( -0.598 0.230 -3.707) 3.762 7.376 ( 5.341 1.543 3.200) 6.415 7.472 ( 1.840 3.489 1.250) 4.138 7.524 ( 0.231 -0.616 -1.404) 1.550 7.685 ( 5.465 2.586 -0.559) 6.071 7.855 ( 0.315 4.858 -6.210) 7.891 8.323 ( 1.137 0.754 -2.853) 3.163 8.352 ( 1.438 1.769 6.910) 7.277 8.380 ( -1.367 -3.356 6.742) 7.654 8.621 ( 2.464 -7.332 1.995) 7.988 8.810 ( 1.181 0.790 -2.602) 2.965 8.968 ( -2.341 -0.791 -5.436) 5.971 8.991 ( 1.025 1.100 -0.650) 1.638 9.106 ( -0.419 -5.598 -0.125) 5.615 9.208 ( -3.468 -1.846 -2.375) 4.590 9.366 ( -0.908 2.025 -1.940) 2.947 9.579 ( 3.370 -1.455 -4.702) 5.965 ======================= Grid point 133 (67/136) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -15.441 7.818 6.896) 18.630 1.439 ( -13.818 7.387 12.807) 20.237 1.968 ( 2.702 -0.930 3.044) 4.175 2.091 ( 2.477 4.396 6.008) 7.846 2.286 ( -3.527 -0.156 4.373) 5.620 2.382 ( -1.566 -2.639 -0.505) 3.110 2.417 ( -1.168 -1.177 -1.354) 2.140 2.494 ( 0.449 -0.848 -5.584) 5.666 2.592 ( -8.234 6.535 6.502) 12.361 2.725 ( 5.386 -1.270 2.344) 6.009 2.777 ( -1.110 -1.474 -1.978) 2.705 2.926 ( 0.111 -0.705 2.654) 2.748 2.992 ( -0.556 1.558 1.683) 2.360 3.153 ( 6.114 -3.399 3.253) 7.715 3.209 ( 0.712 -3.305 0.619) 3.437 3.337 ( -3.242 -0.270 -0.527) 3.296 3.558 ( 0.191 4.668 1.137) 4.808 3.695 ( 1.805 -0.822 -2.608) 3.277 3.748 ( 1.910 1.757 2.854) 3.857 3.808 ( 1.053 -0.055 -4.978) 5.089 4.172 ( -2.555 -1.844 -5.167) 6.052 4.294 ( 7.746 4.136 -2.112) 9.031 4.578 ( -1.190 -3.526 -7.663) 8.519 4.728 ( 0.284 -2.532 -0.643) 2.628 6.260 ( -0.999 1.999 13.954) 14.132 6.480 ( 1.534 9.729 4.530) 10.841 6.622 ( -3.552 4.116 -3.500) 6.466 6.743 ( 0.466 -3.352 2.969) 4.501 6.943 ( -2.080 -0.451 5.004) 5.438 7.003 ( -3.491 -1.885 1.995) 4.441 7.216 ( 0.062 0.223 0.507) 0.558 7.268 ( 0.570 1.854 -3.365) 3.884 7.507 ( 5.461 -0.825 1.224) 5.657 7.513 ( 1.474 5.030 4.096) 6.652 7.552 ( 2.922 -0.081 -3.715) 4.728 7.754 ( 0.369 1.676 -0.242) 1.733 7.856 ( 1.790 5.173 -3.258) 6.371 8.331 ( -1.571 -0.379 3.124) 3.517 8.367 ( 3.822 -0.653 -3.188) 5.020 8.457 ( 3.890 -0.253 7.509) 8.461 8.662 ( 1.088 -6.535 1.685) 6.836 8.826 ( 0.357 1.606 -3.127) 3.534 8.901 ( -2.045 0.168 -2.267) 3.057 9.012 ( 1.344 -0.622 -0.740) 1.656 9.062 ( -4.147 -7.250 -2.135) 8.621 9.148 ( -1.154 -1.294 -2.476) 3.023 9.346 ( -0.762 4.038 -2.358) 4.737 9.619 ( 1.538 -1.246 -3.901) 4.375 ======================= Grid point 134 (68/136) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -3.689 13.269 15.604) 20.813 1.219 ( -10.965 10.155 18.272) 23.605 1.963 ( -5.525 8.786 20.869) 23.307 2.131 ( -3.394 5.000 3.252) 6.863 2.229 ( -0.792 3.481 -0.661) 3.631 2.350 ( -0.340 1.020 4.530) 4.656 2.396 ( 0.345 -1.401 -7.235) 7.377 2.482 ( 0.067 -0.515 -3.050) 3.094 2.538 ( 1.314 -2.824 -1.118) 3.310 2.755 ( -0.490 -0.411 -3.056) 3.122 2.824 ( 3.914 -1.197 0.623) 4.140 2.950 ( 1.267 -1.390 2.078) 2.803 2.972 ( -1.156 -3.945 1.346) 4.325 3.155 ( -0.464 0.047 3.903) 3.931 3.285 ( -1.281 0.583 -1.171) 1.831 3.390 ( 8.955 -1.450 1.685) 9.227 3.564 ( 0.237 2.055 -0.316) 2.093 3.676 ( -2.623 -0.688 -1.723) 3.213 3.721 ( -3.472 0.135 -1.444) 3.763 3.844 ( 2.149 1.280 0.388) 2.531 4.106 ( -3.040 -2.261 -2.788) 4.704 4.413 ( 4.338 2.572 -2.076) 5.453 4.550 ( 0.435 -7.765 -7.392) 10.730 4.719 ( -0.406 -0.755 -3.396) 3.503 6.269 ( -1.814 1.013 9.876) 10.092 6.556 ( -1.947 4.181 -3.794) 5.972 6.585 ( 8.006 10.719 7.052) 15.124 6.765 ( 0.825 -5.081 5.135) 7.271 6.916 ( -1.204 2.026 9.158) 9.457 6.980 ( 0.787 -0.805 -2.931) 3.140 7.236 ( 1.086 0.613 2.706) 2.979 7.285 ( 1.554 -0.470 -0.244) 1.642 7.540 ( -0.288 4.775 1.713) 5.081 7.569 ( 2.090 0.639 -0.291) 2.205 7.596 ( 0.753 0.265 -3.752) 3.835 7.720 ( -2.518 1.175 -0.539) 2.830 7.873 ( -0.512 4.274 -3.784) 5.732 8.315 ( -0.916 0.711 0.412) 1.231 8.430 ( 2.690 -1.773 -7.679) 8.328 8.519 ( -0.023 -5.474 5.632) 7.853 8.693 ( 1.334 -4.096 3.652) 5.648 8.812 ( 0.963 3.305 -1.273) 3.670 8.882 ( -1.308 -0.374 1.311) 1.889 8.983 ( -1.708 -3.779 -4.133) 5.855 9.049 ( 2.789 -1.446 -0.035) 3.142 9.133 ( -0.017 -2.095 -2.213) 3.047 9.320 ( -1.083 4.732 -2.623) 5.518 9.611 ( -1.537 -0.623 -3.059) 3.480 ======================= Grid point 135 (69/136) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 2.825 16.484 12.542) 20.905 1.440 ( 0.689 17.984 12.654) 22.001 2.099 ( 2.042 3.221 -0.353) 3.829 2.167 ( -1.735 -3.159 1.573) 3.933 2.284 ( -0.173 4.106 2.511) 4.816 2.344 ( -0.382 -1.462 -1.265) 1.971 2.455 ( 1.091 -3.776 0.531) 3.967 2.481 ( 4.249 -2.359 -5.830) 7.590 2.518 ( -4.112 12.053 8.535) 15.330 2.740 ( -0.085 0.720 -4.896) 4.950 2.764 ( -1.818 -4.531 -1.709) 5.172 2.917 ( 1.106 -1.544 -0.260) 1.917 2.991 ( 2.731 3.909 2.488) 5.378 3.152 ( -0.779 -0.934 2.056) 2.389 3.277 ( -0.585 -1.232 -1.701) 2.180 3.518 ( 1.395 1.554 1.024) 2.326 3.558 ( -0.883 0.557 -2.369) 2.589 3.625 ( -3.047 0.948 0.486) 3.228 3.756 ( 1.876 3.037 5.714) 6.738 3.860 ( -0.509 -0.078 -0.387) 0.644 3.974 ( -0.777 -4.706 -0.399) 4.787 4.278 ( -1.993 -11.814 -2.485) 12.236 4.520 ( 1.696 0.686 -0.008) 1.829 4.682 ( 0.116 -2.329 -3.417) 4.137 6.308 ( -1.954 4.050 8.015) 9.190 6.608 ( 1.264 2.717 -1.153) 3.211 6.656 ( -1.008 -6.386 4.749) 8.022 6.814 ( 2.170 0.651 3.542) 4.205 7.000 ( 3.005 2.908 11.093) 11.856 7.122 ( 5.245 2.286 1.889) 6.025 7.291 ( 0.955 0.921 0.175) 1.338 7.321 ( 1.555 1.805 4.863) 5.415 7.533 ( -4.265 -0.066 -1.267) 4.450 7.554 ( 0.139 0.885 -4.239) 4.333 7.667 ( -2.897 4.668 2.147) 5.898 7.725 ( -1.567 4.008 -0.240) 4.310 7.946 ( -1.168 6.806 -7.295) 10.045 8.297 ( -5.393 -2.197 -6.656) 8.844 8.309 ( -0.825 -1.888 -0.018) 2.060 8.417 ( -0.584 -4.168 -3.096) 5.225 8.596 ( -0.871 -4.909 3.860) 6.306 8.761 ( -1.047 -5.669 -1.115) 5.872 8.917 ( 1.303 0.976 -5.903) 6.124 9.012 ( 3.959 1.085 3.015) 5.093 9.052 ( 1.303 -2.273 -4.844) 5.507 9.132 ( 4.143 -1.397 3.601) 5.664 9.386 ( -0.905 4.278 -3.302) 5.480 9.553 ( -2.392 -0.441 -3.020) 3.878 ======================= Grid point 136 (70/136) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.465 16.583 11.561) 20.365 1.510 ( 3.901 14.906 10.908) 18.878 2.086 ( -1.873 3.819 -7.215) 8.376 2.171 ( 1.274 0.758 5.107) 5.318 2.294 ( -0.190 -0.835 2.217) 2.376 2.342 ( -0.061 0.120 -2.273) 2.277 2.447 ( -1.609 1.103 -3.636) 4.126 2.489 ( 0.539 -1.185 6.282) 6.415 2.567 ( 3.585 -0.498 2.975) 4.685 2.701 ( -2.799 -1.537 -3.441) 4.694 2.756 ( 2.141 -0.169 -3.335) 3.967 2.921 ( -0.908 -3.356 1.038) 3.629 3.066 ( 3.714 3.894 1.550) 5.600 3.131 ( -2.670 -1.513 2.209) 3.781 3.241 ( -1.607 -1.693 -1.356) 2.699 3.482 ( -3.717 1.951 1.161) 4.355 3.504 ( -4.148 0.176 2.351) 4.771 3.602 ( 1.338 -0.317 -1.443) 1.994 3.734 ( -3.733 0.405 2.529) 4.527 3.899 ( 2.844 3.769 2.725) 5.451 4.040 ( 6.478 -2.122 -3.378) 7.608 4.251 ( -0.483 -8.471 -2.471) 8.837 4.539 ( 0.020 -0.116 -0.173) 0.209 4.672 ( -0.117 -2.268 -3.099) 3.843 6.291 ( -1.408 4.218 6.619) 7.974 6.616 ( -2.367 -1.766 1.728) 3.422 6.658 ( 2.107 0.622 2.496) 3.325 6.867 ( 1.953 0.697 2.977) 3.628 7.090 ( 2.343 2.252 13.446) 13.833 7.199 ( 1.530 -1.241 2.459) 3.151 7.312 ( 0.242 0.372 -1.661) 1.720 7.329 ( -2.265 0.851 -1.077) 2.649 7.447 ( -2.653 0.331 4.331) 5.090 7.539 ( -1.051 4.059 -0.882) 4.284 7.602 ( -2.392 9.041 -0.546) 9.367 7.709 ( -0.466 2.079 0.128) 2.135 7.921 ( 0.746 5.085 -5.830) 7.772 8.159 ( -6.353 -1.218 -7.528) 9.925 8.275 ( -1.815 -0.918 -2.185) 2.985 8.408 ( 0.615 -6.131 0.873) 6.223 8.609 ( 0.412 -5.739 5.322) 7.838 8.741 ( -0.829 -5.668 -0.760) 5.778 8.912 ( 0.495 0.779 -7.205) 7.264 9.039 ( -0.244 -2.687 -4.140) 4.941 9.099 ( 2.507 1.560 2.631) 3.955 9.233 ( 4.500 -1.688 2.203) 5.287 9.362 ( -0.577 2.969 -2.854) 4.158 9.488 ( -2.857 0.071 -4.488) 5.321 ======================= Grid point 137 (71/136) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 3.580 12.942 7.270) 15.270 1.663 ( 7.073 10.067 9.053) 15.275 2.018 ( -3.266 6.038 -5.445) 8.762 2.212 ( 1.370 2.216 0.770) 2.717 2.260 ( -3.415 -1.123 1.101) 3.760 2.309 ( -2.982 -0.334 -0.000) 3.001 2.417 ( -0.507 -2.762 -2.002) 3.449 2.522 ( 0.492 -5.603 4.693) 7.325 2.612 ( -0.054 -3.437 1.057) 3.596 2.628 ( -2.847 -0.938 -2.951) 4.206 2.839 ( 5.610 1.084 -2.601) 6.278 2.891 ( -1.697 -5.882 1.839) 6.392 3.028 ( -5.668 -0.950 1.341) 5.902 3.113 ( -0.684 -1.123 -1.576) 2.053 3.245 ( 1.313 2.762 1.548) 3.428 3.409 ( -3.924 -0.561 3.938) 5.588 3.487 ( 2.638 1.792 4.153) 5.236 3.644 ( 1.874 -1.076 -4.788) 5.253 3.689 ( 0.712 3.337 2.517) 4.239 3.935 ( -0.298 6.879 3.730) 7.831 4.151 ( 4.224 -1.134 -5.241) 6.826 4.240 ( 0.257 -3.072 -1.809) 3.574 4.520 ( -1.311 0.222 -1.062) 1.702 4.666 ( -0.026 -2.817 -1.719) 3.300 6.291 ( -0.254 3.433 6.453) 7.314 6.559 ( -3.567 -2.305 3.587) 5.558 6.719 ( 2.973 4.743 1.645) 5.834 6.900 ( 1.084 1.857 1.072) 2.403 7.114 ( -3.170 -0.146 6.943) 7.634 7.201 ( -2.549 2.352 3.907) 5.224 7.265 ( -2.631 0.451 -1.808) 3.224 7.290 ( 0.121 -0.140 0.436) 0.474 7.421 ( -3.101 -0.542 7.435) 8.074 7.540 ( 0.754 2.425 1.775) 3.098 7.596 ( 1.511 11.647 -2.161) 11.942 7.686 ( -1.650 1.856 -1.470) 2.886 7.938 ( -0.075 3.026 -4.455) 5.386 8.052 ( 0.389 -2.887 -5.426) 6.158 8.253 ( 0.005 -0.126 0.049) 0.135 8.426 ( -0.153 -5.064 3.464) 6.138 8.615 ( -1.620 -5.801 4.717) 7.650 8.729 ( -0.020 -5.881 -0.918) 5.953 8.911 ( 1.106 0.232 -6.729) 6.823 9.013 ( -0.911 -0.870 -4.404) 4.581 9.134 ( 0.414 1.072 3.142) 3.346 9.305 ( 2.196 -2.947 -0.355) 3.693 9.342 ( -0.904 1.447 -3.202) 3.628 9.435 ( -0.653 -0.672 -5.428) 5.508 ======================= Grid point 138 (72/136) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 8.869 5.955 3.399) 11.210 1.802 ( 4.406 5.072 5.958) 8.980 1.939 ( -3.363 7.281 -2.366) 8.362 2.142 ( -5.892 1.790 -3.582) 7.124 2.231 ( -5.239 -3.321 5.028) 7.985 2.257 ( 0.839 0.439 2.436) 2.614 2.409 ( -0.514 -3.995 0.819) 4.110 2.490 ( -2.661 -1.029 -1.733) 3.338 2.577 ( -2.206 0.646 -3.904) 4.531 2.633 ( 1.871 -8.546 3.571) 9.449 2.796 ( -4.902 -4.506 0.599) 6.685 2.919 ( -0.310 -1.781 -4.260) 4.628 3.030 ( 5.251 -3.854 -0.546) 6.536 3.062 ( -2.954 -2.798 1.005) 4.191 3.255 ( -1.111 3.291 5.250) 6.295 3.389 ( 1.122 0.243 1.133) 1.613 3.577 ( 4.298 0.213 2.863) 5.169 3.625 ( -0.831 -0.205 -2.556) 2.696 3.807 ( 8.483 7.981 0.078) 11.648 3.909 ( -3.056 9.059 3.934) 10.338 4.129 ( -4.264 4.853 -2.079) 6.786 4.271 ( 2.097 -2.100 -3.705) 4.747 4.507 ( 0.804 -1.819 -0.449) 2.039 4.658 ( -0.389 -2.868 -1.795) 3.406 6.311 ( 0.340 2.524 7.583) 8.000 6.510 ( -1.991 -0.061 4.075) 4.535 6.767 ( 1.214 5.410 1.784) 5.824 6.923 ( 1.141 2.817 -1.014) 3.204 7.039 ( -5.013 2.914 2.220) 6.209 7.125 ( -3.976 0.100 2.909) 4.927 7.244 ( 0.227 -1.305 -0.253) 1.348 7.330 ( 1.909 1.735 5.481) 6.058 7.365 ( -3.698 -0.443 6.822) 7.772 7.505 ( -3.718 -1.556 -2.758) 4.883 7.620 ( -0.114 7.420 -3.674) 8.280 7.658 ( -0.081 4.425 0.484) 4.452 7.922 ( 2.134 5.492 -5.101) 7.793 8.141 ( 6.183 -5.245 1.006) 8.170 8.272 ( 1.619 -0.599 1.724) 2.440 8.408 ( -2.326 -1.770 3.584) 4.625 8.556 ( -5.177 -4.327 3.397) 7.554 8.738 ( 1.085 -6.245 -1.702) 6.563 8.920 ( 1.451 -0.257 -4.796) 5.017 8.999 ( 0.583 0.504 -3.693) 3.773 9.133 ( -1.248 0.424 2.214) 2.577 9.286 ( -2.781 -3.103 -0.464) 4.192 9.347 ( 1.941 -0.408 -5.963) 6.285 9.438 ( 1.787 -2.013 -4.264) 5.042 ======================= Grid point 139 (73/136) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -4.369 5.928 1.955) 7.619 1.874 ( 0.193 4.139 1.378) 4.367 1.903 ( -1.229 3.405 0.210) 3.627 2.081 ( 5.243 -3.168 0.071) 6.126 2.136 ( -5.505 -1.229 8.192) 9.946 2.280 ( 1.399 -1.464 0.464) 2.078 2.370 ( -3.388 -4.403 0.426) 5.572 2.479 ( 1.314 -0.007 -2.178) 2.543 2.527 ( -0.688 -0.989 -3.433) 3.638 2.667 ( 0.589 -5.612 0.602) 5.675 2.745 ( 0.830 -3.318 -0.420) 3.446 2.902 ( -0.861 1.905 -0.860) 2.261 2.994 ( -2.658 -4.975 0.117) 5.642 3.121 ( 2.023 -4.432 -0.931) 4.961 3.237 ( -1.695 0.785 5.083) 5.416 3.443 ( 3.124 0.976 0.007) 3.273 3.614 ( 0.334 0.297 -1.230) 1.309 3.659 ( 3.510 -1.512 -0.106) 3.823 3.832 ( -5.056 9.613 3.956) 11.560 3.930 ( -1.838 12.699 0.995) 12.870 4.078 ( 4.778 7.021 -0.156) 8.494 4.271 ( -1.052 -1.561 -4.044) 4.461 4.554 ( 3.426 -3.939 0.585) 5.253 4.635 ( -1.524 -3.167 -2.864) 4.534 6.330 ( -0.841 2.862 9.470) 9.929 6.512 ( 1.137 1.861 4.508) 5.008 6.768 ( -1.547 4.014 0.597) 4.343 6.925 ( -2.318 5.559 -3.357) 6.895 6.938 ( -3.313 1.078 1.674) 3.865 7.088 ( -1.312 -3.149 4.943) 6.006 7.259 ( 0.107 -2.316 0.376) 2.349 7.307 ( -1.645 2.475 2.627) 3.966 7.361 ( -1.423 1.050 7.158) 7.373 7.463 ( 1.623 -1.992 -6.144) 6.659 7.581 ( -1.530 4.453 1.420) 4.918 7.690 ( 2.703 6.769 -0.762) 7.328 7.969 ( 2.584 6.703 -4.831) 8.657 8.250 ( 3.419 -6.383 4.685) 8.624 8.325 ( 2.990 -0.552 2.723) 4.082 8.369 ( -1.586 1.428 -0.383) 2.169 8.461 ( -4.114 -4.870 4.219) 7.644 8.752 ( 0.892 -5.940 -2.639) 6.561 8.943 ( 1.625 -0.689 -4.089) 4.454 9.007 ( 0.865 1.201 -2.926) 3.279 9.096 ( -2.844 -0.294 0.827) 2.976 9.223 ( -3.194 -3.283 -1.383) 4.784 9.372 ( 1.785 -0.541 -4.171) 4.570 9.476 ( 3.135 -2.719 -4.456) 6.089 ======================= Grid point 140 (74/136) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -12.265 7.693 3.295) 14.848 1.801 ( -8.183 7.283 4.463) 11.829 1.904 ( 3.052 2.504 -0.268) 3.957 2.073 ( -0.546 -1.782 7.997) 8.211 2.253 ( 5.000 -2.109 0.646) 5.465 2.303 ( -2.077 -3.571 -0.994) 4.249 2.328 ( 3.224 -5.533 -0.451) 6.420 2.459 ( -0.877 -3.228 -5.507) 6.443 2.591 ( 6.097 0.364 -0.643) 6.142 2.695 ( 2.481 -2.785 -0.768) 3.808 2.794 ( 2.999 -4.854 -1.827) 5.991 2.867 ( -2.507 5.434 3.841) 7.111 2.971 ( 1.087 -4.293 -1.989) 4.854 3.113 ( -2.224 2.324 3.738) 4.932 3.222 ( -0.855 -2.885 -0.907) 3.143 3.455 ( -3.212 2.714 2.006) 4.659 3.618 ( -0.394 -0.141 1.230) 1.300 3.691 ( -1.013 -1.261 -1.360) 2.113 3.771 ( -0.159 6.005 0.457) 6.025 3.857 ( -2.352 10.284 4.092) 11.315 4.192 ( -0.681 0.420 -3.205) 3.303 4.260 ( 5.738 4.497 -1.637) 7.472 4.578 ( -3.451 -4.177 -3.402) 6.398 4.623 ( 3.005 -3.939 0.468) 4.976 6.329 ( -1.673 3.993 11.092) 11.907 6.563 ( 2.320 2.236 4.785) 5.768 6.721 ( -2.517 1.608 -0.317) 3.003 6.810 ( -5.715 3.740 -2.994) 7.457 6.942 ( 1.043 1.206 -0.074) 1.597 7.056 ( -4.061 -1.566 7.334) 8.528 7.231 ( -1.674 -0.875 3.884) 4.319 7.317 ( 0.955 2.852 -4.212) 5.176 7.386 ( 3.017 -0.644 1.791) 3.567 7.484 ( 2.280 -1.207 -3.410) 4.276 7.597 ( 1.323 6.583 6.099) 9.071 7.762 ( 4.352 4.218 0.494) 6.081 7.981 ( 0.161 7.307 -5.575) 9.192 8.290 ( -0.033 -4.754 6.991) 8.454 8.339 ( -1.001 0.401 -2.233) 2.480 8.401 ( 3.861 2.850 2.358) 5.347 8.455 ( 1.914 -8.250 3.515) 9.170 8.770 ( 1.881 -5.540 -2.747) 6.463 8.947 ( -0.330 -0.438 -5.588) 5.615 9.014 ( 0.184 0.387 -2.451) 2.488 9.025 ( -4.281 -1.212 0.012) 4.449 9.159 ( -2.578 -2.685 -1.784) 4.128 9.395 ( 1.454 0.943 -3.035) 3.495 9.534 ( 3.434 -2.858 -3.907) 5.935 ======================= Grid point 141 (75/136) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -9.010 13.378 6.839) 17.519 1.627 ( -10.296 10.458 10.182) 17.862 1.977 ( 3.325 1.691 2.154) 4.307 2.152 ( 6.121 0.493 1.687) 6.368 2.254 ( -0.984 -7.636 -2.180) 8.002 2.297 ( 0.481 1.233 1.187) 1.778 2.381 ( 0.979 -3.435 -1.177) 3.761 2.442 ( 0.741 -4.214 -6.392) 7.692 2.708 ( 4.805 0.254 -0.929) 4.900 2.730 ( -1.030 0.925 1.688) 2.184 2.761 ( -2.663 2.507 1.005) 3.793 2.898 ( 2.461 0.089 0.598) 2.534 2.988 ( -2.540 -4.074 -1.140) 4.935 3.144 ( 7.473 3.920 3.768) 9.242 3.193 ( -1.030 0.795 -0.808) 1.532 3.353 ( -5.509 3.437 3.903) 7.576 3.607 ( -1.121 -0.868 2.828) 3.163 3.675 ( 0.096 -0.904 -3.133) 3.263 3.760 ( -0.864 1.444 -0.890) 1.903 3.870 ( 0.764 4.579 2.826) 5.435 4.119 ( -3.980 -2.714 -2.195) 5.294 4.381 ( 4.646 2.494 -1.875) 5.597 4.486 ( -4.452 -4.303 -2.816) 6.802 4.666 ( 1.406 -3.313 -0.572) 3.645 6.325 ( -1.616 3.973 11.687) 12.449 6.605 ( 0.395 -3.051 3.425) 4.603 6.687 ( -1.906 4.377 -1.390) 4.972 6.721 ( -0.680 3.118 0.590) 3.245 6.961 ( -0.335 0.292 -0.661) 0.796 6.989 ( -2.402 3.056 7.343) 8.308 7.230 ( 0.312 0.928 5.334) 5.423 7.305 ( -0.630 1.744 -3.064) 3.581 7.468 ( 4.377 -2.081 -1.289) 5.015 7.545 ( 3.712 -0.559 -2.386) 4.447 7.642 ( 1.613 6.667 5.816) 8.993 7.820 ( 0.046 3.575 1.237) 3.783 7.974 ( 1.122 6.361 -5.355) 8.390 8.302 ( -0.222 -2.243 3.691) 4.325 8.344 ( 2.169 -1.557 -2.308) 3.529 8.452 ( 0.462 -2.493 0.918) 2.696 8.534 ( 4.575 -3.247 3.768) 6.758 8.811 ( 2.257 -4.708 -2.785) 5.917 8.904 ( -1.506 0.054 -3.192) 3.529 8.935 ( -4.384 -2.635 -1.973) 5.482 9.007 ( 0.122 -0.098 -2.049) 2.055 9.120 ( -1.007 -1.771 -2.512) 3.234 9.411 ( 0.777 2.645 -2.724) 3.876 9.581 ( 1.981 -2.453 -3.233) 4.516 ======================= Grid point 142 (76/136) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.189 18.121 10.850) 21.121 1.478 ( -7.007 14.503 12.720) 20.524 2.043 ( 2.610 2.039 4.331) 5.453 2.196 ( -0.968 -2.786 -1.962) 3.542 2.278 ( 0.946 -1.371 0.232) 1.681 2.352 ( 4.027 -3.569 0.392) 5.395 2.380 ( 1.561 -0.019 -2.789) 3.196 2.448 ( 1.191 -3.375 -5.705) 6.735 2.623 ( -7.837 12.587 9.246) 17.474 2.746 ( 0.631 0.071 -3.853) 3.905 2.789 ( 1.158 -2.141 -1.956) 3.123 2.910 ( -1.922 -0.739 0.213) 2.070 2.944 ( 1.649 1.982 1.531) 2.998 3.167 ( -0.989 0.494 1.083) 1.547 3.270 ( 0.706 -0.871 -0.388) 1.186 3.395 ( 9.254 2.368 3.709) 10.247 3.583 ( -1.426 -0.135 -0.712) 1.599 3.666 ( -0.871 -0.625 -0.856) 1.372 3.736 ( -1.205 1.437 0.361) 1.910 3.872 ( -0.727 1.127 1.675) 2.145 4.039 ( -3.930 -3.712 -0.413) 5.422 4.353 ( -4.603 -11.110 -2.531) 12.289 4.478 ( 2.542 3.349 -0.867) 4.293 4.682 ( 0.647 -2.792 -2.197) 3.611 6.321 ( -1.681 3.564 10.247) 10.978 6.604 ( -0.547 -2.388 0.544) 2.509 6.655 ( -0.369 -1.338 1.439) 1.999 6.763 ( 2.327 3.610 3.777) 5.719 6.940 ( -0.029 2.134 6.450) 6.794 7.025 ( 3.415 4.622 1.471) 5.932 7.264 ( 1.418 1.895 5.874) 6.333 7.293 ( 0.033 0.817 -0.421) 0.920 7.531 ( 2.256 -1.083 -1.765) 3.062 7.586 ( 0.674 -1.072 -4.061) 4.254 7.679 ( 0.395 5.815 4.862) 7.590 7.779 ( -3.280 3.940 -0.121) 5.128 7.980 ( 0.155 5.867 -6.312) 8.619 8.310 ( 0.203 -1.842 2.096) 2.798 8.372 ( 0.614 -3.571 -7.202) 8.062 8.434 ( -1.772 -2.474 0.869) 3.165 8.605 ( 0.835 -3.563 1.916) 4.131 8.800 ( -2.280 -5.550 -2.013) 6.329 8.882 ( 1.295 1.312 -2.232) 2.895 8.934 ( 3.533 -0.337 0.765) 3.630 9.018 ( 1.840 -1.217 -1.907) 2.915 9.099 ( -0.342 -1.685 -2.016) 2.649 9.408 ( -0.352 3.933 -3.046) 4.987 9.589 ( -0.402 -1.577 -2.806) 3.244 ======================= Grid point 143 (77/136) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.542 14.723 8.381) 17.011 1.807 ( 2.589 15.811 5.647) 16.987 2.028 ( 1.410 -8.319 7.646) 11.387 2.158 ( 1.827 -12.226 1.894) 12.506 2.201 ( 1.225 5.139 -4.100) 6.688 2.301 ( 0.390 -3.515 -0.396) 3.558 2.382 ( -0.079 -1.301 -1.706) 2.146 2.408 ( 0.939 -3.475 -2.879) 4.609 2.712 ( -2.283 3.899 -2.391) 5.112 2.746 ( -0.360 -0.055 -3.849) 3.866 2.774 ( -0.642 3.797 -4.505) 5.926 2.866 ( -0.038 -4.015 -3.089) 5.066 3.098 ( 0.730 3.181 -0.403) 3.288 3.154 ( -0.483 -1.600 -1.452) 2.214 3.364 ( -1.543 13.774 4.414) 14.546 3.552 ( -1.942 -0.922 -1.006) 2.373 3.555 ( 1.036 1.102 -0.678) 1.657 3.624 ( -0.907 -3.168 0.359) 3.314 3.818 ( 3.991 3.074 6.214) 8.000 3.866 ( -4.839 1.616 1.366) 5.281 3.876 ( 3.260 -3.837 2.536) 5.638 4.015 ( -2.908 -12.246 3.904) 13.178 4.557 ( 0.415 2.666 0.286) 2.713 4.620 ( 0.191 -3.392 -0.838) 3.499 6.399 ( -1.196 4.889 7.609) 9.123 6.511 ( -0.424 -6.245 6.765) 9.217 6.687 ( 1.498 3.905 -0.440) 4.206 6.770 ( 2.275 -3.894 1.383) 4.718 7.084 ( 1.751 4.324 11.251) 12.179 7.142 ( 1.976 -0.940 7.920) 8.217 7.318 ( 0.832 1.420 -1.904) 2.517 7.336 ( 0.985 -0.022 1.098) 1.475 7.533 ( -2.876 0.477 -1.139) 3.130 7.552 ( -0.135 -0.943 -0.540) 1.095 7.768 ( -1.323 4.062 1.898) 4.675 7.794 ( -1.272 1.727 1.145) 2.431 8.080 ( -0.916 6.178 -8.158) 10.274 8.198 ( -2.210 -5.148 -4.389) 7.117 8.308 ( -2.193 0.166 -2.346) 3.216 8.350 ( -2.373 -2.843 -4.252) 5.639 8.551 ( -1.161 1.380 0.279) 1.825 8.636 ( -0.933 -5.995 -1.786) 6.325 8.942 ( 1.060 1.596 -5.210) 5.551 8.984 ( 1.192 -2.456 -3.608) 4.525 9.060 ( 3.713 1.795 2.225) 4.686 9.098 ( 3.880 -1.852 3.623) 5.623 9.467 ( -1.097 3.590 -3.706) 5.275 9.526 ( -1.522 -2.174 -3.500) 4.393 ======================= Grid point 144 (78/136) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 3.492 13.827 6.595) 15.712 1.858 ( 0.240 15.201 5.634) 16.213 2.073 ( 1.239 -6.039 4.328) 7.532 2.185 ( -0.206 -9.768 2.806) 10.165 2.218 ( 1.728 4.309 -1.785) 4.974 2.308 ( 0.285 -3.219 -0.909) 3.357 2.368 ( -0.793 -2.928 0.215) 3.041 2.387 ( -2.185 -4.757 -2.352) 5.739 2.659 ( -2.379 5.427 -2.066) 6.275 2.738 ( 0.522 1.194 -4.838) 5.010 2.752 ( 0.041 0.847 -5.456) 5.521 2.843 ( -1.719 -4.677 -2.364) 5.515 3.079 ( -2.449 0.544 0.426) 2.545 3.121 ( -2.585 -2.662 -2.195) 4.311 3.357 ( -0.063 10.277 1.819) 10.437 3.479 ( -4.884 -2.161 -0.081) 5.341 3.533 ( -2.215 2.254 2.961) 4.331 3.592 ( -0.815 -2.266 -0.669) 2.500 3.784 ( -0.793 7.282 5.150) 8.954 3.961 ( 5.665 1.558 2.874) 6.541 4.003 ( 7.225 -2.004 -0.262) 7.503 4.026 ( 2.338 -11.897 4.332) 12.875 4.563 ( 0.015 2.240 -0.087) 2.242 4.618 ( -0.223 -2.927 -1.130) 3.145 6.389 ( -1.482 5.263 6.381) 8.403 6.504 ( -1.739 -6.003 5.302) 8.196 6.745 ( 3.896 4.941 0.990) 6.369 6.838 ( 3.747 -3.667 2.122) 5.656 7.133 ( -0.624 2.506 11.536) 11.821 7.181 ( -0.426 -1.523 7.320) 7.489 7.327 ( 0.042 0.519 -3.447) 3.486 7.334 ( -0.569 0.398 -3.854) 3.916 7.471 ( -2.929 2.574 5.137) 6.450 7.537 ( -1.008 -2.651 3.318) 4.364 7.763 ( 0.125 4.126 0.801) 4.205 7.790 ( 0.954 3.883 0.643) 4.050 8.019 ( -3.045 4.534 -8.986) 10.516 8.108 ( -5.084 -3.335 -6.578) 8.958 8.263 ( -1.245 0.292 -1.542) 2.004 8.309 ( -0.025 -3.695 -2.802) 4.637 8.546 ( -0.137 0.361 2.983) 3.008 8.618 ( -0.719 -5.741 -0.234) 5.790 8.937 ( 0.403 1.725 -6.376) 6.618 8.983 ( 0.384 -2.665 -5.304) 5.948 9.137 ( 2.579 2.202 3.294) 4.727 9.187 ( 3.355 -2.575 3.472) 5.472 9.426 ( -1.852 2.938 -4.395) 5.602 9.473 ( -2.606 -1.610 -4.513) 5.454 ======================= Grid point 145 (79/136) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -2.024 13.502 4.316) 14.319 1.886 ( 3.012 10.028 3.605) 11.074 2.092 ( 0.195 -0.825 -1.576) 1.790 2.163 ( -2.552 -8.836 4.152) 10.090 2.252 ( 1.045 0.756 1.035) 1.654 2.273 ( -3.343 -1.583 -3.638) 5.189 2.350 ( -0.761 -2.387 0.308) 2.525 2.369 ( 0.364 -4.970 5.061) 7.102 2.605 ( -2.571 4.768 -1.708) 5.680 2.716 ( -0.842 5.091 -7.376) 9.002 2.742 ( -1.835 -7.698 -2.513) 8.303 2.809 ( 0.390 -3.552 -5.689) 6.718 3.022 ( -2.709 0.485 1.486) 3.127 3.057 ( -2.884 -2.900 -0.886) 4.185 3.344 ( -1.243 4.077 1.261) 4.445 3.393 ( -3.285 -1.240 2.537) 4.332 3.534 ( 1.544 2.668 2.810) 4.171 3.596 ( 0.796 -3.189 -1.978) 3.836 3.849 ( 5.745 11.803 4.696) 13.942 4.048 ( 2.572 2.802 2.241) 4.415 4.101 ( 3.663 -8.656 3.487) 10.025 4.121 ( 4.387 -2.358 -1.268) 5.139 4.551 ( -1.231 2.480 -0.747) 2.868 4.607 ( -0.567 -2.890 -1.094) 3.142 6.378 ( -0.998 4.873 5.755) 7.607 6.479 ( -1.739 -4.813 4.377) 6.734 6.830 ( 3.868 5.406 1.705) 6.862 6.912 ( 2.915 -1.807 2.032) 3.987 7.110 ( -3.190 1.071 5.106) 6.115 7.165 ( -1.659 -3.636 2.920) 4.949 7.302 ( -2.715 2.233 -1.162) 3.702 7.313 ( 0.060 0.978 -0.052) 0.981 7.430 ( -3.604 2.499 8.161) 9.265 7.518 ( -2.897 -4.300 3.031) 6.005 7.770 ( 0.331 6.584 0.408) 6.605 7.839 ( 2.688 8.208 0.588) 8.657 7.936 ( -1.795 -3.465 -6.391) 7.489 7.996 ( -3.232 -2.262 -5.827) 7.037 8.264 ( 1.494 2.218 -0.168) 2.680 8.338 ( 2.457 -4.095 1.101) 4.901 8.544 ( -1.217 -0.382 3.216) 3.460 8.603 ( -0.802 -5.573 0.145) 5.632 8.934 ( 0.905 1.856 -6.174) 6.510 8.978 ( 0.614 -2.262 -5.302) 5.797 9.169 ( -0.027 2.460 2.472) 3.487 9.232 ( 0.298 -3.608 1.893) 4.085 9.380 ( -1.234 1.924 -5.221) 5.699 9.415 ( -1.564 -1.394 -5.185) 5.593 ======================= Grid point 146 (80/136) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.487 7.167 2.457) 7.721 1.912 ( -0.914 2.834 1.006) 3.144 2.067 ( -2.233 4.106 -3.141) 5.631 2.128 ( -2.049 -4.495 0.980) 5.036 2.184 ( -4.164 2.289 0.633) 4.793 2.251 ( -1.414 -2.706 1.340) 3.335 2.342 ( -1.013 -1.138 4.053) 4.330 2.393 ( 0.306 -6.057 4.859) 7.771 2.558 ( -1.231 4.306 -2.496) 5.127 2.667 ( -2.261 -0.485 -4.949) 5.462 2.695 ( -0.747 -0.883 -3.838) 4.008 2.807 ( 0.703 -7.075 -7.824) 10.572 2.997 ( -0.876 0.621 1.157) 1.578 3.022 ( -0.049 -1.701 0.480) 1.768 3.329 ( -1.238 3.379 5.193) 6.318 3.381 ( 1.194 -1.449 1.772) 2.582 3.578 ( 1.884 0.586 1.615) 2.550 3.604 ( 0.786 -1.574 -1.506) 2.316 3.998 ( 6.309 9.787 2.661) 11.945 4.078 ( 1.269 7.124 1.772) 7.450 4.155 ( -0.094 -3.652 0.266) 3.663 4.195 ( 4.417 -4.934 0.586) 6.648 4.513 ( -2.110 2.643 -0.745) 3.463 4.587 ( -1.268 -3.952 -1.178) 4.314 6.384 ( 0.039 4.234 6.376) 7.654 6.467 ( -0.351 -3.578 4.641) 5.870 6.886 ( 1.167 5.464 2.089) 5.965 6.962 ( 1.613 -0.768 1.343) 2.235 7.054 ( -3.333 1.702 1.965) 4.227 7.130 ( -3.971 -3.349 0.152) 5.197 7.239 ( -1.529 4.408 -1.099) 4.793 7.331 ( 1.742 -2.111 0.011) 2.737 7.376 ( -3.390 1.292 8.213) 8.978 7.433 ( -5.231 -4.432 2.445) 7.279 7.749 ( -2.153 7.618 -1.620) 8.081 7.830 ( -1.652 5.386 -3.842) 6.819 7.983 ( 4.605 -2.718 1.339) 5.512 7.998 ( 4.052 -3.345 1.256) 5.402 8.310 ( 2.638 4.033 1.445) 5.031 8.381 ( 0.858 -1.961 3.107) 3.773 8.505 ( -3.451 0.218 0.999) 3.599 8.589 ( -0.470 -7.334 -1.193) 7.445 8.944 ( 1.569 2.042 -5.272) 5.867 8.986 ( 1.492 -1.710 -4.557) 5.091 9.154 ( -1.859 1.860 1.481) 3.018 9.210 ( -2.392 -3.551 0.610) 4.325 9.359 ( 0.584 1.298 -5.828) 5.999 9.395 ( 0.780 -2.111 -4.847) 5.344 ======================= Grid point 147 (81/136) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -2.387 2.693 2.067) 4.150 1.908 ( 2.687 -0.263 0.892) 2.843 1.992 ( -3.968 4.048 -1.193) 5.793 2.045 ( -4.169 -0.862 -1.722) 4.592 2.154 ( -0.167 2.782 4.468) 5.266 2.235 ( -0.423 -3.893 1.704) 4.270 2.318 ( -2.016 0.638 2.459) 3.243 2.391 ( -1.176 -5.892 0.820) 6.064 2.558 ( 2.075 4.521 -3.165) 5.896 2.643 ( 1.152 -1.337 -3.013) 3.492 2.696 ( 1.669 0.634 -3.642) 4.056 2.807 ( 1.217 -8.680 -6.406) 10.857 2.981 ( -0.812 2.782 0.786) 3.003 3.041 ( 1.354 -3.158 -0.789) 3.526 3.314 ( -1.865 5.463 6.886) 8.986 3.418 ( 1.251 -3.796 3.062) 5.035 3.610 ( 1.227 0.447 -0.005) 1.306 3.632 ( 1.937 -1.260 -1.383) 2.693 4.001 ( -3.744 7.247 2.261) 8.465 4.100 ( -4.157 -0.096 1.067) 4.293 4.214 ( 7.813 6.032 0.359) 9.877 4.261 ( 1.159 1.533 0.372) 1.958 4.488 ( 0.482 -1.163 -0.023) 1.259 4.547 ( -2.376 -5.144 -1.676) 5.909 6.407 ( 0.214 4.376 7.750) 8.903 6.491 ( 1.143 -3.330 5.743) 6.736 6.883 ( -2.656 6.346 0.199) 6.883 6.959 ( -2.766 0.691 0.671) 2.929 6.998 ( -3.930 0.384 -1.458) 4.209 7.017 ( -2.389 -3.639 0.827) 4.430 7.243 ( 0.228 2.900 2.064) 3.567 7.337 ( -0.775 -2.541 0.443) 2.693 7.370 ( -1.310 0.295 4.861) 5.043 7.393 ( 3.018 -2.088 0.908) 3.781 7.714 ( -0.482 7.155 0.334) 7.179 7.798 ( -0.481 1.224 -1.787) 2.218 8.074 ( 4.164 2.198 0.639) 4.752 8.107 ( 4.897 -4.351 5.611) 8.625 8.355 ( -0.077 2.413 3.205) 4.013 8.389 ( -0.696 -0.817 2.755) 2.957 8.425 ( -2.409 3.640 -2.869) 5.223 8.583 ( 0.489 -9.684 -1.850) 9.871 8.965 ( 1.504 2.100 -4.895) 5.535 9.006 ( 1.239 -1.402 -4.415) 4.795 9.108 ( -2.961 1.581 0.714) 3.431 9.156 ( -2.927 -3.018 -0.237) 4.211 9.375 ( 2.317 1.121 -4.861) 5.500 9.417 ( 2.612 -2.816 -4.469) 5.893 ======================= Grid point 148 (82/136) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -6.944 8.508 3.399) 11.496 1.899 ( -3.642 0.245 1.700) 4.027 1.961 ( 0.872 1.938 -0.371) 2.158 2.020 ( 0.426 -2.806 4.989) 5.740 2.188 ( 0.269 -1.439 0.083) 1.466 2.230 ( 1.325 -3.623 1.615) 4.182 2.308 ( 1.075 2.130 -0.178) 2.392 2.369 ( -0.388 -4.081 -2.618) 4.864 2.625 ( 5.627 3.828 -4.023) 7.906 2.687 ( 3.311 0.005 -1.937) 3.836 2.730 ( 2.351 -0.831 -3.021) 3.917 2.822 ( 1.806 -8.538 -5.171) 10.143 2.972 ( -0.026 4.745 0.216) 4.750 3.065 ( 1.415 -4.484 -1.449) 4.920 3.300 ( -0.859 7.434 6.288) 9.775 3.438 ( 0.014 -4.930 3.563) 6.083 3.617 ( -1.084 1.231 0.515) 1.719 3.652 ( 0.185 -1.828 -1.575) 2.420 3.918 ( -4.737 6.798 1.741) 8.467 4.002 ( -5.246 0.577 2.257) 5.740 4.220 ( -4.264 5.708 0.996) 7.194 4.340 ( 2.331 -0.944 0.224) 2.525 4.486 ( -0.895 -1.358 -0.748) 1.790 4.545 ( 3.142 -4.167 -0.887) 5.294 6.421 ( -1.011 4.928 8.718) 10.065 6.521 ( -0.268 -4.481 6.069) 7.549 6.800 ( -3.684 3.866 -1.454) 5.534 6.844 ( -6.065 -0.333 -3.227) 6.878 6.978 ( 1.262 2.291 1.443) 2.987 7.027 ( 0.041 -2.032 5.317) 5.692 7.244 ( -0.281 2.932 3.943) 4.921 7.326 ( -0.246 -3.796 -0.201) 3.809 7.395 ( 2.271 3.244 -0.665) 4.015 7.453 ( 3.140 -2.050 -0.797) 3.834 7.736 ( 1.622 6.213 3.617) 7.370 7.812 ( 1.973 -0.458 0.999) 2.258 8.128 ( 0.854 5.983 -1.573) 6.245 8.205 ( 3.197 -3.180 5.910) 7.434 8.328 ( -1.265 -2.666 1.620) 3.366 8.333 ( -2.404 -1.374 -0.183) 2.774 8.472 ( 4.383 4.659 -0.085) 6.397 8.611 ( 2.792 -8.595 -1.071) 9.100 8.962 ( -0.780 1.487 -5.511) 5.762 8.991 ( -2.127 -1.265 -4.524) 5.157 9.051 ( -2.199 2.045 -0.557) 3.054 9.102 ( -1.949 -2.833 -1.503) 3.753 9.419 ( 2.968 1.796 -3.471) 4.907 9.471 ( 3.472 -3.093 -3.530) 5.838 ======================= Grid point 149 (83/136) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -3.066 13.900 4.775) 15.013 1.826 ( -4.142 6.367 5.229) 9.221 1.979 ( 0.085 -3.549 3.816) 5.212 2.056 ( 1.707 -6.983 5.354) 8.964 2.175 ( 0.526 1.262 -3.298) 3.570 2.271 ( 1.604 -5.571 -1.315) 5.945 2.344 ( 2.171 0.872 -1.187) 2.623 2.365 ( 0.674 -1.762 -3.472) 3.951 2.732 ( 3.254 0.922 -3.220) 4.670 2.742 ( 3.916 2.236 -2.664) 5.237 2.763 ( 1.530 -0.342 -3.137) 3.507 2.852 ( 2.041 -6.068 -4.264) 7.693 2.994 ( 2.489 5.104 -0.303) 5.686 3.100 ( 2.794 -4.957 -2.053) 6.049 3.328 ( 2.744 7.942 4.680) 9.618 3.432 ( -1.579 0.044 1.887) 2.461 3.575 ( -2.586 0.917 4.777) 5.509 3.638 ( -0.725 -3.015 -1.284) 3.356 3.835 ( -3.903 5.199 0.960) 6.571 3.919 ( -3.890 -1.498 2.231) 4.728 4.120 ( -5.820 4.596 1.910) 7.658 4.277 ( -6.920 -8.994 1.207) 11.412 4.516 ( 2.416 4.055 -0.901) 4.805 4.596 ( 1.766 -3.706 -0.458) 4.131 6.412 ( -1.880 4.493 8.706) 9.976 6.507 ( -1.849 -4.948 5.209) 7.418 6.740 ( -3.476 1.230 -2.339) 4.366 6.755 ( -1.127 -0.141 0.294) 1.173 7.011 ( 0.698 3.183 4.504) 5.559 7.040 ( 0.435 0.723 5.890) 5.950 7.263 ( 1.184 2.735 3.703) 4.754 7.318 ( -0.345 -1.402 -1.385) 2.000 7.457 ( 4.130 1.734 -1.816) 4.833 7.513 ( 3.142 -2.633 -2.010) 4.566 7.775 ( 0.979 5.847 4.785) 7.619 7.852 ( 0.517 -1.109 2.827) 3.081 8.110 ( -0.694 6.802 -4.614) 8.248 8.236 ( -0.837 -5.057 -0.613) 5.163 8.318 ( 1.667 0.204 1.225) 2.078 8.361 ( 2.254 -3.663 2.722) 5.090 8.559 ( 3.700 3.661 -0.368) 5.218 8.670 ( 2.593 -7.132 -1.338) 7.706 8.911 ( -1.983 0.541 -4.085) 4.574 8.920 ( -2.723 -0.295 -2.811) 3.925 9.024 ( -0.434 1.851 -2.489) 3.132 9.073 ( -0.685 -2.660 -2.691) 3.845 9.464 ( 2.130 2.756 -2.898) 4.531 9.524 ( 2.449 -3.022 -2.946) 4.879 ======================= Grid point 150 (84/136) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.252 15.758 6.873) 17.237 1.777 ( -1.737 13.215 6.560) 14.856 1.992 ( 0.195 -7.646 7.030) 10.389 2.109 ( 2.437 -12.340 2.736) 12.872 2.187 ( 1.248 4.044 -4.190) 5.956 2.292 ( 0.774 -4.363 -0.663) 4.480 2.376 ( 1.050 -0.746 -2.563) 2.869 2.381 ( 2.165 -1.152 -3.511) 4.283 2.747 ( -0.185 1.195 -2.795) 3.046 2.760 ( -0.174 0.150 -2.284) 2.295 2.793 ( 0.484 2.812 -4.318) 5.176 2.867 ( 0.717 -3.687 -3.639) 5.229 3.058 ( 3.191 5.590 -0.155) 6.439 3.148 ( 1.837 -3.357 -2.166) 4.397 3.379 ( -1.039 11.635 2.718) 11.994 3.461 ( 6.625 2.887 1.763) 7.439 3.565 ( -0.137 -1.028 3.052) 3.223 3.629 ( -0.220 -4.365 0.687) 4.425 3.777 ( -1.643 3.098 1.633) 3.868 3.857 ( -2.341 -3.400 2.349) 4.750 4.003 ( -6.804 1.654 2.691) 7.501 4.124 ( -8.090 -9.964 2.495) 13.075 4.546 ( 0.835 3.325 -0.118) 3.430 4.615 ( 0.559 -3.509 -0.566) 3.598 6.401 ( -1.296 4.247 8.314) 9.425 6.498 ( -0.434 -5.364 6.289) 8.278 6.689 ( -1.240 2.572 -1.472) 3.212 6.746 ( 0.027 -2.864 0.935) 3.013 7.033 ( 0.619 4.540 8.261) 9.447 7.082 ( 2.008 0.130 6.034) 6.361 7.302 ( 1.645 1.524 3.033) 3.772 7.312 ( 0.068 0.723 -0.589) 0.935 7.527 ( 2.924 0.718 -1.929) 3.576 7.556 ( 1.252 -1.770 -2.656) 3.428 7.788 ( -0.928 4.515 4.334) 6.327 7.833 ( -2.501 0.512 1.916) 3.192 8.099 ( 0.604 5.772 -6.467) 8.689 8.221 ( 0.076 -6.130 -3.159) 6.896 8.341 ( -0.266 1.074 -0.571) 1.245 8.389 ( -0.241 -2.657 -1.098) 2.885 8.584 ( -0.967 1.837 -1.880) 2.801 8.670 ( -1.624 -6.088 -2.933) 6.950 8.907 ( 2.430 1.129 -1.847) 3.254 8.928 ( 3.462 -0.787 0.674) 3.614 9.018 ( 0.693 1.340 -2.212) 2.677 9.059 ( 0.033 -2.243 -1.671) 2.797 9.483 ( 0.456 3.443 -3.121) 4.669 9.546 ( 0.455 -2.696 -2.954) 4.025 ======================= Grid point 175 (85/136) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 4.272 0.000 20.403) 20.846 1.448 ( -1.034 0.000 20.773) 20.799 1.954 ( -3.415 0.000 -12.232) 12.699 2.049 ( -0.130 0.000 -9.764) 9.765 2.183 ( -6.520 0.000 11.370) 13.106 2.398 ( 2.430 0.000 -2.234) 3.301 2.466 ( -0.785 0.000 1.617) 1.798 2.485 ( -0.092 0.000 19.603) 19.604 2.638 ( -1.605 0.000 -5.093) 5.340 2.679 ( 7.039 0.000 1.721) 7.246 2.884 ( 0.911 0.000 -0.007) 0.911 3.058 ( 1.015 0.000 -0.518) 1.139 3.064 ( 0.172 0.000 3.763) 3.767 3.202 ( -1.299 0.000 1.641) 2.093 3.249 ( 3.366 0.000 -0.781) 3.456 3.407 ( 0.246 0.000 -9.417) 9.420 3.513 ( -1.502 0.000 0.859) 1.730 3.571 ( -1.093 0.000 -1.971) 2.254 3.804 ( 1.472 0.000 6.111) 6.286 3.863 ( 0.088 0.000 -0.534) 0.541 4.028 ( -2.938 0.000 0.885) 3.069 4.360 ( -1.753 0.000 -7.626) 7.824 4.529 ( 7.600 0.000 -5.549) 9.410 4.565 ( -4.782 0.000 -4.155) 6.335 6.290 ( -1.715 0.000 2.949) 3.411 6.410 ( 0.329 0.000 -3.372) 3.387 6.769 ( 5.002 0.000 1.725) 5.292 6.866 ( -1.306 0.000 -4.244) 4.441 7.059 ( 1.270 0.000 10.841) 10.915 7.166 ( 6.640 0.000 9.687) 11.744 7.322 ( -1.846 0.000 7.890) 8.104 7.368 ( 0.940 0.000 -4.756) 4.848 7.389 ( -5.209 0.000 -5.646) 7.682 7.546 ( -0.380 0.000 -3.388) 3.409 7.592 ( 1.154 0.000 11.002) 11.062 7.669 ( -3.719 0.000 0.673) 3.780 7.722 ( 1.889 0.000 -2.146) 2.859 8.158 ( -5.028 0.000 -15.687) 16.473 8.323 ( -2.464 0.000 6.940) 7.365 8.702 ( 2.807 0.000 -9.500) 9.906 8.772 ( -2.413 0.000 8.374) 8.715 8.883 ( 5.362 0.000 2.262) 5.819 8.909 ( -3.235 0.000 0.759) 3.323 8.923 ( 1.261 0.000 2.315) 2.636 9.075 ( 3.239 0.000 -5.682) 6.540 9.080 ( -2.413 0.000 -4.115) 4.771 9.326 ( 4.823 0.000 4.685) 6.724 9.488 ( -4.516 0.000 -3.477) 5.699 ======================= Grid point 176 (86/136) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.205 0.000 17.976) 17.977 1.539 ( 4.708 0.000 15.469) 16.169 1.834 ( -4.367 0.000 -9.706) 10.644 2.044 ( 1.656 0.000 -8.321) 8.484 2.159 ( 1.220 0.000 6.152) 6.271 2.429 ( 1.281 0.000 -2.463) 2.776 2.459 ( -0.449 0.000 2.793) 2.829 2.546 ( -0.640 0.000 4.526) 4.571 2.618 ( 3.220 0.000 6.779) 7.505 2.806 ( 4.263 0.000 2.791) 5.095 2.905 ( 0.958 0.000 -0.471) 1.067 3.035 ( -3.595 0.000 0.738) 3.670 3.087 ( 1.574 0.000 4.545) 4.810 3.216 ( 2.092 0.000 0.627) 2.184 3.339 ( -4.654 0.000 -5.454) 7.170 3.340 ( 5.760 0.000 -1.122) 5.869 3.504 ( 0.344 0.000 0.327) 0.475 3.555 ( -0.533 0.000 -2.349) 2.408 3.819 ( -4.103 0.000 0.754) 4.171 3.837 ( 0.752 0.000 2.332) 2.450 3.966 ( -2.920 0.000 -0.063) 2.921 4.266 ( -5.773 0.000 -8.103) 9.949 4.480 ( -2.188 0.000 -4.790) 5.266 4.643 ( 4.750 0.000 -2.758) 5.493 6.289 ( 0.804 0.000 3.546) 3.636 6.429 ( 2.107 0.000 -2.412) 3.203 6.836 ( -0.497 0.000 -5.364) 5.387 6.843 ( 2.117 0.000 0.266) 2.134 7.053 ( -5.217 0.000 10.777) 11.973 7.240 ( -6.050 0.000 -4.975) 7.833 7.291 ( -0.109 0.000 2.944) 2.946 7.336 ( 4.819 0.000 12.549) 13.443 7.344 ( -2.184 0.000 -6.353) 6.718 7.497 ( -2.961 0.000 -2.032) 3.591 7.600 ( -0.928 0.000 3.918) 4.026 7.669 ( 1.101 0.000 10.505) 10.562 7.809 ( 3.358 0.000 -2.114) 3.968 8.009 ( -3.678 0.000 -13.586) 14.075 8.306 ( -1.073 0.000 8.798) 8.863 8.721 ( 1.997 0.000 -11.208) 11.384 8.756 ( -1.426 0.000 8.600) 8.717 8.843 ( -3.698 0.000 -0.082) 3.699 8.972 ( 2.598 0.000 2.709) 3.754 8.996 ( 5.471 0.000 0.780) 5.526 9.018 ( -2.836 0.000 -4.265) 5.121 9.126 ( 3.123 0.000 -5.707) 6.506 9.376 ( -5.166 0.000 -4.844) 7.082 9.421 ( 3.316 0.000 4.427) 5.532 ======================= Grid point 177 (87/136) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 4.808 0.000 10.910) 11.923 1.633 ( 1.671 0.000 -4.043) 4.375 1.817 ( 4.383 0.000 7.552) 8.731 2.060 ( 1.310 0.000 -6.358) 6.491 2.207 ( 1.719 0.000 3.472) 3.874 2.430 ( -0.332 0.000 -2.912) 2.931 2.473 ( 0.767 0.000 4.935) 4.994 2.493 ( -2.906 0.000 -2.292) 3.701 2.787 ( 9.377 0.000 6.027) 11.147 2.793 ( -7.474 0.000 0.340) 7.482 2.914 ( 0.208 0.000 3.243) 3.250 2.968 ( -1.944 0.000 3.847) 4.310 3.150 ( 3.392 0.000 2.767) 4.377 3.240 ( -2.568 0.000 2.402) 3.517 3.277 ( 2.227 0.000 -1.560) 2.719 3.458 ( 5.868 0.000 -1.889) 6.165 3.496 ( -1.779 0.000 2.893) 3.396 3.520 ( -2.157 0.000 -4.048) 4.587 3.723 ( -5.588 0.000 2.575) 6.152 3.816 ( -4.783 0.000 7.442) 8.847 3.956 ( 4.206 0.000 -13.380) 14.026 4.099 ( -8.763 0.000 -5.854) 10.538 4.469 ( 2.210 0.000 -3.562) 4.192 4.697 ( 1.193 0.000 -1.043) 1.585 6.336 ( 2.753 0.000 4.154) 4.984 6.472 ( 2.421 0.000 -0.744) 2.533 6.821 ( 0.600 0.000 -6.633) 6.660 6.836 ( -3.749 0.000 2.627) 4.578 6.960 ( -5.051 0.000 10.099) 11.292 7.150 ( -1.881 0.000 -1.539) 2.430 7.281 ( -0.092 0.000 -0.173) 0.196 7.286 ( -1.660 0.000 -6.044) 6.268 7.435 ( 0.353 0.000 8.515) 8.523 7.439 ( -2.230 0.000 -0.989) 2.440 7.632 ( 3.138 0.000 4.989) 5.894 7.697 ( -1.396 0.000 11.292) 11.378 7.714 ( -7.549 0.000 -11.255) 13.552 8.048 ( 6.344 0.000 -4.773) 7.939 8.326 ( 0.691 0.000 9.101) 9.127 8.736 ( 1.966 0.000 -9.669) 9.867 8.740 ( -2.733 0.000 7.458) 7.943 8.766 ( -3.337 0.000 -1.057) 3.500 8.946 ( -3.615 0.000 -1.891) 4.080 9.020 ( 1.497 0.000 0.642) 1.629 9.094 ( 3.624 0.000 2.149) 4.213 9.162 ( 1.835 0.000 -4.967) 5.295 9.292 ( -0.659 0.000 -7.784) 7.812 9.472 ( 0.856 0.000 2.741) 2.872 ======================= Grid point 178 (88/136) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 9.522 0.000 3.252) 10.062 1.651 ( 2.185 0.000 -4.575) 5.070 1.948 ( 4.192 0.000 9.262) 10.166 2.043 ( -1.565 0.000 -2.884) 3.281 2.250 ( 2.189 0.000 3.361) 4.011 2.409 ( -1.224 0.000 -1.409) 1.867 2.445 ( -0.910 0.000 -2.947) 3.084 2.468 ( -4.850 0.000 3.209) 5.815 2.652 ( -1.374 0.000 2.582) 2.925 2.876 ( 0.112 0.000 -2.463) 2.466 2.925 ( -3.811 0.000 1.357) 4.045 3.035 ( 8.283 0.000 9.292) 12.448 3.200 ( 0.834 0.000 -3.757) 3.848 3.221 ( -1.876 0.000 6.406) 6.675 3.312 ( 1.614 0.000 0.900) 1.848 3.421 ( -5.008 0.000 -5.340) 7.321 3.467 ( -1.563 0.000 4.387) 4.657 3.574 ( 4.136 0.000 -0.396) 4.155 3.633 ( -3.530 0.000 4.176) 5.469 3.731 ( -4.096 0.000 4.309) 5.945 3.922 ( -6.903 0.000 -2.985) 7.521 4.019 ( 4.932 0.000 -15.203) 15.983 4.540 ( 5.223 0.000 -2.039) 5.607 4.688 ( -1.768 0.000 -0.564) 1.856 6.409 ( 3.117 0.000 4.661) 5.607 6.508 ( 0.595 0.000 2.925) 2.984 6.739 ( -5.277 0.000 2.406) 5.799 6.828 ( 1.940 0.000 -7.543) 7.788 6.909 ( -3.348 0.000 10.311) 10.841 7.156 ( 2.282 0.000 1.042) 2.509 7.249 ( -1.328 0.000 -2.908) 3.197 7.299 ( 2.213 0.000 -3.617) 4.240 7.397 ( -4.608 0.000 4.328) 6.322 7.421 ( 1.336 0.000 -3.623) 3.862 7.551 ( -5.376 0.000 -8.425) 9.995 7.648 ( -5.766 0.000 11.908) 13.230 7.725 ( 3.238 0.000 3.313) 4.633 8.146 ( 4.485 0.000 -6.380) 7.799 8.374 ( 1.764 0.000 8.846) 9.020 8.684 ( -4.407 0.000 6.636) 7.966 8.687 ( -2.764 0.000 -1.514) 3.152 8.781 ( 3.554 0.000 -7.497) 8.297 8.875 ( -3.209 0.000 1.395) 3.499 9.028 ( -0.499 0.000 -1.576) 1.653 9.141 ( 1.152 0.000 1.477) 1.873 9.173 ( 0.463 0.000 -4.129) 4.155 9.328 ( 5.196 0.000 -6.669) 8.454 9.468 ( -1.757 0.000 0.844) 1.949 ======================= Grid point 179 (89/136) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.134 0.000 1.016) 1.025 1.712 ( -6.332 0.000 -0.441) 6.347 1.979 ( -2.793 0.000 5.081) 5.798 2.076 ( 5.910 0.000 2.200) 6.306 2.318 ( 4.027 0.000 -0.404) 4.047 2.365 ( -1.485 0.000 1.858) 2.378 2.394 ( -0.874 0.000 -3.696) 3.798 2.453 ( 3.114 0.000 -1.945) 3.671 2.729 ( 2.064 0.000 7.169) 7.460 2.861 ( -1.560 0.000 1.438) 2.122 2.862 ( 0.234 0.000 2.410) 2.421 3.070 ( -5.554 0.000 -5.955) 8.143 3.147 ( -5.963 0.000 6.084) 8.519 3.216 ( -2.763 0.000 1.956) 3.386 3.328 ( 0.871 0.000 -0.288) 0.917 3.376 ( 3.710 0.000 2.409) 4.424 3.448 ( -1.907 0.000 3.906) 4.347 3.559 ( -4.311 0.000 9.026) 10.003 3.668 ( 3.889 0.000 -4.769) 6.154 3.697 ( -0.048 0.000 0.556) 0.558 3.866 ( 3.121 0.000 -4.178) 5.215 4.062 ( 2.961 0.000 -12.458) 12.805 4.630 ( -3.755 0.000 -1.565) 4.068 4.643 ( 5.125 0.000 -1.407) 5.314 6.468 ( 1.247 0.000 4.659) 4.823 6.505 ( -2.172 0.000 8.910) 9.171 6.658 ( -3.112 0.000 -2.789) 4.179 6.857 ( 2.897 0.000 -7.667) 8.195 6.878 ( -2.377 0.000 11.629) 11.869 7.195 ( -2.295 0.000 -0.627) 2.379 7.248 ( 5.351 0.000 0.425) 5.368 7.310 ( -4.007 0.000 1.996) 4.476 7.331 ( 0.609 0.000 -4.384) 4.426 7.415 ( -0.666 0.000 -9.626) 9.649 7.531 ( -7.097 0.000 7.280) 10.167 7.546 ( 6.022 0.000 1.445) 6.193 7.774 ( 0.641 0.000 5.206) 5.246 8.190 ( 2.023 0.000 -8.156) 8.403 8.437 ( 2.279 0.000 8.328) 8.634 8.612 ( -4.489 0.000 7.183) 8.470 8.651 ( -0.249 0.000 -2.564) 2.576 8.833 ( -1.500 0.000 3.116) 3.458 8.837 ( 3.482 0.000 -6.122) 7.043 8.998 ( -1.793 0.000 -2.037) 2.714 9.163 ( -0.364 0.000 -3.858) 3.875 9.168 ( 1.472 0.000 -0.154) 1.480 9.408 ( -4.267 0.000 -0.762) 4.335 9.425 ( 5.500 0.000 -4.022) 6.814 ======================= Grid point 180 (90/136) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -13.991 0.000 2.890) 14.287 1.660 ( -1.899 0.000 3.357) 3.857 1.911 ( -3.740 0.000 1.951) 4.219 2.169 ( 1.736 0.000 3.334) 3.759 2.356 ( 0.226 0.000 -5.398) 5.403 2.371 ( -0.297 0.000 -2.087) 2.108 2.401 ( 3.260 0.000 -0.663) 3.327 2.599 ( 10.071 0.000 0.839) 10.106 2.660 ( -6.869 0.000 5.511) 8.807 2.803 ( -4.641 0.000 1.529) 4.886 2.943 ( -5.683 0.000 -1.565) 5.894 2.982 ( 3.178 0.000 8.805) 9.361 3.061 ( -9.364 0.000 9.143) 13.087 3.098 ( 3.903 0.000 1.517) 4.188 3.371 ( -1.739 0.000 -2.185) 2.793 3.404 ( -3.464 0.000 4.998) 6.081 3.445 ( 2.705 0.000 -0.697) 2.793 3.544 ( 3.595 0.000 5.198) 6.320 3.703 ( 1.056 0.000 -6.596) 6.680 3.715 ( 1.397 0.000 -0.243) 1.418 4.001 ( 10.156 0.000 -5.706) 11.649 4.078 ( 1.505 0.000 -8.873) 9.000 4.538 ( -4.565 0.000 -3.592) 5.809 4.718 ( 2.525 0.000 -1.417) 2.896 6.470 ( -2.117 0.000 3.581) 4.160 6.489 ( -1.560 0.000 11.859) 11.961 6.587 ( -3.232 0.000 -4.411) 5.468 6.878 ( -0.452 0.000 11.097) 11.106 6.907 ( 3.674 0.000 -5.576) 6.678 7.139 ( -1.899 0.000 -2.774) 3.361 7.248 ( -7.443 0.000 -0.831) 7.489 7.259 ( -1.531 0.000 3.515) 3.834 7.381 ( 6.448 0.000 -2.812) 7.034 7.411 ( 2.973 0.000 -3.539) 4.622 7.485 ( 1.017 0.000 1.439) 1.762 7.693 ( 6.797 0.000 1.959) 7.073 7.786 ( -0.786 0.000 6.367) 6.416 8.203 ( 2.048 0.000 -9.219) 9.443 8.480 ( -1.705 0.000 6.826) 7.036 8.568 ( 0.076 0.000 8.069) 8.070 8.656 ( 1.219 0.000 -4.884) 5.034 8.829 ( -0.090 0.000 4.040) 4.041 8.868 ( 0.721 0.000 -4.798) 4.851 8.972 ( 0.293 0.000 -0.914) 0.960 9.143 ( -0.677 0.000 -3.194) 3.265 9.190 ( 0.661 0.000 -1.178) 1.351 9.300 ( -5.947 0.000 -2.061) 6.294 9.513 ( 4.043 0.000 -3.022) 5.047 ======================= Grid point 181 (91/136) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -10.115 0.000 10.328) 14.456 1.602 ( -6.732 0.000 11.545) 13.364 1.897 ( 3.871 0.000 -6.236) 7.340 2.166 ( -2.115 0.000 -1.386) 2.528 2.329 ( -1.080 0.000 -2.881) 3.077 2.358 ( -0.227 0.000 -2.903) 2.912 2.473 ( 3.732 0.000 -0.322) 3.746 2.549 ( -5.114 0.000 5.135) 7.248 2.681 ( -5.883 0.000 6.786) 8.981 2.756 ( -7.467 0.000 11.518) 13.726 2.815 ( 1.816 0.000 3.356) 3.816 2.998 ( 0.654 0.000 1.157) 1.329 2.998 ( 0.049 0.000 3.701) 3.701 3.271 ( 8.490 0.000 2.465) 8.840 3.289 ( -4.318 0.000 -0.907) 4.412 3.337 ( -4.202 0.000 3.951) 5.768 3.483 ( 1.703 0.000 -2.155) 2.747 3.669 ( 3.303 0.000 -6.078) 6.917 3.690 ( 2.978 0.000 -2.135) 3.664 3.740 ( 0.854 0.000 1.358) 1.604 4.081 ( 0.533 0.000 -5.212) 5.239 4.193 ( 10.096 0.000 -5.159) 11.338 4.448 ( -2.793 0.000 -6.278) 6.872 4.728 ( -1.135 0.000 -1.880) 2.196 6.412 ( -4.070 0.000 2.604) 4.832 6.491 ( -2.258 0.000 -0.151) 2.264 6.542 ( 1.269 0.000 7.511) 7.618 6.914 ( 1.317 0.000 10.790) 10.871 6.941 ( 0.043 0.000 -3.523) 3.523 7.110 ( -5.690 0.000 3.177) 6.516 7.151 ( 4.626 0.000 -2.771) 5.392 7.270 ( 1.160 0.000 5.042) 5.174 7.432 ( 2.716 0.000 -7.280) 7.770 7.521 ( 1.649 0.000 0.990) 1.923 7.522 ( 4.666 0.000 0.286) 4.675 7.777 ( -1.818 0.000 6.313) 6.569 7.783 ( 1.672 0.000 -1.188) 2.051 8.234 ( 3.257 0.000 -10.930) 11.405 8.422 ( -4.182 0.000 5.816) 7.163 8.644 ( 4.148 0.000 7.580) 8.641 8.659 ( 0.588 0.000 -6.710) 6.736 8.837 ( -0.494 0.000 4.632) 4.658 8.872 ( 1.184 0.000 -0.780) 1.418 8.995 ( 1.781 0.000 -2.053) 2.718 9.103 ( -4.294 0.000 -0.416) 4.314 9.181 ( -1.181 0.000 -2.235) 2.528 9.199 ( -1.657 0.000 -2.881) 3.323 9.563 ( 1.667 0.000 -2.938) 3.378 ======================= Grid point 182 (92/136) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.071 0.000 18.377) 18.408 1.485 ( -7.399 0.000 18.974) 20.366 1.980 ( 4.274 0.000 -11.611) 12.372 2.100 ( -2.595 0.000 -7.259) 7.709 2.294 ( -3.804 0.000 2.345) 4.469 2.358 ( 1.457 0.000 -2.834) 3.187 2.487 ( -2.113 0.000 2.498) 3.272 2.517 ( -10.617 0.000 28.348) 30.271 2.555 ( 4.718 0.000 1.117) 4.848 2.678 ( -1.486 0.000 -4.309) 4.559 2.868 ( 1.147 0.000 0.456) 1.235 3.024 ( 1.751 0.000 0.931) 1.983 3.038 ( 1.788 0.000 3.261) 3.718 3.228 ( -1.161 0.000 -1.030) 1.552 3.254 ( -4.138 0.000 3.212) 5.238 3.393 ( 3.235 0.000 -4.488) 5.532 3.515 ( 1.663 0.000 -0.937) 1.909 3.618 ( -2.581 0.000 -4.737) 5.395 3.762 ( 0.877 0.000 5.170) 5.243 3.812 ( 5.187 0.000 -1.571) 5.420 4.069 ( -1.008 0.000 -1.779) 2.045 4.359 ( 6.043 0.000 -0.139) 6.045 4.411 ( 2.554 0.000 -12.875) 13.126 4.668 ( -4.161 0.000 -2.822) 5.027 6.338 ( -3.680 0.000 2.525) 4.463 6.435 ( -1.836 0.000 -3.875) 4.288 6.644 ( 5.756 0.000 7.313) 9.306 6.907 ( -1.772 0.000 -3.610) 4.021 6.987 ( 2.876 0.000 11.806) 12.151 7.063 ( 0.311 0.000 6.508) 6.515 7.278 ( 7.281 0.000 -1.848) 7.512 7.313 ( 0.984 0.000 7.053) 7.121 7.455 ( 0.783 0.000 -6.340) 6.388 7.551 ( 0.911 0.000 4.429) 4.522 7.559 ( -0.450 0.000 -2.184) 2.229 7.740 ( -3.404 0.000 4.345) 5.520 7.759 ( -2.487 0.000 -4.837) 5.439 8.245 ( 0.239 0.000 -13.745) 13.747 8.363 ( -3.175 0.000 5.465) 6.321 8.667 ( 2.257 0.000 -6.788) 7.154 8.750 ( 4.305 0.000 6.255) 7.593 8.825 ( -1.620 0.000 5.270) 5.514 8.901 ( 1.158 0.000 0.741) 1.375 8.986 ( -4.836 0.000 0.042) 4.836 9.033 ( 1.912 0.000 -3.895) 4.339 9.137 ( -2.333 0.000 -3.168) 3.935 9.227 ( 3.660 0.000 1.695) 4.033 9.558 ( -1.519 0.000 -3.126) 3.475 ======================= Grid point 183 (93/136) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.914 8.406 16.944) 19.315 1.519 ( -1.554 6.744 19.330) 20.532 1.935 ( -2.069 0.108 -10.225) 10.433 2.132 ( -1.055 6.032 -9.974) 11.704 2.235 ( -3.180 3.517 4.522) 6.553 2.387 ( 2.288 -1.317 -3.508) 4.390 2.416 ( 0.428 -2.558 7.821) 8.240 2.565 ( -3.323 5.486 13.805) 15.222 2.601 ( 2.664 -2.906 -0.118) 3.944 2.670 ( 1.991 -1.185 -1.974) 3.044 2.845 ( 0.068 -3.898 -0.216) 3.904 2.978 ( 0.901 -5.025 0.109) 5.106 3.041 ( 1.708 -1.356 4.047) 4.598 3.210 ( 0.068 -0.577 1.321) 1.443 3.252 ( 0.373 -0.067 -1.548) 1.594 3.440 ( 1.037 2.711 -7.687) 8.217 3.521 ( -1.162 0.714 1.239) 1.843 3.582 ( -1.187 0.994 -1.868) 2.427 3.821 ( 4.726 1.532 4.682) 6.827 3.870 ( -3.202 0.697 0.847) 3.384 4.011 ( -2.711 -1.547 1.276) 3.372 4.326 ( -2.134 -3.542 -7.718) 8.756 4.510 ( 4.771 -0.515 -1.627) 5.067 4.591 ( -1.797 1.542 -5.268) 5.776 6.333 ( -2.397 3.799 3.725) 5.836 6.464 ( 0.925 4.614 -3.422) 5.819 6.820 ( 3.015 3.881 1.915) 5.274 6.871 ( -1.814 -1.443 0.794) 2.450 7.077 ( 5.684 2.926 6.551) 9.154 7.159 ( 6.344 -0.354 7.545) 9.864 7.297 ( -1.065 -1.496 -0.233) 1.851 7.376 ( -0.672 1.465 0.843) 1.819 7.399 ( -4.958 0.690 -0.936) 5.092 7.555 ( 0.697 0.845 -0.026) 1.096 7.625 ( -2.199 2.748 4.250) 5.518 7.681 ( -2.348 1.496 1.129) 3.005 7.755 ( 1.656 2.796 -2.063) 3.849 8.137 ( -5.018 -1.824 -14.576) 15.524 8.331 ( -2.285 0.630 5.901) 6.359 8.644 ( 1.458 -7.064 4.250) 8.372 8.732 ( -0.471 -1.334 -7.645) 7.775 8.793 ( 0.761 -5.012 4.270) 6.628 8.859 ( -1.383 -4.281 -0.886) 4.585 9.001 ( 2.472 1.448 -0.812) 2.978 9.030 ( 2.471 -0.288 -1.516) 2.913 9.143 ( -0.268 3.243 -2.783) 4.282 9.328 ( 3.697 0.344 3.810) 5.320 9.491 ( -3.997 0.085 -3.763) 5.490 ======================= Grid point 184 (94/136) ======================= q-point: ( 0.12 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.515 7.785 14.936) 16.851 1.588 ( 3.950 4.855 15.359) 16.585 1.853 ( -3.021 2.397 -9.639) 10.382 2.096 ( 0.198 4.676 -7.625) 8.947 2.222 ( 0.688 4.597 2.697) 5.374 2.409 ( 0.782 -2.488 -2.239) 3.437 2.437 ( 0.042 -1.120 4.652) 4.786 2.548 ( -2.210 -0.084 0.251) 2.226 2.645 ( 4.346 1.622 4.463) 6.437 2.754 ( 3.010 -4.697 2.071) 5.951 2.834 ( 0.013 -5.586 1.672) 5.831 3.005 ( 0.520 -3.144 0.706) 3.264 3.085 ( 1.807 0.088 5.044) 5.359 3.207 ( -0.299 -0.350 1.215) 1.299 3.248 ( -1.730 -4.021 -3.335) 5.503 3.435 ( 0.620 4.115 -1.223) 4.338 3.514 ( 0.220 0.802 0.139) 0.843 3.564 ( -0.365 0.615 -2.050) 2.172 3.780 ( -4.284 -1.529 -1.000) 4.658 3.907 ( 2.123 4.527 3.947) 6.370 3.963 ( -2.014 -0.067 0.473) 2.070 4.250 ( -3.829 -1.615 -7.084) 8.213 4.496 ( -2.085 1.303 -3.918) 4.625 4.635 ( 4.054 -0.616 -2.386) 4.744 6.317 ( -0.147 2.762 4.203) 5.031 6.492 ( 2.394 5.386 -2.361) 6.350 6.830 ( -1.788 -1.155 0.560) 2.201 6.859 ( -0.140 0.717 1.186) 1.393 7.149 ( -1.113 9.516 2.542) 9.912 7.228 ( -4.924 -0.928 -3.555) 6.144 7.275 ( 2.082 -3.266 -0.132) 3.875 7.303 ( -0.556 0.825 1.186) 1.549 7.381 ( 0.107 2.155 5.724) 6.117 7.544 ( -1.910 3.618 -0.244) 4.098 7.592 ( -0.442 -0.567 6.554) 6.594 7.675 ( 0.048 1.412 6.025) 6.188 7.831 ( 3.235 1.554 -0.899) 3.700 7.988 ( -4.141 -1.780 -12.954) 13.716 8.313 ( -1.086 0.463 7.653) 7.743 8.673 ( -0.582 -7.678 7.355) 10.649 8.719 ( 1.719 -0.205 -10.501) 10.643 8.808 ( -1.265 -3.287 0.008) 3.522 8.847 ( 1.335 -6.048 2.537) 6.693 8.998 ( -1.442 -2.077 -4.801) 5.426 9.105 ( 3.813 4.041 2.410) 6.056 9.138 ( 1.347 1.904 -6.196) 6.620 9.386 ( -4.785 0.629 -4.485) 6.588 9.410 ( 2.659 -0.973 3.943) 4.854 ======================= Grid point 185 (95/136) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 3.025 5.336 8.465) 10.454 1.707 ( 3.443 6.298 1.007) 7.248 1.816 ( 2.293 0.949 3.321) 4.146 2.090 ( 0.315 2.775 -6.147) 6.752 2.247 ( 0.789 3.134 2.873) 4.324 2.409 ( -0.318 -2.142 -0.809) 2.311 2.450 ( 0.099 -1.596 3.828) 4.148 2.496 ( -1.984 0.153 -2.723) 3.372 2.706 ( -6.241 -6.024 2.047) 8.912 2.784 ( 7.397 -1.754 -3.272) 8.276 2.886 ( 1.766 -5.261 4.508) 7.150 2.994 ( -0.696 2.116 4.295) 4.839 3.105 ( -3.986 -6.042 0.933) 7.298 3.169 ( -0.231 -2.991 3.223) 4.403 3.236 ( 1.419 -1.216 -1.146) 2.192 3.488 ( 1.153 -0.219 1.403) 1.829 3.498 ( 0.856 1.689 2.124) 2.845 3.554 ( 0.025 2.263 -3.425) 4.105 3.709 ( -2.972 0.228 1.866) 3.517 3.896 ( -4.121 6.053 7.871) 10.751 3.980 ( 4.246 2.675 -10.429) 11.574 4.138 ( -5.509 3.031 -5.961) 8.664 4.475 ( 1.241 0.573 -3.039) 3.333 4.684 ( 1.088 -1.316 -0.775) 1.876 6.347 ( 1.991 1.509 4.927) 5.524 6.535 ( 2.053 5.238 -0.653) 5.664 6.785 ( -3.239 -3.124 2.724) 5.261 6.843 ( -0.913 1.790 -1.710) 2.638 7.072 ( -5.133 7.283 2.261) 9.193 7.161 ( -1.139 2.111 -1.531) 2.846 7.259 ( -1.318 -1.832 -4.422) 4.964 7.307 ( 0.455 1.969 0.349) 2.051 7.415 ( 0.390 0.590 2.615) 2.709 7.516 ( -2.344 4.592 3.253) 6.096 7.627 ( 1.930 -0.919 3.373) 3.993 7.682 ( -2.219 0.028 11.310) 11.526 7.749 ( -5.084 2.868 -8.934) 10.672 8.035 ( 6.926 -1.318 -3.210) 7.746 8.329 ( 0.624 0.066 7.960) 7.984 8.656 ( -2.637 -6.364 4.977) 8.498 8.722 ( 0.701 -1.255 -8.071) 8.198 8.770 ( -2.592 -0.948 1.287) 3.045 8.896 ( 2.352 -7.499 0.995) 7.922 8.945 ( -1.911 -0.459 -3.475) 3.992 9.153 ( 1.234 -0.629 -3.998) 4.231 9.180 ( 3.002 3.964 -0.030) 4.973 9.294 ( -2.110 0.180 -6.842) 7.162 9.453 ( 0.605 -1.837 2.626) 3.261 ======================= Grid point 186 (96/136) ======================= q-point: ( 0.38 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 6.627 2.865 0.343) 7.228 1.751 ( 3.678 6.752 -1.438) 7.822 1.926 ( 4.388 -1.610 8.317) 9.541 2.056 ( -2.351 1.160 -2.714) 3.773 2.268 ( 0.732 1.557 3.215) 3.647 2.391 ( -1.687 -1.952 1.105) 2.806 2.445 ( -0.616 -0.165 -1.383) 1.523 2.458 ( -3.459 -0.470 -0.761) 3.573 2.583 ( -2.784 -5.015 3.491) 6.715 2.859 ( 0.626 -2.925 -3.456) 4.571 2.890 ( -1.769 -2.833 0.504) 3.378 2.983 ( -4.966 -11.341 1.719) 12.499 3.093 ( 6.895 -1.657 1.748) 7.304 3.168 ( -1.996 -5.299 1.961) 5.993 3.274 ( 2.323 -0.104 1.291) 2.660 3.445 ( -3.513 -0.056 2.964) 4.596 3.532 ( -0.641 4.140 -1.554) 4.469 3.590 ( 4.029 1.827 -0.092) 4.424 3.698 ( 1.736 4.782 2.820) 5.816 3.818 ( -5.102 7.914 5.536) 10.923 3.969 ( -4.915 4.788 -2.795) 7.409 4.080 ( 3.184 4.974 -11.622) 13.036 4.529 ( 4.434 -1.033 -1.510) 4.796 4.675 ( -1.672 -1.320 -0.548) 2.200 6.412 ( 2.833 0.800 5.827) 6.529 6.557 ( -0.375 3.667 3.379) 5.001 6.729 ( -2.459 -0.222 0.836) 2.607 6.825 ( -0.305 1.170 -3.919) 4.102 6.993 ( -3.751 5.244 5.140) 8.245 7.159 ( 1.183 0.169 0.729) 1.400 7.240 ( -0.041 -0.036 -2.588) 2.588 7.314 ( 0.292 0.464 -3.419) 3.463 7.431 ( 0.829 1.366 -1.163) 1.976 7.453 ( -2.750 5.093 1.560) 5.995 7.569 ( -4.043 1.960 -5.798) 7.335 7.626 ( -5.536 -1.993 10.055) 11.650 7.766 ( 3.229 4.324 4.214) 6.848 8.151 ( 5.259 0.308 -5.022) 7.278 8.373 ( 1.691 -0.301 7.686) 7.876 8.601 ( -3.684 -6.044 4.526) 8.402 8.691 ( -3.728 -3.085 1.661) 5.117 8.735 ( 0.881 -0.844 -5.376) 5.512 8.905 ( -0.755 -0.054 -1.670) 1.834 8.945 ( 1.699 -4.637 -1.670) 5.214 9.155 ( -0.477 -0.718 -1.234) 1.505 9.202 ( -0.128 2.717 -2.818) 3.917 9.305 ( 4.333 -1.974 -5.176) 7.034 9.448 ( -1.323 -1.905 0.347) 2.345 ======================= Grid point 187 (97/136) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.892 3.879 1.620) 4.298 1.765 ( -5.107 4.567 -0.738) 6.891 1.966 ( -2.810 -1.122 4.930) 5.784 2.092 ( 7.642 0.676 0.390) 7.681 2.301 ( 2.151 -1.306 1.069) 2.734 2.353 ( -1.047 -1.111 2.131) 2.621 2.394 ( -0.969 -0.119 -3.175) 3.321 2.454 ( 2.569 -0.142 -2.158) 3.358 2.604 ( -0.163 -8.846 7.029) 11.300 2.818 ( -2.284 -4.309 2.561) 5.508 2.867 ( 0.433 -2.685 -1.394) 3.057 2.889 ( -4.392 -8.414 -1.755) 9.652 3.102 ( -3.797 -4.330 2.266) 6.189 3.230 ( 2.436 -7.514 -1.048) 7.969 3.285 ( -2.415 3.504 3.896) 5.770 3.415 ( 2.802 1.338 -0.892) 3.231 3.525 ( -0.222 5.240 1.174) 5.374 3.651 ( 2.150 1.903 -0.602) 2.933 3.723 ( -4.709 9.901 5.839) 12.422 3.752 ( -0.074 6.170 1.918) 6.461 3.915 ( 2.965 4.950 -3.392) 6.693 4.113 ( 2.295 4.006 -9.820) 10.851 4.613 ( -0.466 -1.700 -0.888) 1.974 4.630 ( 1.751 -1.287 -1.641) 2.723 6.472 ( 1.059 0.912 7.230) 7.364 6.548 ( -1.198 3.428 7.156) 8.025 6.689 ( -1.747 2.707 -3.817) 4.995 6.805 ( -0.841 -1.144 -2.460) 2.840 6.950 ( -1.841 3.005 5.267) 6.337 7.213 ( 2.302 -0.475 1.921) 3.035 7.225 ( 0.253 0.355 -1.384) 1.451 7.289 ( -1.654 -2.025 -5.103) 5.734 7.369 ( -2.999 3.165 0.187) 4.364 7.492 ( 0.601 6.545 -5.665) 8.677 7.517 ( -4.295 -0.444 5.236) 6.787 7.572 ( 5.132 2.154 3.319) 6.480 7.816 ( 0.593 4.275 4.949) 6.566 8.206 ( 2.005 1.513 -7.591) 7.996 8.432 ( 2.312 -0.508 7.451) 7.818 8.548 ( -2.923 -5.353 5.270) 8.060 8.636 ( -1.635 -3.174 2.339) 4.268 8.747 ( 1.234 -2.977 -3.661) 4.877 8.888 ( -0.407 0.094 -3.157) 3.184 8.969 ( 1.146 -2.001 -2.125) 3.135 9.129 ( -1.805 -1.338 0.030) 2.247 9.191 ( -0.238 0.152 -3.623) 3.634 9.370 ( 0.255 -2.567 -0.788) 2.697 9.429 ( 2.180 -0.631 -3.762) 4.394 ======================= Grid point 188 (98/136) ======================= q-point: (-0.38 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -12.678 5.019 3.524) 14.084 1.723 ( -1.114 5.765 2.545) 6.399 1.906 ( -3.202 -0.363 2.390) 4.011 2.191 ( 1.222 1.806 1.827) 2.844 2.326 ( -0.104 -2.571 -3.039) 3.982 2.370 ( -0.280 -0.224 -0.792) 0.869 2.387 ( 2.739 -1.570 -1.739) 3.604 2.531 ( -4.738 -9.322 9.032) 13.818 2.595 ( 8.002 -1.263 -1.543) 8.247 2.778 ( -3.856 -5.218 -3.210) 7.239 2.877 ( 0.238 -0.156 4.236) 4.245 2.906 ( 6.257 -7.887 1.198) 10.138 3.051 ( -0.813 -2.891 2.646) 4.003 3.136 ( -7.137 4.136 6.307) 10.384 3.285 ( -1.578 -5.553 -1.308) 5.919 3.448 ( -2.621 2.801 3.154) 4.966 3.535 ( 1.642 4.700 -1.674) 5.253 3.648 ( -2.078 6.652 3.948) 8.010 3.690 ( 1.835 0.504 -4.736) 5.105 3.764 ( 1.620 5.849 3.226) 6.873 4.033 ( 7.461 3.692 -6.048) 10.290 4.125 ( 1.893 3.552 -6.305) 7.480 4.535 ( -4.135 -0.420 -3.369) 5.350 4.697 ( 2.416 -2.131 -0.848) 3.332 6.482 ( -1.722 1.800 8.126) 8.499 6.559 ( 0.326 5.750 7.524) 9.475 6.625 ( -3.475 3.126 -5.314) 7.077 6.796 ( 0.515 -4.400 1.659) 4.731 6.943 ( -0.257 0.917 2.583) 2.753 7.189 ( -1.731 2.794 -1.611) 3.661 7.215 ( -4.545 -0.990 0.258) 4.659 7.276 ( -0.184 0.477 3.987) 4.020 7.365 ( 3.819 -0.666 -4.197) 5.713 7.455 ( 1.355 2.485 0.687) 2.913 7.537 ( 2.368 5.539 -1.377) 6.179 7.718 ( 6.764 2.309 2.150) 7.464 7.823 ( -1.029 3.751 5.450) 6.695 8.211 ( 1.296 0.874 -8.998) 9.133 8.469 ( -2.500 -1.359 5.996) 6.637 8.532 ( 1.807 -2.761 7.319) 8.029 8.639 ( 1.255 -2.677 -1.390) 3.267 8.766 ( 1.159 -4.054 -0.689) 4.272 8.870 ( -0.360 -0.559 -3.517) 3.580 8.982 ( 0.716 -0.136 -1.807) 1.948 9.093 ( -1.701 -4.156 -0.547) 4.524 9.157 ( -2.744 -1.657 -2.084) 3.823 9.331 ( -1.901 1.471 -2.034) 3.149 9.499 ( 4.050 -1.360 -3.402) 5.462 ======================= Grid point 189 (99/136) ======================= q-point: (-0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -8.414 7.920 9.973) 15.264 1.673 ( -6.601 6.406 11.329) 14.593 1.903 ( 4.098 0.920 -5.518) 6.934 2.179 ( -1.357 0.899 -4.258) 4.558 2.308 ( -0.724 -1.721 -0.108) 1.871 2.354 ( -0.712 -0.575 -0.721) 1.165 2.442 ( -1.350 -5.318 5.517) 7.781 2.453 ( 0.306 -3.410 1.166) 3.617 2.699 ( -1.147 -0.453 -4.902) 5.055 2.753 ( 4.449 -3.740 0.523) 5.836 2.838 ( -8.158 4.211 14.874) 17.479 2.952 ( 0.665 -3.325 0.561) 3.437 3.049 ( -3.007 1.571 3.097) 4.594 3.195 ( 11.412 -4.601 2.178) 12.496 3.223 ( -2.825 -3.653 0.419) 4.637 3.368 ( -4.836 2.437 3.618) 6.513 3.544 ( -0.429 4.609 -2.596) 5.308 3.646 ( 0.762 -2.055 -2.530) 3.347 3.696 ( 0.247 1.414 -4.527) 4.749 3.832 ( 3.355 6.549 4.189) 8.467 4.076 ( -0.094 -0.327 -4.770) 4.782 4.230 ( 8.507 3.498 -5.512) 10.723 4.449 ( -3.228 0.042 -4.578) 5.602 4.709 ( -0.904 -1.866 -1.348) 2.473 6.447 ( -3.408 3.082 5.151) 6.903 6.538 ( -3.298 2.953 -4.870) 6.581 6.615 ( 3.313 7.719 8.906) 12.242 6.836 ( 2.467 -6.066 5.621) 8.630 6.938 ( -0.835 -0.136 0.322) 0.905 7.095 ( -4.622 -1.069 2.811) 5.514 7.212 ( 2.376 4.491 -0.255) 5.087 7.295 ( 1.176 2.243 5.891) 6.412 7.424 ( 3.338 -1.137 -6.226) 7.155 7.525 ( 3.426 0.330 -0.505) 3.479 7.582 ( 2.154 5.625 0.317) 6.032 7.800 ( -1.122 2.348 5.450) 6.039 7.811 ( 0.412 2.618 -1.307) 2.955 8.226 ( 2.502 -0.675 -10.914) 11.217 8.413 ( -3.594 -0.889 5.412) 6.558 8.597 ( 1.392 -3.072 4.106) 5.313 8.668 ( 2.886 -0.756 -1.623) 3.396 8.783 ( 0.293 -4.356 1.267) 4.546 8.877 ( 1.924 0.311 -0.622) 2.046 8.981 ( -0.894 -3.046 -3.267) 4.555 9.039 ( -3.485 -4.983 -0.362) 6.092 9.110 ( -0.344 -0.762 -0.024) 0.836 9.298 ( -1.029 3.956 -2.781) 4.944 9.552 ( 1.898 -1.175 -3.196) 3.898 ======================= Grid point 190 (100/136) ======================= q-point: (-0.12 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.377 9.559 16.101) 18.775 1.560 ( -7.047 6.790 17.656) 20.187 1.968 ( 2.018 -0.001 -8.834) 9.062 2.155 ( 1.161 3.880 -10.643) 11.387 2.289 ( -2.065 -0.306 1.989) 2.884 2.349 ( 0.912 -0.865 -0.126) 1.263 2.406 ( -1.634 -3.804 7.204) 8.308 2.518 ( 3.946 -3.283 0.985) 5.227 2.649 ( -5.479 5.364 6.899) 10.314 2.696 ( -5.362 3.170 6.348) 8.894 2.820 ( 2.262 -3.526 -0.158) 4.192 2.982 ( 0.754 -3.023 0.181) 3.121 3.007 ( -1.037 -3.318 3.511) 4.941 3.193 ( 0.360 -1.189 0.356) 1.292 3.284 ( -3.154 0.507 1.345) 3.466 3.403 ( 5.939 0.805 -1.968) 6.309 3.528 ( 0.074 1.391 -2.144) 2.557 3.622 ( -2.010 0.334 -3.360) 3.930 3.721 ( 3.374 -0.865 0.309) 3.497 3.888 ( 0.822 4.342 3.820) 5.841 4.054 ( -1.349 -1.464 -1.896) 2.749 4.373 ( 3.912 -2.830 -10.808) 11.837 4.394 ( 1.866 2.500 0.120) 3.122 4.661 ( -3.096 -0.665 -2.744) 4.190 6.386 ( -3.657 3.995 3.778) 6.604 6.478 ( -1.398 3.510 -4.300) 5.724 6.726 ( 5.146 7.109 5.733) 10.482 6.905 ( -1.591 -2.651 4.493) 5.454 6.935 ( 5.342 -1.953 3.885) 6.888 7.066 ( 0.815 0.310 5.830) 5.895 7.274 ( 3.082 1.001 0.243) 3.250 7.342 ( 1.589 2.257 6.940) 7.469 7.459 ( 1.011 -0.090 -5.316) 5.412 7.555 ( 0.088 -0.095 -1.934) 1.938 7.613 ( 0.837 5.261 2.096) 5.725 7.753 ( -4.043 1.389 3.659) 5.627 7.786 ( -2.082 2.510 -4.879) 5.869 8.226 ( -0.223 -1.707 -13.336) 13.446 8.365 ( -2.552 0.151 5.035) 5.647 8.613 ( 0.681 -4.849 1.420) 5.098 8.737 ( 2.865 -1.106 -2.125) 3.735 8.779 ( -0.879 -4.047 2.962) 5.092 8.903 ( -2.640 -5.392 -1.360) 6.155 8.939 ( 2.048 1.541 1.461) 2.950 9.013 ( 0.548 -1.891 -3.559) 4.068 9.133 ( 1.557 -0.143 1.827) 2.405 9.280 ( 0.363 3.711 -1.211) 3.921 9.552 ( -1.131 -0.679 -3.341) 3.592 ======================= Grid point 191 (101/136) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 2.498 11.834 10.544) 16.045 1.706 ( -0.722 11.128 14.915) 18.623 1.980 ( -1.084 4.063 -7.866) 8.919 2.245 ( 0.981 3.416 -10.092) 10.699 2.269 ( -0.727 -0.261 3.234) 3.325 2.324 ( 0.107 -4.504 0.086) 4.506 2.384 ( 2.660 -0.904 3.438) 4.440 2.513 ( 4.105 -4.974 3.284) 7.237 2.632 ( -4.013 -0.365 -1.572) 4.325 2.669 ( -0.913 0.540 -3.016) 3.197 2.746 ( -2.149 -4.241 2.816) 5.525 2.891 ( 1.269 -4.062 -2.546) 4.960 3.063 ( 1.959 2.866 4.883) 5.991 3.175 ( 0.353 -2.279 -0.301) 2.326 3.271 ( -1.638 3.994 2.723) 5.104 3.491 ( 1.657 1.874 -4.596) 5.233 3.540 ( -0.588 1.137 1.332) 1.848 3.609 ( -1.372 1.469 -1.670) 2.613 3.848 ( 6.002 0.781 1.336) 6.198 3.895 ( -5.566 1.664 2.345) 6.265 3.974 ( -0.913 -1.684 3.798) 4.254 4.219 ( -1.528 -6.627 -4.214) 8.001 4.524 ( 1.936 1.617 0.631) 2.600 4.611 ( -0.501 0.237 -3.851) 3.890 6.426 ( -2.697 4.991 4.885) 7.486 6.567 ( 1.896 5.101 -2.799) 6.120 6.782 ( -2.000 -6.170 6.880) 9.455 6.864 ( 2.263 -1.059 1.762) 3.058 7.153 ( 5.259 3.580 1.714) 6.589 7.174 ( 6.365 2.379 5.195) 8.554 7.300 ( -1.569 1.272 0.715) 2.143 7.398 ( -4.627 -0.317 -2.024) 5.061 7.457 ( 1.499 5.508 4.290) 7.141 7.575 ( 1.397 0.876 1.946) 2.551 7.698 ( -4.465 4.691 0.518) 6.497 7.731 ( -0.816 3.203 1.742) 3.736 7.823 ( 0.040 3.876 -5.289) 6.557 8.095 ( -4.552 -2.238 -13.413) 14.340 8.342 ( -2.377 0.367 5.569) 6.066 8.476 ( -1.190 -7.972 6.413) 10.301 8.671 ( 0.481 -5.997 0.802) 6.069 8.705 ( 1.328 -4.123 -3.544) 5.597 8.779 ( -0.162 -1.651 -6.369) 6.582 8.943 ( 0.267 -4.077 -6.432) 7.620 9.086 ( 4.034 3.035 4.288) 6.623 9.192 ( 1.839 1.087 1.318) 2.510 9.348 ( 0.690 1.765 0.176) 1.904 9.484 ( -2.952 -0.882 -4.233) 5.235 ======================= Grid point 192 (102/136) ======================= q-point: ( 0.12 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.779 11.034 8.424) 13.904 1.738 ( 0.559 10.107 12.974) 16.456 1.934 ( -1.022 5.131 -8.428) 9.920 2.206 ( -1.543 5.120 -5.237) 7.485 2.285 ( 1.128 0.947 -0.952) 1.754 2.336 ( 0.798 -4.507 0.277) 4.586 2.415 ( -0.147 -1.195 3.541) 3.740 2.549 ( -2.737 0.228 -3.420) 4.386 2.596 ( 2.745 -6.009 3.959) 7.702 2.665 ( -0.046 -3.859 -6.006) 7.139 2.728 ( 0.279 -3.938 4.473) 5.966 2.915 ( 1.409 -5.435 -1.750) 5.881 3.094 ( 0.101 -0.364 1.235) 1.291 3.151 ( -3.457 -3.688 -0.505) 5.080 3.266 ( 0.616 5.361 4.417) 6.973 3.487 ( -1.340 0.527 -0.846) 1.670 3.534 ( -0.378 1.162 0.321) 1.263 3.583 ( -0.877 1.627 0.368) 1.885 3.774 ( -3.305 1.345 0.296) 3.580 3.969 ( 3.354 1.429 -2.770) 4.579 4.000 ( 2.576 3.358 7.724) 8.808 4.195 ( -0.098 -3.886 -3.909) 5.513 4.523 ( -1.417 1.384 -1.633) 2.567 4.622 ( 1.826 -0.820 -1.761) 2.666 6.396 ( -1.377 4.721 4.786) 6.862 6.607 ( 2.261 5.055 -1.754) 5.809 6.748 ( -2.202 -4.742 4.977) 7.218 6.907 ( 1.021 1.560 1.611) 2.464 7.190 ( -1.906 -2.424 -3.161) 4.416 7.228 ( -2.418 -0.667 -5.124) 5.705 7.298 ( 1.008 2.407 2.784) 3.815 7.342 ( 0.185 2.625 4.988) 5.639 7.500 ( 2.156 9.303 1.181) 9.623 7.601 ( -1.601 2.058 6.935) 7.409 7.617 ( -1.622 4.109 1.295) 4.604 7.728 ( -0.516 3.411 3.563) 4.959 7.855 ( 3.743 0.627 -0.918) 3.905 7.953 ( -5.297 -1.231 -12.767) 13.877 8.315 ( -1.568 -0.380 6.322) 6.525 8.493 ( 0.985 -8.875 6.904) 11.287 8.688 ( 1.082 -4.155 -1.592) 4.579 8.726 ( 0.039 -5.702 2.082) 6.070 8.753 ( 0.351 -0.450 -8.237) 8.257 8.934 ( 0.265 -3.994 -6.360) 7.515 9.151 ( 1.125 1.919 1.353) 2.604 9.203 ( 0.917 2.906 -3.172) 4.398 9.375 ( -0.127 -1.332 2.022) 2.424 9.403 ( -2.761 -0.019 -3.421) 4.397 ======================= Grid point 193 (103/136) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -0.416 10.113 5.264) 11.408 1.830 ( 4.458 5.517 8.767) 11.277 1.901 ( -0.530 6.797 -6.068) 9.127 2.157 ( -2.369 3.143 -4.911) 6.294 2.299 ( 0.192 1.376 1.184) 1.825 2.349 ( -0.024 -3.695 1.586) 4.021 2.419 ( 0.039 -1.279 3.532) 3.756 2.505 ( -0.911 0.980 -5.441) 5.603 2.587 ( -4.275 -4.987 1.614) 6.764 2.687 ( 2.832 -8.339 1.094) 8.874 2.746 ( 0.853 -5.976 -4.150) 7.325 2.916 ( -2.585 -8.415 0.812) 8.841 3.038 ( -3.948 -0.496 -1.030) 4.110 3.099 ( -1.026 -3.623 0.271) 3.776 3.289 ( 0.591 4.383 2.660) 5.161 3.469 ( -1.303 -1.290 2.308) 2.948 3.532 ( 1.466 0.958 -0.294) 1.776 3.588 ( 1.347 0.921 -0.235) 1.649 3.763 ( 1.254 6.014 4.444) 7.583 4.018 ( 0.661 5.478 1.937) 5.848 4.056 ( 2.553 3.745 -0.882) 4.618 4.188 ( 0.173 1.139 -3.775) 3.946 4.492 ( -0.737 1.191 -1.929) 2.384 4.645 ( 0.459 -2.436 -0.361) 2.505 6.401 ( 0.673 3.556 5.448) 6.541 6.618 ( -1.307 0.415 1.938) 2.374 6.748 ( 1.566 1.846 1.005) 2.621 6.909 ( -0.897 4.008 0.475) 4.134 7.116 ( -3.244 -0.782 -2.868) 4.400 7.198 ( 1.134 -2.764 -5.344) 6.123 7.247 ( -5.492 1.892 0.563) 5.836 7.353 ( -1.273 0.987 1.082) 1.940 7.518 ( -0.432 9.740 0.781) 9.781 7.598 ( -1.961 3.272 2.510) 4.566 7.613 ( 0.638 0.633 7.455) 7.509 7.707 ( -3.830 2.290 2.967) 5.359 7.835 ( 0.084 5.243 -3.341) 6.218 7.995 ( 7.636 -2.650 -0.781) 8.121 8.316 ( 0.032 -1.329 6.336) 6.473 8.523 ( -0.480 -5.877 6.117) 8.496 8.678 ( -2.570 -3.522 -0.352) 4.374 8.711 ( -0.003 -5.438 -0.781) 5.494 8.779 ( 2.684 -2.135 -4.983) 6.049 8.919 ( 0.168 -2.319 -5.486) 5.958 9.148 ( -0.138 0.416 -4.057) 4.080 9.228 ( 1.696 0.760 -1.930) 2.680 9.301 ( -3.553 0.589 -3.639) 5.120 9.406 ( -0.090 -2.530 2.007) 3.231 ======================= Grid point 194 (104/136) ======================= q-point: ( 0.38 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 5.838 6.206 1.222) 8.607 1.887 ( 0.957 4.506 -1.334) 4.796 1.920 ( 1.456 2.986 5.142) 6.121 2.080 ( -4.229 0.878 -2.790) 5.142 2.300 ( -0.591 1.095 2.451) 2.748 2.333 ( -2.129 -3.465 4.218) 5.859 2.440 ( 1.015 -0.229 1.173) 1.568 2.457 ( -2.937 0.075 -3.954) 4.926 2.506 ( -3.169 -1.386 1.262) 3.682 2.690 ( -1.747 -11.467 0.776) 11.625 2.786 ( 2.844 -6.077 -6.344) 9.234 2.810 ( -4.999 -7.665 -0.692) 9.178 3.029 ( 1.435 -2.381 -0.305) 2.796 3.067 ( -1.919 -3.884 -0.067) 4.332 3.329 ( 3.204 3.386 2.000) 5.072 3.442 ( -2.349 -0.330 3.746) 4.434 3.571 ( 1.573 0.569 -1.646) 2.347 3.613 ( 1.350 -0.147 0.103) 1.362 3.849 ( 5.929 9.897 3.651) 12.101 3.992 ( -3.369 8.063 4.645) 9.896 4.086 ( -0.252 5.494 -2.198) 5.923 4.184 ( 0.862 4.494 -5.136) 6.879 4.501 ( 2.095 -1.507 -0.436) 2.617 4.633 ( -1.484 -2.799 -0.672) 3.238 6.448 ( 2.234 2.584 6.884) 7.685 6.596 ( -1.142 -0.396 4.665) 4.819 6.781 ( 0.876 5.469 -1.386) 5.710 6.880 ( -1.546 4.076 -2.936) 5.256 7.059 ( -3.039 1.011 0.571) 3.254 7.143 ( -3.478 -1.580 0.479) 3.850 7.230 ( 1.956 -2.146 -2.135) 3.604 7.305 ( -1.982 -1.553 -6.582) 7.047 7.494 ( -3.055 4.150 6.022) 7.926 7.568 ( -1.226 3.529 1.925) 4.203 7.605 ( -2.824 2.801 6.977) 8.031 7.640 ( -0.869 5.208 -3.566) 6.372 7.894 ( 3.571 7.485 3.966) 9.193 8.145 ( 7.112 -1.600 -1.306) 7.406 8.345 ( 1.286 -2.212 5.829) 6.365 8.490 ( -3.735 -3.143 4.516) 6.650 8.606 ( -4.436 -4.608 1.022) 6.477 8.709 ( 0.080 -3.717 -1.015) 3.854 8.820 ( 2.414 -3.211 -4.788) 6.250 8.925 ( 1.480 -0.994 -4.397) 4.744 9.136 ( -0.199 -0.684 -3.072) 3.153 9.229 ( -2.311 -1.015 -4.460) 5.124 9.269 ( 2.441 -0.318 -0.719) 2.564 9.396 ( -0.795 -2.996 -0.501) 3.140 ======================= Grid point 195 (105/136) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -2.118 6.377 2.097) 7.039 1.876 ( -3.032 5.960 -0.585) 6.712 1.940 ( -1.443 -1.213 3.159) 3.678 2.060 ( 7.486 -3.867 -2.010) 8.662 2.289 ( -1.313 0.214 4.991) 5.165 2.318 ( -0.044 -2.243 3.806) 4.418 2.385 ( -3.253 -0.890 0.583) 3.423 2.439 ( -3.343 -1.630 -1.103) 3.879 2.480 ( 1.786 -2.096 -0.352) 2.776 2.657 ( -0.886 -7.788 -1.453) 7.971 2.732 ( -0.555 -5.359 -0.664) 5.428 2.845 ( 2.927 -5.096 -4.782) 7.577 3.008 ( -2.639 -3.654 1.338) 4.702 3.083 ( 2.604 -4.980 -2.531) 6.164 3.350 ( -4.209 3.058 5.491) 7.564 3.444 ( 3.679 1.267 -0.226) 3.898 3.585 ( 0.470 1.167 -0.573) 1.382 3.645 ( 1.708 -1.413 -1.692) 2.789 3.902 ( -4.374 8.664 3.833) 10.435 3.988 ( 1.367 12.360 4.095) 13.092 4.058 ( 1.840 8.170 -1.695) 8.545 4.187 ( 0.242 2.888 -4.773) 5.584 4.560 ( 2.660 -3.415 0.163) 4.332 4.590 ( -1.676 -2.709 -1.767) 3.643 6.507 ( 1.310 2.463 8.984) 9.407 6.611 ( 1.441 1.875 5.880) 6.338 6.754 ( -2.751 3.938 -2.629) 5.476 6.834 ( -2.678 3.590 -5.891) 7.401 6.985 ( -3.621 0.671 3.795) 5.288 7.141 ( 2.360 -4.670 0.637) 5.271 7.223 ( -1.342 -2.048 -2.342) 3.388 7.284 ( 0.783 0.022 -6.613) 6.659 7.440 ( -3.509 4.013 5.691) 7.798 7.519 ( -3.709 0.952 7.240) 8.190 7.632 ( 2.360 4.801 0.861) 5.419 7.654 ( 4.381 7.107 -2.271) 8.653 7.950 ( 0.648 8.520 4.152) 9.500 8.243 ( 2.864 1.486 -5.132) 6.062 8.393 ( 2.034 -4.812 4.586) 6.952 8.442 ( -1.259 -2.394 6.193) 6.758 8.531 ( -2.987 -5.660 3.184) 7.148 8.707 ( 0.211 -2.818 -2.338) 3.668 8.839 ( 0.796 -2.870 -5.193) 5.986 8.944 ( 1.285 -1.219 -4.350) 4.697 9.110 ( -2.534 -0.465 0.460) 2.617 9.173 ( -2.232 -1.663 -3.269) 4.293 9.321 ( 2.055 -1.889 -0.810) 2.907 9.396 ( 2.257 -2.472 -3.909) 5.146 ======================= Grid point 196 (106/136) ======================= q-point: (-0.38 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -9.455 8.046 3.948) 13.028 1.868 ( 0.530 7.427 1.290) 7.557 1.907 ( -1.572 0.829 2.562) 3.118 2.199 ( 2.576 -3.426 -5.312) 6.826 2.275 ( -1.747 -1.613 9.084) 9.390 2.327 ( -0.905 -4.652 1.829) 5.080 2.338 ( 0.005 -2.628 4.004) 4.789 2.382 ( -1.410 -2.617 -1.390) 3.282 2.558 ( 6.966 -2.374 -3.087) 7.981 2.668 ( 1.438 -3.657 -2.315) 4.561 2.755 ( 3.112 -5.894 -1.813) 6.907 2.892 ( 3.024 -2.284 -1.872) 4.227 2.959 ( -2.479 -3.896 1.696) 4.920 3.119 ( 1.505 -4.911 -2.059) 5.534 3.273 ( -3.813 4.755 4.629) 7.653 3.489 ( -0.386 1.157 1.168) 1.689 3.587 ( 0.176 0.881 -1.863) 2.068 3.662 ( 0.228 -1.930 -2.726) 3.348 3.813 ( -4.952 8.463 3.579) 10.438 3.957 ( -1.797 10.441 5.848) 12.101 4.130 ( -0.641 3.915 -3.271) 5.141 4.207 ( 5.892 5.452 -4.086) 9.008 4.515 ( -3.353 -1.701 -2.506) 4.518 4.634 ( 2.459 -3.936 0.231) 4.647 6.536 ( -1.014 3.150 9.822) 10.364 6.654 ( -0.648 0.508 1.690) 1.880 6.707 ( 0.531 5.912 1.504) 6.123 6.746 ( -3.399 0.141 -3.089) 4.595 6.956 ( -0.688 0.834 2.029) 2.299 7.152 ( -3.508 -2.275 1.506) 4.444 7.234 ( 3.817 -2.072 -0.695) 4.398 7.286 ( 1.361 0.908 -3.734) 4.077 7.400 ( -1.479 3.997 4.310) 6.061 7.499 ( 0.549 2.110 3.270) 3.930 7.672 ( 2.123 6.476 -0.454) 6.830 7.776 ( 6.204 3.034 0.282) 6.912 7.943 ( -2.029 7.965 3.425) 8.904 8.238 ( -0.692 1.458 -7.655) 7.824 8.411 ( -1.356 -3.779 5.193) 6.564 8.493 ( 3.638 -1.279 4.952) 6.276 8.526 ( 1.263 -6.950 4.834) 8.560 8.709 ( 0.819 -2.521 -4.171) 4.942 8.835 ( 0.489 -2.601 -4.226) 4.987 8.938 ( -1.101 -3.153 -5.430) 6.374 9.046 ( -3.428 -0.461 1.411) 3.735 9.121 ( -2.331 -1.979 -1.278) 3.314 9.345 ( 1.257 0.291 -2.273) 2.614 9.459 ( 4.072 -2.529 -3.758) 6.092 ======================= Grid point 197 (107/136) ======================= q-point: (-0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -4.823 11.983 8.510) 15.468 1.823 ( -5.988 7.299 10.430) 14.068 1.952 ( 5.104 4.223 -4.098) 7.789 2.171 ( -0.681 -2.550 -6.491) 7.008 2.275 ( -0.617 -2.160 7.421) 7.754 2.315 ( -0.657 -2.288 2.533) 3.476 2.363 ( 0.011 -1.618 -1.494) 2.202 2.375 ( 1.693 -4.713 1.025) 5.112 2.672 ( 1.884 -1.778 -5.220) 5.827 2.687 ( 3.594 -2.196 -1.301) 4.408 2.803 ( 0.025 -6.341 0.463) 6.358 2.924 ( -0.527 -1.068 1.603) 1.997 2.968 ( 2.876 -5.054 -0.285) 5.822 3.146 ( 1.725 -3.694 -1.797) 4.456 3.252 ( 1.944 6.648 4.932) 8.503 3.433 ( -4.851 3.179 4.121) 7.115 3.594 ( 1.065 -0.017 -3.551) 3.708 3.635 ( -2.071 0.207 -1.342) 2.477 3.747 ( -1.958 4.847 0.467) 5.248 3.962 ( -0.088 5.622 6.017) 8.235 4.073 ( -2.846 0.393 -2.610) 3.882 4.310 ( 3.746 2.859 -5.775) 7.454 4.448 ( -2.159 0.337 -0.804) 2.328 4.658 ( 0.023 -2.991 -0.467) 3.027 6.513 ( -2.995 2.788 6.586) 7.754 6.603 ( -2.552 3.510 -3.296) 5.450 6.714 ( 0.836 -5.213 3.648) 6.417 6.787 ( 3.794 6.103 7.273) 10.224 6.948 ( -0.337 2.238 -0.235) 2.276 7.086 ( -2.311 0.838 2.201) 3.300 7.281 ( 1.489 1.541 0.523) 2.206 7.346 ( 3.254 0.484 4.700) 5.737 7.406 ( 1.733 1.711 -1.500) 2.861 7.537 ( 1.903 0.716 0.656) 2.137 7.713 ( 1.845 6.384 0.012) 6.645 7.855 ( 0.753 2.371 -0.031) 2.488 7.897 ( -2.669 5.967 0.330) 6.545 8.208 ( 0.178 -1.218 -9.813) 9.889 8.391 ( -1.707 -1.002 4.869) 5.256 8.534 ( -1.111 -3.218 4.940) 6.000 8.598 ( 3.900 -5.221 3.204) 7.262 8.715 ( 0.991 -2.488 -6.123) 6.683 8.853 ( -0.531 -5.628 -3.294) 6.543 8.879 ( 0.119 -1.361 -3.386) 3.651 9.002 ( -1.433 -0.348 1.019) 1.793 9.092 ( -0.177 -1.287 0.874) 1.566 9.359 ( 0.583 2.402 -2.808) 3.740 9.516 ( 2.361 -2.303 -3.523) 4.826 ======================= Grid point 198 (108/136) ======================= q-point: (-0.12 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 1.858 13.666 11.466) 17.936 1.732 ( -5.451 9.488 13.977) 17.751 2.005 ( 0.798 3.673 -6.143) 7.201 2.197 ( 4.829 -1.236 -8.962) 10.255 2.281 ( -0.368 -1.732 3.468) 3.894 2.323 ( 0.867 -1.872 4.257) 4.731 2.344 ( -1.076 -0.842 -0.955) 1.666 2.433 ( 3.330 -4.629 2.166) 6.100 2.667 ( -0.045 -0.298 -5.176) 5.185 2.733 ( -0.972 -2.190 -2.210) 3.259 2.771 ( -1.907 -2.699 3.913) 5.122 2.898 ( -1.748 -4.544 -1.796) 5.190 3.010 ( 1.753 3.092 5.359) 6.431 3.162 ( 0.873 -1.869 -1.111) 2.344 3.302 ( -2.093 3.328 4.125) 5.698 3.435 ( 5.609 2.000 0.096) 5.955 3.558 ( -2.475 1.586 -1.632) 3.363 3.630 ( 0.519 0.363 -2.041) 2.137 3.740 ( 2.049 2.332 -0.061) 3.105 3.962 ( -1.619 2.298 6.882) 7.434 4.017 ( -2.820 -1.383 -2.007) 3.727 4.284 ( -3.325 -5.523 -5.082) 8.209 4.467 ( 3.054 4.006 -0.004) 5.037 4.640 ( -1.229 -1.407 -2.021) 2.752 6.469 ( -2.850 3.687 5.308) 7.063 6.560 ( -0.615 4.652 -3.226) 5.694 6.761 ( 1.984 -6.328 5.900) 8.876 6.844 ( -0.426 -1.386 5.449) 5.639 6.999 ( 6.618 7.796 1.771) 10.378 7.090 ( 1.787 2.329 3.405) 4.496 7.308 ( 0.533 1.581 2.178) 2.744 7.408 ( 1.457 3.162 9.247) 9.880 7.443 ( 1.733 -0.517 -5.524) 5.813 7.558 ( 0.342 0.324 -0.247) 0.532 7.731 ( -0.068 5.737 -0.616) 5.771 7.798 ( -4.800 2.960 2.411) 6.133 7.858 ( -1.379 4.521 -6.171) 7.773 8.181 ( -0.845 -2.790 -12.185) 12.529 8.370 ( -1.751 0.441 4.949) 5.268 8.502 ( -2.568 -5.231 4.804) 7.552 8.658 ( 1.068 -5.998 3.787) 7.173 8.707 ( -0.206 -4.658 -7.015) 8.423 8.795 ( -0.596 -2.473 -6.483) 6.964 8.944 ( 2.414 -3.476 -3.747) 5.653 9.000 ( 2.019 2.396 3.455) 4.664 9.126 ( 2.868 -0.670 4.129) 5.072 9.353 ( -0.338 3.414 -2.647) 4.333 9.528 ( -0.324 -1.745 -3.707) 4.110 ======================= Grid point 199 (109/136) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.948 10.570 5.516) 11.961 1.929 ( 1.187 8.280 6.403) 10.533 2.066 ( -0.054 2.899 -2.760) 4.003 2.179 ( 1.663 -7.142 -0.608) 7.358 2.219 ( 1.901 -1.639 4.294) 4.974 2.275 ( 0.301 -3.696 -2.074) 4.249 2.381 ( 0.709 1.240 3.839) 4.096 2.428 ( 1.649 -3.228 4.175) 5.529 2.640 ( -1.888 1.048 -5.040) 5.483 2.654 ( -1.322 -0.020 -6.074) 6.216 2.709 ( -0.927 0.637 -1.769) 2.096 2.790 ( 0.509 -5.633 -4.589) 7.283 3.095 ( 0.325 0.971 0.166) 1.037 3.127 ( -0.181 -2.186 -1.366) 2.584 3.429 ( -2.051 8.095 2.409) 8.691 3.508 ( 0.355 -0.551 -2.488) 2.573 3.570 ( -0.035 2.107 1.257) 2.454 3.618 ( -0.721 -1.252 -0.838) 1.670 3.864 ( 3.093 1.291 1.417) 3.639 3.900 ( -0.858 -1.588 0.421) 1.854 3.979 ( -0.877 2.804 6.811) 7.418 4.077 ( -1.728 -6.584 1.987) 7.091 4.564 ( 0.355 2.061 0.487) 2.148 4.599 ( -0.047 -1.300 -1.288) 1.831 6.529 ( -2.035 5.255 6.047) 8.266 6.639 ( -1.578 -4.106 4.342) 6.180 6.684 ( 2.374 3.268 1.706) 4.385 6.789 ( 2.943 -5.221 0.340) 6.003 7.205 ( 2.662 2.144 -0.755) 3.500 7.228 ( 3.693 0.707 -0.063) 3.760 7.337 ( -1.802 2.515 5.567) 6.369 7.381 ( -2.742 -1.466 5.138) 6.005 7.547 ( 1.767 2.820 2.829) 4.368 7.580 ( 1.493 -0.582 2.787) 3.215 7.793 ( -1.153 2.431 -0.416) 2.723 7.797 ( -1.491 2.975 0.319) 3.343 7.919 ( -2.064 6.028 -8.356) 10.509 8.036 ( -3.063 -4.163 -10.623) 11.813 8.345 ( -3.512 -0.177 5.574) 6.590 8.361 ( -3.129 -2.570 4.930) 6.380 8.569 ( 1.453 -2.648 0.011) 3.020 8.597 ( 1.707 -4.746 -0.862) 5.116 8.795 ( 0.378 2.273 -9.269) 9.552 8.859 ( 0.335 -3.866 -8.092) 8.974 9.143 ( 3.527 2.538 5.014) 6.635 9.185 ( 3.211 -1.459 4.535) 5.745 9.398 ( -1.259 2.873 -3.279) 4.538 9.452 ( -2.042 -2.245 -4.290) 5.255 ======================= Grid point 200 (110/136) ======================= q-point: ( 0.12 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.501 8.947 3.964) 9.901 1.961 ( -0.075 7.270 4.825) 8.726 2.040 ( -1.789 6.397 -4.102) 7.807 2.211 ( 0.825 -6.760 -1.770) 7.037 2.255 ( 0.477 -1.304 0.532) 1.487 2.268 ( 0.446 -2.706 -0.550) 2.797 2.394 ( -0.135 0.256 5.486) 5.494 2.451 ( -0.171 -5.490 5.419) 7.716 2.595 ( -0.548 2.473 -5.404) 5.968 2.633 ( -0.119 0.553 -6.062) 6.088 2.674 ( -2.144 0.157 -1.517) 2.631 2.784 ( -0.493 -7.193 -3.371) 7.959 3.079 ( -1.703 -0.337 -0.435) 1.789 3.094 ( -2.861 -1.815 -0.749) 3.470 3.386 ( -1.482 5.070 1.284) 5.436 3.462 ( -2.523 -2.566 -1.122) 3.769 3.565 ( -1.690 1.880 1.056) 2.740 3.598 ( -1.887 -0.826 0.885) 2.242 3.863 ( 1.585 7.114 2.343) 7.655 3.982 ( 5.480 -2.121 -0.977) 5.957 4.046 ( 3.603 1.698 5.163) 6.521 4.101 ( 2.948 -4.366 2.774) 5.954 4.558 ( -0.906 1.982 -0.493) 2.234 4.597 ( -0.018 -1.674 -0.845) 1.876 6.498 ( -2.150 5.190 5.023) 7.536 6.603 ( -2.829 -4.861 4.533) 7.223 6.756 ( 4.398 5.223 -0.045) 6.829 6.868 ( 4.276 -4.833 0.688) 6.489 7.181 ( -3.765 1.235 -3.387) 5.213 7.211 ( -3.751 -1.270 -4.760) 6.192 7.345 ( -0.116 2.277 4.022) 4.624 7.370 ( -0.308 0.105 6.476) 6.484 7.596 ( 1.777 1.996 5.920) 6.495 7.620 ( 0.731 -0.342 5.960) 6.014 7.775 ( -0.309 4.931 -2.084) 5.362 7.810 ( 1.294 4.730 3.474) 6.009 7.851 ( -1.590 1.014 -7.366) 7.603 7.938 ( -3.494 -1.630 -8.841) 9.645 8.303 ( -1.614 -0.015 5.442) 5.676 8.351 ( 0.936 -4.644 6.236) 7.831 8.604 ( 1.348 -2.429 1.166) 3.013 8.622 ( 0.118 -3.797 2.310) 4.446 8.780 ( 0.892 2.520 -9.968) 10.321 8.848 ( 0.877 -4.077 -8.480) 9.449 9.195 ( 0.366 2.218 1.796) 2.878 9.229 ( 0.541 -0.611 0.113) 0.823 9.365 ( -1.465 0.733 -1.026) 1.933 9.390 ( -2.552 -1.204 -3.530) 4.519 ======================= Grid point 201 (111/136) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -2.732 9.881 2.710) 10.604 1.955 ( -0.081 6.000 3.870) 7.140 2.009 ( 0.106 3.300 -5.124) 6.096 2.153 ( -4.278 -6.006 -4.030) 8.404 2.276 ( 0.762 -1.629 2.480) 3.064 2.291 ( 0.825 -1.936 1.028) 2.343 2.413 ( 0.637 1.051 5.630) 5.763 2.473 ( 1.070 -4.969 4.179) 6.580 2.573 ( -1.458 3.936 -6.142) 7.439 2.587 ( -2.915 2.003 -0.587) 3.585 2.643 ( 0.318 -4.388 -7.184) 8.425 2.736 ( -3.823 -8.980 -1.928) 9.949 3.031 ( -2.146 -0.038 -1.006) 2.370 3.045 ( -1.734 -1.560 -0.043) 2.333 3.368 ( -0.661 3.403 1.401) 3.739 3.430 ( -1.037 -2.598 1.567) 3.207 3.550 ( 0.772 1.166 -0.358) 1.444 3.579 ( 0.346 -1.426 0.185) 1.479 3.939 ( 4.733 9.503 3.254) 11.104 4.079 ( 3.969 -2.783 -0.662) 4.893 4.113 ( 2.430 3.731 2.569) 5.141 4.171 ( 2.446 -2.262 3.308) 4.696 4.531 ( -1.460 2.623 -1.313) 3.276 4.589 ( -0.649 -2.942 -0.622) 3.076 6.482 ( -0.525 4.178 5.085) 6.602 6.565 ( -1.793 -3.907 4.327) 6.099 6.845 ( 4.349 5.918 -0.799) 7.388 6.945 ( 2.946 -2.313 1.251) 3.949 7.096 ( -3.438 0.713 -3.621) 5.044 7.140 ( -1.384 -2.649 -3.593) 4.674 7.290 ( -5.449 2.757 -0.824) 6.162 7.343 ( -3.739 -1.825 -0.202) 4.165 7.608 ( -3.378 1.087 9.088) 9.756 7.618 ( -2.012 0.130 8.306) 8.548 7.760 ( -0.284 7.094 -6.786) 9.822 7.770 ( -2.554 3.581 -3.102) 5.382 7.909 ( 4.071 0.377 0.315) 4.100 7.933 ( 5.456 -2.317 3.707) 6.991 8.317 ( 1.458 2.857 5.716) 6.555 8.417 ( 3.162 -5.369 6.854) 9.263 8.601 ( -2.679 -2.642 1.470) 4.039 8.608 ( -1.524 -3.312 1.222) 3.845 8.789 ( 2.385 2.293 -8.841) 9.440 8.854 ( 1.832 -3.685 -7.705) 8.735 9.173 ( -1.503 1.920 -3.423) 4.203 9.215 ( -1.230 -1.815 -3.562) 4.183 9.322 ( -2.088 1.465 -0.574) 2.615 9.358 ( -1.104 -2.071 0.539) 2.408 ======================= Grid point 202 (112/136) ======================= q-point: ( 0.38 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.351 5.724 1.732) 5.990 1.945 ( -1.960 0.971 2.289) 3.167 2.000 ( -0.273 3.294 -3.187) 4.591 2.072 ( -2.869 -2.381 -3.448) 5.078 2.276 ( -1.378 -0.812 5.297) 5.534 2.297 ( -0.667 -1.446 2.917) 3.323 2.436 ( -0.367 0.452 4.696) 4.732 2.463 ( -3.744 -0.710 1.745) 4.191 2.530 ( -3.142 0.489 -0.306) 3.195 2.545 ( 2.065 2.272 -6.457) 7.150 2.637 ( -1.125 -7.597 -3.315) 8.365 2.658 ( 0.004 -6.402 -6.735) 9.292 3.007 ( -0.569 -0.167 -0.278) 0.655 3.017 ( -0.749 -1.228 -0.595) 1.556 3.388 ( 2.288 2.454 1.650) 3.739 3.427 ( -0.010 -1.287 2.967) 3.234 3.577 ( 1.451 0.472 -1.015) 1.833 3.596 ( 0.867 -1.201 0.057) 1.482 4.056 ( 5.990 9.117 1.921) 11.077 4.116 ( -0.351 3.457 2.274) 4.153 4.160 ( 1.250 1.710 0.668) 2.221 4.213 ( 1.962 -2.580 1.318) 3.499 4.498 ( -1.316 2.012 -0.749) 2.518 4.565 ( -1.625 -3.741 -1.062) 4.215 6.508 ( 1.600 3.086 6.576) 7.438 6.564 ( 0.623 -2.327 5.328) 5.847 6.907 ( 1.559 6.119 -1.283) 6.443 6.977 ( -0.877 4.152 -0.023) 4.243 7.027 ( -1.812 -2.683 -3.627) 4.862 7.099 ( -5.490 -4.226 -2.101) 7.240 7.196 ( -0.393 1.121 -2.522) 2.788 7.252 ( -2.779 -3.294 -5.311) 6.839 7.559 ( -3.630 2.073 9.627) 10.495 7.580 ( -3.617 -0.162 9.859) 10.503 7.718 ( -1.009 5.060 -2.319) 5.656 7.751 ( 0.381 3.191 -4.768) 5.750 8.014 ( 5.398 3.277 3.781) 7.360 8.073 ( 6.683 -4.070 4.629) 9.091 8.371 ( 1.969 5.721 4.320) 7.434 8.464 ( -1.128 -0.754 5.340) 5.509 8.524 ( -5.102 -2.685 0.150) 5.767 8.574 ( -0.825 -7.741 1.215) 7.879 8.819 ( 2.470 2.187 -7.795) 8.465 8.880 ( 2.357 -3.162 -6.823) 7.881 9.141 ( -0.742 1.251 -3.231) 3.543 9.182 ( -1.097 -2.583 -3.632) 4.590 9.290 ( -0.724 1.719 -0.520) 1.937 9.336 ( -0.899 -2.749 -0.865) 3.019 ======================= Grid point 203 (113/136) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -1.239 0.825 1.672) 2.239 1.931 ( 2.656 0.057 1.215) 2.921 1.978 ( -1.780 2.618 -0.354) 3.186 2.003 ( -1.905 0.401 -1.971) 2.770 2.272 ( -0.522 -0.448 6.545) 6.581 2.293 ( -0.032 -1.357 4.523) 4.722 2.372 ( -4.997 0.408 2.839) 5.762 2.402 ( -4.348 -1.884 0.968) 4.836 2.490 ( 0.926 3.071 -4.208) 5.291 2.580 ( 2.480 -2.107 -3.644) 4.885 2.629 ( 1.821 -3.238 -3.033) 4.796 2.687 ( 3.031 -7.067 -6.204) 9.880 2.990 ( -0.929 0.814 0.242) 1.259 3.019 ( 0.820 -2.027 -1.375) 2.583 3.413 ( -1.511 2.988 3.684) 4.978 3.454 ( 2.281 -0.674 0.992) 2.577 3.594 ( 0.634 0.295 -0.909) 1.147 3.612 ( 0.957 -1.491 -1.078) 2.074 4.061 ( -4.206 6.416 3.841) 8.579 4.141 ( -3.024 -0.442 2.417) 3.896 4.205 ( 7.038 7.123 -1.031) 10.067 4.253 ( 0.903 3.119 -1.212) 3.466 4.492 ( 1.152 -2.101 0.433) 2.435 4.521 ( -2.381 -3.716 -1.058) 4.538 6.565 ( 1.686 2.930 8.812) 9.438 6.613 ( 2.174 -1.443 6.967) 7.439 6.852 ( -5.456 5.057 -3.419) 8.187 6.904 ( -5.727 1.612 -6.798) 9.034 6.986 ( -1.740 0.211 2.142) 2.768 7.041 ( 1.985 -4.623 0.479) 5.054 7.203 ( 0.943 0.684 -3.391) 3.585 7.247 ( 2.066 -2.909 -6.058) 7.031 7.514 ( -3.236 2.728 8.973) 9.921 7.539 ( -2.691 0.272 9.149) 9.541 7.726 ( 2.190 4.171 -0.462) 4.733 7.761 ( 1.804 1.891 -2.785) 3.820 8.117 ( 3.170 6.336 4.193) 8.232 8.209 ( 5.519 -4.081 4.438) 8.174 8.364 ( -2.777 2.654 -3.022) 4.888 8.413 ( -4.632 -1.969 -0.129) 5.035 8.464 ( 0.711 1.228 6.964) 7.107 8.586 ( 0.705 -8.155 3.592) 8.939 8.836 ( 1.118 2.240 -8.558) 8.916 8.898 ( 1.007 -3.181 -7.300) 8.027 9.113 ( -2.339 0.714 -0.092) 2.448 9.137 ( -2.759 -1.616 -1.516) 3.539 9.306 ( 2.449 0.526 -2.025) 3.221 9.340 ( 2.440 -2.598 -3.365) 4.902 ======================= Grid point 204 (114/136) ======================= q-point: (-0.38 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -5.202 7.782 3.608) 10.031 1.945 ( 0.221 1.570 2.171) 2.688 1.959 ( 0.811 1.199 0.625) 1.577 2.065 ( 5.297 -7.189 -1.236) 9.015 2.253 ( -5.422 0.310 7.135) 8.967 2.279 ( -2.508 -1.380 3.317) 4.381 2.328 ( 0.559 0.802 2.436) 2.625 2.341 ( -0.691 -1.127 0.457) 1.399 2.540 ( 5.316 2.189 -4.816) 7.499 2.638 ( 4.053 -2.562 -3.282) 5.811 2.665 ( 2.327 -1.705 -3.998) 4.930 2.731 ( 2.659 -7.760 -4.513) 9.363 2.977 ( -0.257 2.492 0.323) 2.526 3.036 ( 1.209 -3.324 -1.447) 3.822 3.386 ( -1.469 5.659 2.766) 6.468 3.479 ( -0.118 -2.793 0.952) 2.953 3.595 ( -0.200 0.676 -1.865) 1.994 3.622 ( 0.141 -1.757 -1.782) 2.506 3.974 ( -5.159 6.820 3.752) 9.338 4.068 ( -4.628 -1.386 4.014) 6.282 4.226 ( -3.053 7.316 -0.416) 7.939 4.314 ( 3.033 1.689 -2.806) 4.464 4.477 ( -0.905 -0.261 -0.048) 0.944 4.543 ( 2.970 -4.770 0.352) 5.630 6.596 ( -1.366 2.482 9.044) 9.478 6.634 ( -2.312 -1.426 4.510) 5.265 6.770 ( -3.734 1.570 -3.345) 5.253 6.787 ( -1.053 0.934 0.827) 1.632 6.998 ( 1.718 3.760 0.689) 4.191 7.089 ( 1.920 -4.303 1.374) 4.908 7.223 ( 2.632 1.481 -3.859) 4.900 7.267 ( 1.636 -2.147 -4.680) 5.402 7.483 ( -1.851 3.526 7.981) 8.919 7.525 ( -0.789 -0.219 6.891) 6.939 7.779 ( 2.707 3.851 -0.501) 4.734 7.817 ( 4.017 0.323 -1.237) 4.216 8.122 ( -3.234 8.600 0.792) 9.222 8.242 ( -3.118 -2.282 -3.880) 5.476 8.353 ( 1.399 -1.175 4.493) 4.850 8.385 ( 2.687 -4.674 3.703) 6.541 8.513 ( 2.218 2.718 4.668) 5.840 8.614 ( 1.370 -6.276 1.843) 6.683 8.820 ( -0.274 1.644 -8.890) 9.045 8.876 ( -1.273 -3.171 -7.949) 8.653 9.051 ( -3.102 0.871 0.589) 3.275 9.080 ( -2.433 -1.878 -0.169) 3.078 9.360 ( 3.268 1.404 -2.774) 4.511 9.403 ( 4.016 -2.689 -3.424) 5.923 ======================= Grid point 205 (115/136) ======================= q-point: (-0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -1.470 11.125 6.059) 12.753 1.930 ( -1.390 0.447 5.502) 5.692 2.037 ( 5.063 3.081 0.370) 5.938 2.114 ( -1.572 -0.542 -1.977) 2.584 2.194 ( -1.031 -4.473 8.182) 9.382 2.239 ( -0.273 -5.362 -1.147) 5.490 2.334 ( 0.104 1.018 1.504) 1.819 2.352 ( 0.457 -0.246 1.526) 1.612 2.648 ( 5.135 1.212 -4.737) 7.091 2.683 ( 1.797 1.388 -3.757) 4.390 2.705 ( 1.713 -3.194 -3.730) 5.201 2.775 ( 2.664 -7.972 -3.596) 9.142 2.995 ( 2.310 3.005 0.302) 3.803 3.065 ( 2.329 -3.895 -1.512) 4.783 3.382 ( 0.641 5.530 1.274) 5.711 3.458 ( -1.852 -1.382 0.753) 2.431 3.592 ( 0.936 0.594 -1.942) 2.236 3.619 ( 0.375 -1.529 -1.067) 1.902 3.881 ( -5.136 6.991 3.630) 9.404 3.989 ( -4.376 -3.074 4.299) 6.862 4.149 ( -4.451 6.672 1.092) 8.094 4.281 ( -4.846 -5.202 -1.033) 7.184 4.503 ( 2.499 4.392 -0.359) 5.066 4.589 ( 1.463 -3.840 -0.273) 4.118 6.558 ( -2.719 2.074 4.541) 5.685 6.610 ( -0.712 -3.106 5.314) 6.196 6.704 ( -2.396 4.374 -0.463) 5.009 6.791 ( -0.972 -3.496 4.301) 5.627 7.054 ( 3.529 5.504 0.634) 6.569 7.110 ( 0.584 0.136 0.732) 0.946 7.291 ( 3.171 0.110 0.143) 3.176 7.310 ( 4.236 -1.953 -1.407) 4.873 7.482 ( -0.070 3.824 6.032) 7.142 7.537 ( 0.391 -1.226 4.416) 4.600 7.824 ( 1.652 4.282 -0.828) 4.664 7.876 ( 1.359 -0.671 -1.370) 2.043 8.038 ( -3.999 7.285 -2.650) 8.723 8.160 ( -2.882 -4.095 -6.422) 8.143 8.388 ( 0.433 1.172 5.489) 5.629 8.447 ( 0.613 -4.474 7.236) 8.529 8.554 ( 0.771 1.395 -0.964) 1.863 8.631 ( -0.436 -5.303 -2.666) 5.952 8.798 ( 0.420 0.536 -7.622) 7.652 8.838 ( 0.854 -2.619 -5.936) 6.544 9.016 ( -0.428 1.633 1.791) 2.461 9.056 ( 0.156 -2.064 1.685) 2.668 9.407 ( 2.032 2.527 -3.085) 4.476 9.462 ( 2.573 -2.813 -3.445) 5.138 ======================= Grid point 206 (116/136) ======================= q-point: (-0.12 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 1.992 11.952 6.701) 13.846 1.916 ( -1.555 6.363 7.426) 9.901 2.075 ( -0.701 -0.517 -1.508) 1.742 2.136 ( 3.844 -1.133 0.228) 4.014 2.183 ( -0.555 -4.168 4.828) 6.402 2.265 ( 1.304 -5.661 -1.632) 6.034 2.350 ( 1.059 1.286 2.356) 2.886 2.378 ( 2.018 -1.050 2.312) 3.243 2.669 ( -0.083 0.745 -5.274) 5.327 2.702 ( -0.816 -1.736 -4.344) 4.749 2.719 ( 0.916 0.573 -2.923) 3.117 2.793 ( 0.406 -5.295 -3.912) 6.596 3.060 ( 3.188 2.176 0.285) 3.870 3.112 ( 2.102 -2.857 -1.644) 3.909 3.411 ( 1.580 4.764 0.594) 5.054 3.459 ( 3.213 -0.215 -0.865) 3.335 3.600 ( -1.783 2.371 0.403) 2.994 3.631 ( 0.931 -0.498 -0.576) 1.202 3.813 ( -1.126 5.156 2.576) 5.873 3.924 ( -2.624 -4.603 3.611) 6.412 4.058 ( -5.440 3.981 2.961) 7.363 4.160 ( -6.319 -6.059 0.916) 8.802 4.544 ( 1.559 3.380 -0.061) 3.723 4.602 ( 0.171 -2.366 -0.741) 2.486 6.539 ( -0.789 3.657 5.469) 6.626 6.632 ( 0.970 -5.609 6.379) 8.549 6.666 ( -1.135 5.446 -0.203) 5.567 6.772 ( -1.178 -4.820 2.234) 5.442 7.134 ( 4.174 3.551 1.846) 5.783 7.142 ( 2.938 2.027 0.349) 3.586 7.339 ( 0.945 1.811 3.736) 4.258 7.384 ( 1.848 -2.465 3.567) 4.713 7.508 ( 1.429 3.615 2.829) 4.808 7.556 ( 0.577 -0.992 2.250) 2.525 7.827 ( -1.092 3.219 -1.636) 3.773 7.849 ( -3.141 1.111 -0.322) 3.347 7.972 ( -1.686 6.670 -6.526) 9.482 8.102 ( -1.396 -5.325 -8.765) 10.350 8.389 ( -1.929 1.521 5.830) 6.326 8.426 ( -3.834 -2.185 5.186) 6.809 8.556 ( 0.374 -2.622 -0.782) 2.762 8.589 ( -1.098 -5.136 -5.447) 7.566 8.801 ( 1.356 2.011 -8.221) 8.571 8.863 ( 1.577 -3.876 -6.463) 7.700 9.054 ( 3.329 2.627 4.846) 6.439 9.101 ( 3.283 -1.858 4.924) 6.203 9.420 ( 0.104 3.214 -3.436) 4.706 9.481 ( 0.215 -2.740 -3.797) 4.688 ======================= Grid point 231 (117/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -5.303 0.000 -14.613) 15.545 1.666 ( 5.303 0.000 14.613) 15.545 1.808 ( -1.013 0.000 -13.820) 13.857 1.808 ( 1.013 0.000 13.820) 13.857 2.317 ( 3.712 0.000 -5.471) 6.612 2.317 ( -3.712 0.000 5.471) 6.612 2.537 ( 0.510 0.000 -5.052) 5.078 2.537 ( -0.510 0.000 5.052) 5.078 2.700 ( -6.863 0.000 1.078) 6.947 2.700 ( 6.863 0.000 -1.078) 6.947 2.996 ( 0.668 0.000 -7.861) 7.890 2.996 ( -0.668 0.000 7.861) 7.890 3.180 ( -0.587 0.000 -9.880) 9.898 3.180 ( 0.587 0.000 9.880) 9.898 3.234 ( -2.889 0.000 0.017) 2.889 3.234 ( 2.889 0.000 -0.017) 2.889 3.537 ( 0.182 0.000 -1.606) 1.616 3.537 ( -0.182 0.000 1.606) 1.616 3.851 ( 0.913 0.000 -0.633) 1.111 3.851 ( -0.913 0.000 0.633) 1.111 4.164 ( 0.054 0.000 -11.287) 11.287 4.164 ( -0.054 0.000 11.287) 11.287 4.505 ( -6.437 0.000 -1.797) 6.683 4.505 ( 6.437 0.000 1.797) 6.683 6.348 ( 1.071 0.000 -3.224) 3.397 6.348 ( -1.071 0.000 3.224) 3.397 6.804 ( -2.643 0.000 -2.396) 3.567 6.804 ( 2.643 0.000 2.396) 3.567 7.238 ( -2.082 0.000 -8.177) 8.438 7.238 ( 2.082 0.000 8.177) 8.438 7.296 ( -4.370 0.000 -5.443) 6.980 7.296 ( 4.370 0.000 5.443) 6.980 7.463 ( 0.138 0.000 -5.800) 5.801 7.463 ( -0.138 0.000 5.800) 5.801 7.690 ( -4.666 0.000 1.439) 4.883 7.690 ( 4.666 0.000 -1.439) 4.883 7.852 ( -4.342 0.000 -16.138) 16.712 7.852 ( 4.342 0.000 16.138) 16.712 8.497 ( 1.778 0.000 -11.066) 11.208 8.497 ( -1.778 0.000 11.066) 11.208 8.901 ( -2.267 0.000 -2.618) 3.463 8.901 ( 2.267 0.000 2.618) 3.463 8.934 ( -0.180 0.000 -4.771) 4.775 8.934 ( 0.180 0.000 4.771) 4.775 9.007 ( -3.396 0.000 -2.745) 4.367 9.007 ( 3.396 0.000 2.745) 4.367 9.413 ( -4.979 0.000 -4.453) 6.680 9.413 ( 4.979 0.000 4.453) 6.680 ======================= Grid point 233 (118/136) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -4.647 0.000 -14.735) 15.450 1.710 ( -4.424 0.000 12.139) 12.920 1.823 ( 5.645 0.000 -11.813) 13.093 1.894 ( 4.043 0.000 12.737) 13.364 2.273 ( -1.325 0.000 5.537) 5.693 2.359 ( 1.583 0.000 -4.093) 4.388 2.525 ( -1.727 0.000 -1.777) 2.478 2.550 ( 0.551 0.000 6.016) 6.041 2.629 ( 1.027 0.000 -5.116) 5.218 2.839 ( 4.601 0.000 0.234) 4.607 2.995 ( 2.295 0.000 -9.575) 9.846 3.000 ( -0.323 0.000 4.405) 4.417 3.139 ( -1.115 0.000 -11.758) 11.811 3.219 ( 1.897 0.000 -0.066) 1.898 3.231 ( 1.340 0.000 10.581) 10.665 3.307 ( 4.879 0.000 -2.202) 5.353 3.522 ( -1.688 0.000 -1.209) 2.076 3.537 ( -0.139 0.000 3.418) 3.421 3.793 ( -4.339 0.000 -0.672) 4.391 3.826 ( -2.771 0.000 -0.788) 2.881 4.112 ( -2.845 0.000 -6.757) 7.331 4.152 ( -4.966 0.000 13.377) 14.269 4.400 ( -2.269 0.000 -3.410) 4.096 4.628 ( 5.107 0.000 0.984) 5.201 6.360 ( 1.380 0.000 3.965) 4.198 6.384 ( 3.088 0.000 -2.371) 3.893 6.745 ( -2.332 0.000 -4.532) 5.096 6.858 ( 2.219 0.000 1.607) 2.739 7.154 ( -2.849 0.000 -4.503) 5.329 7.198 ( -3.305 0.000 -9.256) 9.828 7.213 ( -5.910 0.000 5.839) 8.308 7.352 ( -1.259 0.000 4.221) 4.405 7.444 ( -1.127 0.000 -4.707) 4.840 7.498 ( 2.422 0.000 5.020) 5.574 7.663 ( 1.500 0.000 4.638) 4.874 7.673 ( -5.909 0.000 -10.001) 11.616 7.839 ( 6.148 0.000 -5.388) 8.175 7.953 ( 1.016 0.000 16.724) 16.755 8.494 ( -1.320 0.000 10.560) 10.642 8.512 ( 2.655 0.000 -10.217) 10.556 8.824 ( -4.133 0.000 -2.114) 4.642 8.908 ( -2.357 0.000 6.785) 7.183 8.945 ( -1.087 0.000 -2.847) 3.047 8.948 ( 1.770 0.000 -6.270) 6.515 9.005 ( 5.006 0.000 0.009) 5.006 9.081 ( 3.241 0.000 2.108) 3.866 9.288 ( -6.022 0.000 -4.328) 7.416 9.496 ( 2.180 0.000 3.594) 4.204 ======================= Grid point 234 (119/136) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 2.973 0.000 -11.340) 11.724 1.653 ( -2.133 0.000 7.092) 7.406 1.909 ( 5.159 0.000 -8.247) 9.728 2.018 ( 4.955 0.000 10.912) 11.984 2.285 ( 0.692 0.000 4.362) 4.417 2.364 ( 0.133 0.000 -3.708) 3.711 2.468 ( -3.220 0.000 -0.341) 3.238 2.590 ( 1.757 0.000 6.855) 7.077 2.691 ( 5.830 0.000 -8.507) 10.313 2.801 ( -7.027 0.000 0.426) 7.040 3.007 ( -2.647 0.000 0.409) 2.678 3.020 ( 1.948 0.000 2.030) 2.813 3.146 ( 6.253 0.000 -13.657) 15.020 3.252 ( -2.153 0.000 5.498) 5.905 3.285 ( 3.828 0.000 0.293) 3.839 3.404 ( 3.859 0.000 -3.270) 5.059 3.466 ( -1.925 0.000 -1.612) 2.511 3.554 ( 0.738 0.000 4.212) 4.276 3.713 ( -1.849 0.000 -5.674) 5.968 3.760 ( -3.348 0.000 0.380) 3.370 4.026 ( -4.648 0.000 -0.596) 4.686 4.032 ( -9.410 0.000 10.701) 14.249 4.414 ( 3.723 0.000 -1.627) 4.063 4.698 ( 1.536 0.000 1.045) 1.858 6.418 ( 3.210 0.000 4.506) 5.532 6.450 ( 3.868 0.000 -1.552) 4.167 6.696 ( -0.903 0.000 -6.981) 7.039 6.882 ( -1.329 0.000 2.706) 3.015 7.101 ( -4.723 0.000 4.061) 6.229 7.114 ( -0.798 0.000 -5.741) 5.796 7.152 ( 1.616 0.000 -5.387) 5.624 7.310 ( -3.143 0.000 4.646) 5.609 7.390 ( -2.755 0.000 -5.786) 6.409 7.513 ( -2.521 0.000 1.480) 2.923 7.542 ( -4.693 0.000 -4.176) 6.282 7.729 ( 2.293 0.000 4.392) 4.955 7.933 ( 4.584 0.000 -8.025) 9.241 7.975 ( -2.490 0.000 15.867) 16.062 8.504 ( -0.048 0.000 9.422) 9.422 8.555 ( 4.009 0.000 -8.584) 9.474 8.737 ( -3.822 0.000 -2.739) 4.703 8.850 ( -3.733 0.000 3.002) 4.790 8.939 ( -0.692 0.000 2.212) 2.318 8.955 ( 0.528 0.000 -6.799) 6.819 9.126 ( 7.029 0.000 0.031) 7.029 9.138 ( 1.814 0.000 1.841) 2.585 9.177 ( -3.695 0.000 -2.954) 4.731 9.517 ( -0.761 0.000 2.223) 2.350 ======================= Grid point 235 (120/136) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 8.294 0.000 -4.633) 9.501 1.684 ( 3.430 0.000 0.500) 3.466 1.976 ( 3.443 0.000 -4.175) 5.412 2.111 ( 0.930 0.000 7.766) 7.821 2.311 ( 0.825 0.000 3.332) 3.433 2.350 ( -0.539 0.000 -3.372) 3.415 2.410 ( -2.048 0.000 -1.012) 2.284 2.555 ( -9.845 0.000 4.345) 10.762 2.737 ( 4.904 0.000 5.750) 7.557 2.785 ( 5.129 0.000 -6.773) 8.496 2.935 ( -3.893 0.000 -0.034) 3.893 3.103 ( 5.771 0.000 -1.728) 6.025 3.139 ( -8.484 0.000 -3.711) 9.260 3.246 ( 5.494 0.000 -6.512) 8.520 3.326 ( -0.811 0.000 2.873) 2.985 3.387 ( -1.990 0.000 2.078) 2.877 3.514 ( 3.866 0.000 -4.489) 5.924 3.572 ( -0.512 0.000 6.290) 6.311 3.710 ( -1.613 0.000 1.392) 2.131 3.715 ( 3.568 0.000 -11.781) 12.309 3.873 ( -7.560 0.000 6.329) 9.860 3.932 ( -5.310 0.000 5.288) 7.494 4.512 ( 5.811 0.000 -0.489) 5.831 4.693 ( -2.219 0.000 0.993) 2.431 6.499 ( 3.287 0.000 4.858) 5.866 6.518 ( 3.029 0.000 -1.360) 3.320 6.678 ( 1.152 0.000 -8.676) 8.753 6.806 ( -6.091 0.000 4.770) 7.736 7.081 ( 0.392 0.000 5.873) 5.886 7.100 ( 1.461 0.000 -10.262) 10.366 7.209 ( 3.249 0.000 1.306) 3.502 7.269 ( -1.729 0.000 2.632) 3.149 7.329 ( -1.483 0.000 -3.958) 4.227 7.424 ( -5.733 0.000 -0.429) 5.749 7.484 ( 0.229 0.000 -0.094) 0.247 7.714 ( -4.985 0.000 -0.074) 4.986 7.969 ( -1.442 0.000 15.221) 15.289 7.978 ( 2.581 0.000 -11.171) 11.465 8.535 ( 0.732 0.000 7.879) 7.913 8.604 ( 1.248 0.000 -6.541) 6.659 8.681 ( 0.595 0.000 -4.127) 4.170 8.789 ( -3.326 0.000 4.395) 5.512 8.922 ( -1.341 0.000 3.577) 3.820 8.938 ( -0.312 0.000 -6.889) 6.896 9.136 ( -0.155 0.000 -1.632) 1.640 9.158 ( -0.157 0.000 1.601) 1.608 9.268 ( 6.962 0.000 0.470) 6.978 9.480 ( -3.282 0.000 0.804) 3.379 ======================= Grid point 236 (121/136) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -3.895 0.000 -0.982) 4.017 1.696 ( 3.895 0.000 0.982) 4.017 2.063 ( 6.197 0.000 -3.374) 7.056 2.063 ( -6.197 0.000 3.374) 7.056 2.332 ( -0.545 0.000 -2.526) 2.584 2.332 ( 0.545 0.000 2.526) 2.584 2.410 ( 3.596 0.000 -2.667) 4.477 2.410 ( -3.596 0.000 2.667) 4.477 2.860 ( 3.994 0.000 -3.237) 5.141 2.860 ( -3.994 0.000 3.237) 5.141 2.918 ( -10.273 0.000 -6.682) 12.255 2.918 ( 10.273 0.000 6.682) 12.255 3.240 ( 6.349 0.000 -2.882) 6.972 3.240 ( -6.349 0.000 2.882) 6.972 3.342 ( 3.451 0.000 -3.394) 4.841 3.342 ( -3.451 0.000 3.394) 4.841 3.561 ( 2.276 0.000 -6.170) 6.576 3.561 ( -2.276 0.000 6.170) 6.576 3.713 ( -1.546 0.000 -1.572) 2.205 3.713 ( 1.546 0.000 1.572) 2.205 3.847 ( 4.460 0.000 -7.313) 8.566 3.847 ( -4.460 0.000 7.313) 8.566 4.622 ( -4.982 0.000 0.585) 5.017 4.622 ( 4.982 0.000 -0.585) 5.017 6.547 ( 0.063 0.000 -3.403) 3.404 6.547 ( -0.063 0.000 3.403) 3.404 6.710 ( 4.493 0.000 -7.573) 8.806 6.710 ( -4.493 0.000 7.573) 8.806 7.102 ( 0.923 0.000 -10.914) 10.953 7.102 ( -0.923 0.000 10.914) 10.953 7.252 ( -0.605 0.000 -2.474) 2.546 7.252 ( 0.605 0.000 2.474) 2.546 7.328 ( -2.673 0.000 0.425) 2.707 7.328 ( 2.673 0.000 -0.425) 2.707 7.571 ( -7.477 0.000 -0.829) 7.523 7.571 ( 7.477 0.000 0.829) 7.523 7.984 ( 1.178 0.000 -13.220) 13.273 7.984 ( -1.178 0.000 13.220) 13.273 8.572 ( -1.373 0.000 -5.879) 6.038 8.572 ( 1.373 0.000 5.879) 6.038 8.731 ( 3.943 0.000 -5.521) 6.785 8.731 ( -3.943 0.000 5.521) 6.785 8.918 ( 0.164 0.000 -5.599) 5.601 8.918 ( -0.164 0.000 5.599) 5.601 9.146 ( 1.138 0.000 -1.368) 1.779 9.146 ( -1.138 0.000 1.368) 1.779 9.394 ( -5.419 0.000 -0.201) 5.422 9.394 ( 5.419 0.000 0.201) 5.422 ======================= Grid point 241 (122/136) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -3.553 3.397 -12.465) 13.399 1.696 ( 3.553 3.397 12.465) 13.399 1.874 ( 0.757 5.621 -15.406) 16.417 1.874 ( -0.757 5.621 15.406) 16.417 2.315 ( 2.423 -0.199 -4.010) 4.690 2.315 ( -2.423 -0.199 4.010) 4.690 2.533 ( 0.305 -0.512 -5.587) 5.619 2.533 ( -0.305 -0.512 5.587) 5.619 2.678 ( -6.561 -2.560 -1.073) 7.124 2.678 ( 6.561 -2.560 1.073) 7.124 2.933 ( 1.052 -4.972 -5.261) 7.315 2.933 ( -1.052 -4.972 5.261) 7.315 3.173 ( -0.326 -0.977 -7.149) 7.223 3.173 ( 0.326 -0.977 7.149) 7.223 3.277 ( 2.301 3.954 -6.277) 7.767 3.277 ( -2.301 3.954 6.277) 7.767 3.548 ( -0.090 0.994 -1.628) 1.910 3.548 ( 0.090 0.994 1.628) 1.910 3.859 ( -5.327 0.674 -1.299) 5.525 3.859 ( 5.327 0.674 1.299) 5.525 4.148 ( -0.052 -1.491 -10.358) 10.464 4.148 ( 0.052 -1.491 10.358) 10.464 4.518 ( -4.969 1.270 -2.246) 5.599 4.518 ( 4.969 1.270 2.246) 5.599 6.399 ( 1.776 4.459 -3.488) 5.933 6.399 ( -1.776 4.459 3.488) 5.933 6.852 ( -1.763 3.625 -1.624) 4.345 6.852 ( 1.763 3.625 1.624) 4.345 7.212 ( -2.937 -2.358 -5.689) 6.822 7.212 ( 2.937 -2.358 5.689) 6.822 7.278 ( -4.693 0.072 -3.796) 6.037 7.278 ( 4.693 0.072 3.796) 6.037 7.509 ( 1.662 3.425 -4.365) 5.792 7.509 ( -1.662 3.425 4.365) 5.792 7.695 ( -3.423 0.640 -0.399) 3.505 7.695 ( 3.423 0.640 0.399) 3.505 7.854 ( -4.512 0.079 -13.800) 14.519 7.854 ( 4.512 0.079 13.800) 14.519 8.499 ( 1.921 0.193 -10.940) 11.109 8.499 ( -1.921 0.193 10.940) 11.109 8.784 ( -0.161 -7.957 -4.800) 9.295 8.784 ( 0.161 -7.957 4.800) 9.295 8.908 ( -0.464 -3.113 -5.460) 6.303 8.908 ( 0.464 -3.113 5.460) 6.303 9.080 ( -3.108 4.514 -3.566) 6.538 9.080 ( 3.108 4.514 3.566) 6.538 9.411 ( -4.434 -0.248 -4.565) 6.369 9.411 ( 4.434 -0.248 4.565) 6.369 ======================= Grid point 243 (123/136) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -3.957 5.806 -11.922) 13.838 1.770 ( -1.865 4.655 11.168) 12.242 1.855 ( 2.890 3.935 -8.043) 9.409 1.924 ( 2.519 2.938 7.314) 8.275 2.290 ( -0.516 1.108 3.608) 3.809 2.348 ( 1.596 -0.870 -3.232) 3.707 2.516 ( -1.698 -0.971 -2.253) 2.984 2.550 ( 0.043 -0.096 6.344) 6.345 2.585 ( -0.172 -3.951 -6.669) 7.754 2.787 ( 1.877 -4.873 1.344) 5.393 2.915 ( 1.475 -4.361 1.112) 4.736 2.987 ( 2.882 -4.227 -2.581) 5.730 3.132 ( -1.394 -1.249 -7.891) 8.110 3.185 ( 0.657 -1.620 0.703) 1.884 3.286 ( -0.069 3.725 7.894) 8.729 3.350 ( 5.751 3.897 -5.391) 8.793 3.517 ( -2.236 0.200 -0.226) 2.256 3.564 ( 0.491 1.885 2.315) 3.025 3.731 ( -5.574 -1.825 -1.630) 6.088 3.915 ( 0.003 4.170 1.101) 4.313 4.102 ( -2.280 -0.434 -5.692) 6.147 4.155 ( -2.808 0.064 10.700) 11.063 4.427 ( -2.350 2.389 -3.075) 4.548 4.624 ( 4.460 -0.394 0.948) 4.577 6.396 ( 0.564 3.344 4.268) 5.451 6.444 ( 3.343 5.022 -2.678) 6.601 6.802 ( -2.409 4.686 -2.844) 5.988 6.883 ( 0.301 1.389 1.384) 1.984 7.111 ( -3.699 -3.712 -7.703) 9.316 7.153 ( -4.063 -0.881 -4.213) 5.919 7.263 ( -1.192 2.852 1.329) 3.365 7.346 ( -0.085 -0.172 3.780) 3.785 7.478 ( -2.482 2.234 0.238) 3.348 7.529 ( 1.623 3.060 -0.746) 3.543 7.665 ( -0.354 1.057 1.417) 1.802 7.710 ( -3.452 2.601 -5.166) 6.736 7.827 ( 6.194 -0.782 -1.856) 6.513 7.950 ( 1.226 -0.366 14.267) 14.324 8.490 ( -1.398 -0.448 9.403) 9.517 8.513 ( 2.096 0.123 -9.343) 9.576 8.765 ( -1.588 -4.804 -2.379) 5.591 8.819 ( 1.957 -7.800 5.605) 9.802 8.866 ( -0.657 -5.050 -3.409) 6.128 8.944 ( -0.451 -2.380 1.446) 2.821 9.025 ( -0.130 2.914 -5.317) 6.064 9.144 ( 2.485 3.432 1.181) 4.399 9.302 ( -4.893 1.170 -3.597) 6.184 9.485 ( 1.765 -1.050 3.796) 4.316 ======================= Grid point 244 (124/136) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 2.222 6.080 -9.129) 11.191 1.724 ( -2.323 6.452 5.798) 8.981 1.923 ( 4.260 1.248 -6.298) 7.705 2.016 ( 4.332 0.581 8.351) 9.426 2.303 ( 0.567 1.076 2.853) 3.101 2.360 ( 0.457 -0.282 -3.009) 3.057 2.455 ( -3.104 -1.322 -0.842) 3.478 2.578 ( 0.892 -1.184 7.239) 7.389 2.619 ( 4.101 -5.977 -9.496) 11.947 2.752 ( -4.366 -4.261 0.410) 6.115 2.944 ( -0.790 -4.653 1.623) 4.991 3.022 ( 1.279 -2.768 -2.803) 4.142 3.096 ( -1.438 -5.231 -2.284) 5.886 3.207 ( -0.150 -5.137 0.674) 5.183 3.252 ( -1.648 1.466 0.163) 2.212 3.458 ( 5.449 3.485 -5.339) 8.387 3.499 ( 0.819 2.737 0.637) 2.927 3.574 ( -0.232 1.131 4.215) 4.370 3.681 ( 1.163 1.542 -2.811) 3.410 3.885 ( -2.243 6.657 -0.833) 7.074 4.029 ( -4.543 2.708 0.365) 5.302 4.086 ( -5.565 3.398 7.118) 9.653 4.428 ( 2.752 1.176 -1.500) 3.348 4.686 ( 1.366 -1.221 0.861) 2.024 6.442 ( 2.723 2.313 5.085) 6.215 6.509 ( 3.597 4.803 -2.082) 6.351 6.749 ( -1.812 4.747 -5.109) 7.206 6.853 ( -3.681 -2.738 1.652) 4.876 7.047 ( -0.485 -1.817 -6.803) 7.058 7.126 ( 1.790 -0.465 -1.714) 2.521 7.215 ( -2.673 4.490 -0.147) 5.228 7.322 ( -2.220 0.757 3.326) 4.070 7.416 ( -2.984 2.421 -3.853) 5.441 7.525 ( -2.086 1.471 -2.041) 3.268 7.581 ( -4.401 3.637 -1.294) 5.854 7.742 ( 1.652 1.262 4.329) 4.802 7.935 ( 4.546 0.704 -1.102) 4.730 7.979 ( -0.818 0.206 10.266) 10.300 8.497 ( -0.193 -0.911 8.785) 8.835 8.543 ( 3.261 -1.039 -8.000) 8.702 8.703 ( -3.802 -2.941 -1.497) 5.034 8.836 ( -2.899 -2.792 4.032) 5.697 8.864 ( 0.945 -4.533 -4.254) 6.288 8.925 ( 0.027 -4.428 1.251) 4.602 9.053 ( 3.187 -1.481 -3.014) 4.630 9.165 ( -0.055 0.052 -4.883) 4.884 9.243 ( -0.049 3.944 2.697) 4.778 9.499 ( -1.086 -1.662 2.492) 3.186 ======================= Grid point 245 (125/136) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 7.601 4.804 -3.712) 9.728 1.742 ( 2.740 5.371 -0.081) 6.030 1.974 ( 2.514 -0.304 -3.820) 4.583 2.102 ( 0.994 -0.651 7.857) 7.946 2.319 ( 0.370 0.504 2.348) 2.430 2.352 ( -0.415 0.331 -3.147) 3.192 2.401 ( -1.732 -0.816 -1.460) 2.408 2.532 ( -8.744 -2.106 4.614) 10.109 2.673 ( 3.457 -4.947 4.488) 7.521 2.725 ( 3.809 -6.307 -8.208) 11.030 2.901 ( -2.956 -2.672 0.150) 3.988 2.970 ( -6.172 -10.476 -2.874) 12.494 3.084 ( 3.098 -3.793 -1.521) 5.128 3.219 ( 0.059 -7.377 0.978) 7.442 3.272 ( 3.120 2.173 -1.294) 4.016 3.462 ( -3.108 2.760 0.377) 4.173 3.553 ( 3.038 2.220 -2.159) 4.338 3.587 ( 0.054 1.993 4.697) 5.102 3.728 ( 3.225 4.854 -2.075) 6.186 3.864 ( 2.140 9.266 -8.050) 12.460 3.918 ( -6.695 5.672 5.291) 10.247 4.005 ( -4.286 5.672 5.381) 8.916 4.508 ( 5.092 -0.421 -0.304) 5.118 4.679 ( -2.213 -1.448 0.785) 2.759 6.520 ( 3.409 2.053 5.701) 6.953 6.567 ( 2.588 4.269 -2.108) 5.419 6.709 ( -0.551 2.914 -6.612) 7.247 6.770 ( -4.576 -2.613 2.175) 5.701 7.053 ( 2.289 -1.073 -4.545) 5.201 7.166 ( -2.392 3.270 2.273) 4.646 7.182 ( 2.638 -1.317 -0.191) 2.954 7.290 ( -1.802 -0.327 0.864) 2.025 7.371 ( 0.313 4.725 -3.967) 6.178 7.472 ( -3.261 4.571 -0.282) 5.622 7.504 ( -1.219 2.527 0.164) 2.810 7.717 ( -5.274 0.398 1.495) 5.496 7.987 ( -0.256 2.081 14.320) 14.472 8.005 ( 2.863 2.393 -10.290) 10.945 8.521 ( 0.493 -1.574 6.912) 7.106 8.593 ( 1.949 -1.170 -6.204) 6.607 8.631 ( -1.190 -4.258 -1.359) 4.625 8.764 ( -4.281 -2.820 2.368) 5.647 8.877 ( 1.487 -2.719 -4.222) 5.237 8.922 ( -1.220 -2.610 2.878) 4.072 9.107 ( 2.312 -2.124 -1.603) 3.525 9.157 ( 0.177 -0.078 -2.472) 2.480 9.288 ( 3.522 1.119 2.152) 4.276 9.458 ( -3.353 -1.994 1.046) 4.038 ======================= Grid point 246 (126/136) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -3.764 4.406 -1.370) 5.955 1.743 ( 3.764 4.406 1.370) 5.955 2.053 ( 6.212 -1.237 -3.980) 7.480 2.053 ( -6.212 -1.237 3.980) 7.480 2.333 ( -0.468 0.288 -2.695) 2.750 2.333 ( 0.468 0.288 2.695) 2.750 2.404 ( 3.134 -0.530 -3.126) 4.458 2.404 ( -3.134 -0.530 3.126) 4.458 2.757 ( -0.751 -9.355 -8.200) 12.463 2.757 ( 0.751 -9.355 8.200) 12.463 2.866 ( -0.934 -3.066 -1.878) 3.715 2.866 ( 0.934 -3.066 1.878) 3.715 3.166 ( 4.890 -7.615 -4.202) 9.978 3.166 ( -4.890 -7.615 4.202) 9.978 3.370 ( 0.627 3.205 -3.141) 4.532 3.370 ( -0.627 3.205 3.141) 4.532 3.587 ( 1.227 1.768 -4.330) 4.835 3.587 ( -1.227 1.768 4.330) 4.835 3.800 ( 1.417 7.211 -2.021) 7.622 3.800 ( -1.417 7.211 2.021) 7.622 3.932 ( 4.775 7.539 -8.332) 12.209 3.932 ( -4.775 7.539 8.332) 12.209 4.609 ( -4.506 -1.289 0.255) 4.693 4.609 ( 4.506 -1.289 -0.255) 4.693 6.582 ( -0.796 3.201 -4.758) 5.790 6.582 ( 0.796 3.201 4.758) 5.790 6.706 ( 2.031 -0.025 -6.441) 6.754 6.706 ( -2.031 -0.025 6.441) 6.754 7.106 ( 2.192 -0.192 -9.262) 9.520 7.106 ( -2.192 -0.192 9.262) 9.520 7.240 ( -2.156 -1.001 -0.823) 2.515 7.240 ( 2.156 -1.001 0.823) 2.515 7.402 ( 3.085 6.540 -3.236) 7.923 7.402 ( -3.085 6.540 3.236) 7.923 7.579 ( -5.071 1.026 -0.969) 5.263 7.579 ( 5.071 1.026 0.969) 5.263 8.013 ( 0.948 2.884 -12.409) 12.775 8.013 ( -0.948 2.884 12.409) 12.775 8.554 ( -1.565 -2.045 -4.679) 5.341 8.554 ( 1.565 -2.045 4.679) 5.341 8.686 ( 3.228 -3.816 -2.685) 5.673 8.686 ( -3.228 -3.816 2.685) 5.673 8.899 ( 1.590 -1.768 -3.925) 4.589 8.899 ( -1.590 -1.768 3.925) 4.589 9.141 ( 0.388 -0.533 -1.723) 1.845 9.141 ( -0.388 -0.533 1.723) 1.845 9.378 ( -3.441 -1.517 -1.332) 3.989 9.378 ( 3.441 -1.517 1.332) 3.989 ======================= Grid point 251 (127/136) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -1.434 6.966 -8.190) 10.847 1.805 ( 1.434 6.966 8.190) 10.847 2.004 ( 2.256 6.569 -13.946) 15.580 2.004 ( -2.256 6.569 13.946) 15.580 2.303 ( 0.329 -1.275 -1.219) 1.794 2.303 ( -0.329 -1.275 1.219) 1.794 2.517 ( -0.167 -0.928 -6.789) 6.854 2.517 ( 0.167 -0.928 6.789) 6.854 2.598 ( -5.275 -4.387 -2.964) 7.474 2.598 ( 5.275 -4.387 2.964) 7.474 2.826 ( 1.291 -5.516 -4.166) 7.032 2.826 ( -1.291 -5.516 4.166) 7.032 3.139 ( -0.157 -2.067 -2.961) 3.614 3.139 ( 0.157 -2.067 2.961) 3.614 3.380 ( 1.745 5.519 -6.957) 9.050 3.380 ( -1.745 5.519 6.957) 9.050 3.572 ( -0.959 1.303 -1.880) 2.480 3.572 ( 0.959 1.303 1.880) 2.480 3.874 ( -6.688 0.802 -1.672) 6.940 3.874 ( 6.688 0.802 1.672) 6.940 4.110 ( -0.436 -2.076 -7.401) 7.699 4.110 ( 0.436 -2.076 7.401) 7.699 4.551 ( -2.345 1.690 -2.236) 3.654 4.551 ( 2.345 1.690 2.236) 3.654 6.505 ( 2.396 5.615 -3.715) 7.146 6.505 ( -2.396 5.615 3.715) 7.146 6.868 ( 1.344 -3.116 -1.612) 3.757 6.868 ( -1.344 -3.116 1.612) 3.757 7.191 ( -1.552 0.246 -2.071) 2.600 7.191 ( 1.552 0.246 2.071) 2.600 7.327 ( -0.571 4.838 -3.071) 5.759 7.327 ( 0.571 4.838 3.071) 5.759 7.577 ( 2.691 2.893 -3.285) 5.139 7.577 ( -2.691 2.893 3.285) 5.139 7.727 ( -0.577 2.665 -3.006) 4.058 7.727 ( 0.577 2.665 3.006) 4.058 7.853 ( -3.885 -0.013 -10.340) 11.046 7.853 ( 3.885 -0.013 10.340) 11.046 8.502 ( 2.942 -0.360 -9.717) 10.159 8.502 ( -2.942 -0.360 9.717) 10.159 8.622 ( 1.752 -6.999 -6.102) 9.450 8.622 ( -1.752 -6.999 6.102) 9.450 8.820 ( -1.039 -5.241 -6.227) 8.205 8.820 ( 1.039 -5.241 6.227) 8.205 9.163 ( -2.617 3.562 -3.501) 5.639 9.163 ( 2.617 3.562 3.501) 5.639 9.400 ( -3.178 -0.865 -4.392) 5.489 9.400 ( 3.178 -0.865 4.392) 5.489 ======================= Grid point 253 (128/136) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -2.565 9.638 -8.068) 12.829 1.863 ( 1.662 4.928 4.847) 7.109 1.979 ( -3.300 6.203 10.768) 12.858 2.014 ( 2.634 6.225 -10.527) 12.510 2.291 ( -0.015 -1.268 0.379) 1.324 2.328 ( 1.230 -1.670 0.007) 2.075 2.484 ( -4.002 -3.149 -3.442) 6.146 2.495 ( 0.390 -2.857 -8.122) 8.619 2.547 ( -0.037 -0.091 6.177) 6.178 2.678 ( 1.031 -4.894 3.336) 6.012 2.802 ( -0.973 -6.961 2.088) 7.332 2.875 ( 3.421 -6.088 -1.193) 7.085 3.090 ( -3.413 -2.094 -2.404) 4.670 3.143 ( -0.676 -2.618 0.512) 2.751 3.351 ( -1.226 2.795 2.479) 3.932 3.447 ( 2.251 3.442 -3.196) 5.208 3.532 ( -0.398 1.785 0.629) 1.934 3.603 ( 0.052 1.580 1.121) 1.938 3.749 ( -2.547 3.768 -1.460) 4.777 3.969 ( 2.139 1.558 2.169) 3.422 4.096 ( 0.422 -0.548 -6.425) 6.462 4.158 ( 1.910 0.212 8.010) 8.238 4.485 ( -2.583 3.123 -1.868) 4.462 4.613 ( 2.602 -0.666 0.682) 2.771 6.478 ( -0.790 4.366 3.875) 5.890 6.560 ( 3.405 6.011 -3.105) 7.574 6.804 ( -3.324 -4.506 0.667) 5.639 6.922 ( 2.341 -0.104 -0.811) 2.480 7.082 ( -5.544 2.027 -7.269) 9.364 7.144 ( -3.245 -0.005 -3.049) 4.453 7.338 ( -1.119 2.385 0.739) 2.736 7.368 ( 0.728 3.772 0.856) 3.936 7.533 ( -1.910 3.689 0.358) 4.169 7.602 ( 0.737 3.579 -5.336) 6.467 7.708 ( -0.290 2.988 3.171) 4.367 7.756 ( -2.042 1.405 -1.744) 3.031 7.833 ( 6.223 1.922 1.037) 6.595 7.937 ( 1.568 -0.683 12.081) 12.201 8.469 ( -2.107 -1.792 7.631) 8.117 8.521 ( 1.263 0.812 -8.925) 9.051 8.644 ( 3.124 -8.621 6.153) 11.043 8.666 ( 2.178 -4.121 -1.602) 4.928 8.751 ( -2.738 -5.669 -3.818) 7.363 8.867 ( 0.730 -5.126 2.289) 5.661 9.089 ( -2.909 3.263 -5.151) 6.756 9.194 ( -0.416 1.355 -1.451) 2.029 9.329 ( -2.376 1.441 -1.184) 3.020 9.454 ( 0.901 -1.944 4.040) 4.573 ======================= Grid point 254 (129/136) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.426 9.846 -5.935) 11.505 1.868 ( -1.745 6.251 3.542) 7.393 1.969 ( 0.895 3.702 1.268) 4.014 2.057 ( 2.624 3.132 -1.130) 4.240 2.302 ( 0.983 -1.274 -0.550) 1.700 2.350 ( 0.951 -1.452 0.062) 1.737 2.415 ( -2.077 -2.308 -2.800) 4.181 2.499 ( 2.249 -4.561 -10.450) 11.622 2.552 ( -1.221 -1.027 6.996) 7.175 2.660 ( -3.030 -4.092 1.250) 5.242 2.780 ( -2.246 -9.774 2.579) 10.355 2.927 ( 0.036 -9.070 0.514) 9.085 2.998 ( -3.869 -0.707 -2.560) 4.693 3.116 ( -1.894 -3.986 1.289) 4.598 3.312 ( -1.083 3.634 -0.944) 3.907 3.489 ( 2.314 -0.199 -1.032) 2.541 3.535 ( 0.100 0.730 1.969) 2.103 3.602 ( 0.335 0.802 1.414) 1.660 3.785 ( 4.718 7.683 -2.372) 9.323 4.005 ( 1.352 6.060 1.697) 6.436 4.090 ( 0.731 1.392 -4.719) 4.974 4.180 ( -2.340 5.388 7.130) 9.238 4.456 ( 0.466 1.679 -1.484) 2.289 4.648 ( 0.533 -2.493 0.498) 2.598 6.498 ( 1.828 2.994 4.854) 5.988 6.615 ( 2.787 5.025 -2.168) 6.141 6.749 ( -2.053 -3.453 -0.737) 4.084 6.914 ( -4.212 7.600 -1.162) 8.766 7.007 ( 1.198 -2.994 -8.737) 9.313 7.112 ( 1.029 -0.531 -1.898) 2.223 7.275 ( -4.500 0.633 2.093) 5.003 7.335 ( -3.789 0.057 -0.715) 3.856 7.505 ( -0.287 6.711 -3.598) 7.621 7.577 ( -1.285 3.471 -5.456) 6.592 7.671 ( -2.929 4.671 3.132) 6.340 7.771 ( -0.110 1.279 5.606) 5.752 7.969 ( 6.755 1.428 -2.768) 7.438 7.987 ( 1.271 1.730 12.860) 13.037 8.460 ( -0.882 -2.402 6.114) 6.628 8.528 ( 1.518 -0.163 -4.844) 5.078 8.642 ( -4.035 -2.565 -0.390) 4.797 8.727 ( 0.905 -5.653 -3.945) 6.952 8.746 ( 4.132 -7.480 4.769) 9.787 8.849 ( -1.992 -3.583 -0.175) 4.103 9.050 ( 0.460 0.805 -4.390) 4.487 9.156 ( -1.203 -0.958 -5.050) 5.279 9.306 ( -0.782 2.406 2.604) 3.631 9.454 ( -1.724 -2.602 2.981) 4.316 ======================= Grid point 255 (130/136) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 5.679 7.478 -2.296) 9.666 1.868 ( 1.645 5.476 -0.114) 5.719 1.975 ( -0.483 1.407 -2.282) 2.724 2.083 ( -1.527 -1.654 5.244) 5.707 2.321 ( 1.081 -0.122 -0.294) 1.127 2.361 ( 0.374 -0.044 -1.036) 1.102 2.384 ( -0.858 -0.513 -2.417) 2.616 2.479 ( -5.327 -2.759 3.038) 6.725 2.553 ( 2.660 -7.282 -9.346) 12.143 2.597 ( -1.966 -3.498 3.399) 5.259 2.740 ( -1.353 -9.027 0.196) 9.130 2.841 ( -5.552 -7.495 2.767) 9.729 3.001 ( 2.026 -2.556 -2.247) 3.961 3.081 ( -2.169 -4.698 1.569) 5.407 3.335 ( 3.513 3.376 -1.484) 5.093 3.489 ( -1.872 0.480 1.033) 2.192 3.571 ( 2.085 -0.256 0.973) 2.315 3.614 ( 0.039 0.038 1.064) 1.066 3.877 ( 4.983 8.712 -1.937) 10.222 4.037 ( 1.565 8.545 -0.704) 8.716 4.100 ( -0.374 7.103 -2.325) 7.483 4.114 ( -3.900 6.442 5.100) 9.095 4.493 ( 3.136 -0.976 0.004) 3.285 4.632 ( -2.273 -3.240 0.271) 3.967 6.570 ( 3.736 2.611 6.054) 7.579 6.662 ( 2.384 3.512 0.327) 4.257 6.715 ( -1.331 -0.007 -2.908) 3.199 6.812 ( -4.440 5.469 -5.229) 8.773 7.027 ( 2.227 -1.739 -4.678) 5.465 7.158 ( 2.387 -0.944 -1.392) 2.920 7.186 ( -4.940 -1.898 4.125) 6.710 7.252 ( -3.123 -2.336 -0.850) 3.992 7.513 ( 2.139 7.928 -5.418) 9.838 7.556 ( 1.053 4.356 -3.082) 5.439 7.613 ( -3.765 6.241 4.448) 8.539 7.732 ( -5.029 0.960 4.522) 6.831 8.043 ( 2.806 3.063 4.549) 6.160 8.083 ( 3.655 5.124 -0.408) 6.307 8.453 ( -0.748 -4.786 3.076) 5.738 8.551 ( -4.093 -3.351 -0.124) 5.291 8.564 ( 2.246 -1.042 -1.092) 2.706 8.689 ( -3.102 -3.441 -2.907) 5.469 8.818 ( 1.632 -4.327 4.301) 6.315 8.839 ( 1.048 -4.394 -2.618) 5.221 9.076 ( 2.635 -0.788 -2.115) 3.470 9.143 ( 0.556 -1.289 -3.637) 3.898 9.301 ( -0.035 0.349 2.538) 2.563 9.406 ( -3.490 -2.895 1.623) 4.816 ======================= Grid point 256 (131/136) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -3.836 6.361 -1.047) 7.502 1.859 ( 3.836 6.361 1.047) 7.502 2.006 ( 2.255 -3.220 -3.092) 5.001 2.006 ( -2.255 -3.220 3.092) 5.001 2.346 ( -0.718 0.814 -2.260) 2.507 2.346 ( 0.718 0.814 2.260) 2.507 2.393 ( 0.939 -0.397 -3.838) 3.971 2.393 ( -0.939 -0.397 3.838) 3.971 2.581 ( 1.993 -6.818 -7.012) 9.981 2.581 ( -1.993 -6.818 7.012) 9.981 2.756 ( 3.033 -7.685 -3.595) 9.010 2.756 ( -3.033 -7.685 3.595) 9.010 3.039 ( 2.105 -3.822 -1.958) 4.783 3.039 ( -2.105 -3.822 1.958) 4.783 3.422 ( 0.425 2.051 -1.639) 2.660 3.422 ( -0.425 2.051 1.639) 2.660 3.604 ( 0.132 -0.165 -2.171) 2.181 3.604 ( -0.132 -0.165 2.171) 2.181 3.980 ( 3.581 9.442 -3.621) 10.728 3.980 ( -3.581 9.442 3.621) 10.728 4.096 ( 1.792 7.600 -4.772) 9.151 4.096 ( -1.792 7.600 4.772) 9.151 4.567 ( -3.486 -2.813 -0.464) 4.503 4.567 ( 3.486 -2.813 0.464) 4.503 6.658 ( -2.903 3.589 -6.822) 8.237 6.658 ( 2.903 3.589 6.822) 8.237 6.725 ( -2.780 2.189 -5.598) 6.623 6.725 ( 2.780 2.189 5.598) 6.623 7.082 ( 2.965 -2.165 -5.863) 6.918 7.082 ( -2.965 -2.165 5.863) 6.918 7.209 ( 0.424 -1.988 -1.269) 2.397 7.209 ( -0.424 -1.988 1.269) 2.397 7.553 ( 3.139 7.119 -5.839) 9.728 7.553 ( -3.139 7.119 5.839) 9.728 7.623 ( 2.343 3.244 -3.170) 5.106 7.623 ( -2.343 3.244 3.170) 5.106 8.100 ( 0.605 5.487 -9.401) 10.902 8.100 ( -0.605 5.487 9.401) 10.902 8.474 ( -2.285 -5.629 -2.912) 6.737 8.474 ( 2.285 -5.629 2.912) 6.737 8.621 ( -0.805 -1.729 -6.278) 6.561 8.621 ( 0.805 -1.729 6.278) 6.561 8.843 ( 0.559 -3.873 -5.072) 6.406 8.843 ( -0.559 -3.873 5.072) 6.406 9.126 ( -1.081 -0.803 -1.459) 1.986 9.126 ( 1.081 -0.803 1.459) 1.986 9.337 ( -1.467 -2.270 -1.984) 3.352 9.337 ( 1.467 -2.270 1.984) 3.352 ======================= Grid point 261 (132/136) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -0.304 5.542 -3.547) 6.587 1.947 ( 0.304 5.542 3.547) 6.587 2.107 ( 1.071 2.609 -5.893) 6.533 2.107 ( -1.071 2.609 5.893) 6.533 2.256 ( -0.416 -2.565 -0.514) 2.648 2.256 ( 0.416 -2.565 0.514) 2.648 2.502 ( -0.525 -0.410 -4.576) 4.624 2.502 ( 0.525 -0.410 4.576) 4.624 2.546 ( -2.550 -0.367 -2.531) 3.611 2.546 ( 2.550 -0.367 2.531) 3.611 2.717 ( 0.224 -4.245 -2.521) 4.942 2.717 ( -0.224 -4.245 2.521) 4.942 3.105 ( -0.127 -0.985 -0.886) 1.330 3.105 ( 0.127 -0.985 0.886) 1.330 3.466 ( 0.159 2.303 -1.683) 2.857 3.466 ( -0.159 2.303 1.683) 2.857 3.596 ( -0.892 0.842 -1.280) 1.773 3.596 ( 0.892 0.842 1.280) 1.773 3.891 ( -3.284 0.753 -1.032) 3.524 3.891 ( 3.284 0.753 1.032) 3.524 4.072 ( -0.568 -1.276 -2.707) 3.046 4.072 ( 0.568 -1.276 2.707) 3.046 4.577 ( -0.585 0.745 -0.930) 1.327 4.577 ( 0.585 0.745 0.930) 1.327 6.620 ( 1.449 5.360 -3.343) 6.481 6.620 ( -1.449 5.360 3.343) 6.481 6.766 ( 1.232 -5.552 -3.068) 6.462 6.766 ( -1.232 -5.552 3.068) 6.462 7.195 ( -0.092 0.062 -1.010) 1.016 7.195 ( 0.092 0.062 1.010) 1.016 7.425 ( 0.388 3.147 -2.039) 3.770 7.425 ( -0.388 3.147 2.039) 3.770 7.613 ( 1.340 0.661 -1.443) 2.077 7.613 ( -1.340 0.661 1.443) 2.077 7.782 ( -0.075 1.522 -2.170) 2.652 7.782 ( 0.075 1.522 2.170) 2.652 7.870 ( -1.305 1.809 -5.377) 5.821 7.870 ( 1.305 1.809 5.377) 5.821 8.444 ( 0.252 -3.698 -1.506) 4.001 8.444 ( -0.252 -3.698 1.506) 4.001 8.566 ( -0.738 0.527 -4.906) 4.989 8.566 ( 0.738 0.527 4.906) 4.989 8.720 ( -0.648 -3.573 -4.834) 6.046 8.720 ( 0.648 -3.573 4.834) 6.046 9.219 ( -1.212 1.694 -1.996) 2.885 9.219 ( 1.212 1.694 1.996) 2.885 9.380 ( -1.356 -0.793 -2.340) 2.819 9.380 ( 1.356 -0.793 2.340) 2.819 ======================= Grid point 263 (133/136) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.824 7.382 -4.936) 8.918 1.964 ( 0.469 3.625 2.387) 4.366 2.082 ( -2.741 4.099 4.599) 6.742 2.114 ( 0.543 1.621 -6.171) 6.404 2.244 ( 0.042 -2.535 -1.540) 2.967 2.266 ( 0.832 -3.622 -0.501) 3.750 2.440 ( -2.564 0.435 -5.626) 6.198 2.468 ( -1.285 -1.156 -5.151) 5.434 2.557 ( 0.629 1.344 5.087) 5.299 2.606 ( 1.155 -2.902 5.360) 6.203 2.683 ( -2.538 -2.098 1.442) 3.595 2.746 ( 1.019 -6.164 0.159) 6.250 3.068 ( -3.032 0.045 -0.607) 3.092 3.091 ( -1.951 -2.086 0.496) 2.898 3.405 ( -2.096 2.544 0.823) 3.397 3.451 ( -1.762 -1.716 -0.039) 2.460 3.586 ( -1.101 2.425 1.245) 2.940 3.616 ( -1.046 -0.425 0.953) 1.477 3.863 ( 2.411 6.364 -1.994) 7.091 3.966 ( 4.117 -2.879 -1.004) 5.123 4.100 ( 2.798 1.771 -0.705) 3.385 4.145 ( 4.969 -1.770 2.476) 5.827 4.547 ( -1.797 2.765 -0.463) 3.330 4.592 ( 0.236 -1.597 0.253) 1.634 6.569 ( -2.082 4.665 2.116) 5.529 6.651 ( -0.881 -0.790 0.508) 1.288 6.731 ( 1.613 1.822 -2.754) 3.675 6.841 ( 4.323 -6.010 -3.826) 8.334 7.137 ( -4.308 1.603 -0.673) 4.646 7.149 ( -3.234 0.186 -1.105) 3.422 7.385 ( -3.668 2.669 0.106) 4.537 7.418 ( -2.868 0.089 -0.897) 3.007 7.615 ( 1.696 3.403 -4.798) 6.122 7.650 ( 2.036 0.382 -7.047) 7.345 7.766 ( -1.097 2.023 2.922) 3.719 7.780 ( -0.396 0.925 5.175) 5.272 7.889 ( 3.436 3.189 2.453) 5.291 7.932 ( 2.604 -0.358 8.288) 8.694 8.429 ( -0.592 -0.751 6.429) 6.500 8.486 ( 2.036 -6.071 6.140) 8.871 8.553 ( 1.662 2.134 -9.713) 10.082 8.608 ( 2.474 -2.801 -4.370) 5.750 8.679 ( -2.027 0.300 1.174) 2.362 8.751 ( 0.528 -5.532 3.271) 6.449 9.152 ( -3.630 2.817 -4.973) 6.771 9.195 ( -2.930 -1.178 -4.127) 5.197 9.364 ( -0.461 2.038 1.940) 2.851 9.409 ( 0.225 -2.344 3.605) 4.306 ======================= Grid point 264 (134/136) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -0.389 9.278 -5.204) 10.645 1.970 ( -1.026 3.770 2.227) 4.498 2.023 ( -2.669 0.768 1.299) 3.066 2.089 ( -2.381 -2.318 -1.114) 3.505 2.271 ( 2.943 -0.920 -2.618) 4.045 2.293 ( 2.261 -3.155 -1.570) 4.187 2.399 ( -0.162 1.783 -5.485) 5.770 2.446 ( 0.642 -1.854 -7.563) 7.814 2.555 ( -2.990 2.053 4.932) 6.122 2.612 ( -2.465 -0.242 3.790) 4.527 2.626 ( -2.230 -4.074 3.823) 6.016 2.728 ( -3.345 -9.458 1.183) 10.102 3.007 ( -2.036 1.249 -1.110) 2.634 3.047 ( -2.032 -2.687 0.416) 3.394 3.387 ( -0.040 3.696 0.461) 3.725 3.456 ( 1.236 -2.815 0.987) 3.229 3.557 ( -0.789 1.608 1.299) 2.212 3.592 ( -0.745 -1.523 1.259) 2.112 3.944 ( 5.129 7.109 -2.334) 9.071 4.051 ( 4.543 -3.039 -2.112) 5.859 4.155 ( 2.672 5.891 0.765) 6.513 4.235 ( 2.613 -0.902 3.516) 4.473 4.508 ( -1.775 3.523 -0.909) 4.048 4.585 ( -1.033 -3.657 0.098) 3.802 6.560 ( 0.788 3.166 2.922) 4.380 6.628 ( -0.620 -3.220 2.171) 3.933 6.780 ( 3.227 6.020 -5.755) 8.932 6.909 ( 3.425 -6.008 -6.225) 9.305 7.050 ( -4.234 4.708 0.064) 6.332 7.104 ( -0.952 -0.896 0.013) 1.308 7.280 ( -6.215 0.856 0.339) 6.283 7.314 ( -6.464 -1.862 -1.742) 6.949 7.627 ( 1.099 3.815 -7.741) 8.699 7.646 ( 0.194 2.128 -6.860) 7.185 7.752 ( -2.053 2.979 6.165) 7.148 7.784 ( -1.674 -0.230 7.462) 7.651 7.990 ( 5.251 1.809 3.860) 6.763 8.024 ( 5.034 -0.108 6.924) 8.561 8.447 ( -0.177 2.303 5.868) 6.306 8.526 ( 0.725 -1.890 -0.459) 2.076 8.580 ( -0.558 -2.709 -3.776) 4.680 8.613 ( 2.189 -4.130 -1.124) 4.807 8.675 ( 0.905 1.381 0.775) 1.825 8.754 ( -0.534 -5.280 0.687) 5.351 9.082 ( -1.549 2.114 -4.829) 5.494 9.126 ( -1.984 -1.985 -5.013) 5.745 9.351 ( -1.668 2.197 2.759) 3.901 9.400 ( -2.023 -2.606 3.071) 4.508 ======================= Grid point 265 (135/136) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.251 7.222 -0.837) 7.378 1.944 ( -0.047 3.431 -0.558) 3.476 2.006 ( -0.848 -1.189 0.052) 1.462 2.019 ( -3.930 -4.483 0.194) 5.965 2.322 ( 2.388 0.103 -0.649) 2.476 2.341 ( 2.295 -1.728 -0.008) 2.873 2.401 ( 1.144 3.071 -5.874) 6.727 2.440 ( -0.532 -1.032 -6.902) 6.999 2.470 ( -3.331 0.494 0.107) 3.369 2.566 ( -3.914 -1.583 4.394) 6.094 2.592 ( -1.446 -4.527 2.772) 5.502 2.656 ( -3.403 -7.943 3.025) 9.155 2.989 ( 0.137 0.664 -1.009) 1.215 3.017 ( -1.246 -2.086 0.490) 2.478 3.407 ( 2.057 3.685 0.228) 4.227 3.473 ( -0.000 -2.334 1.599) 2.829 3.571 ( 1.261 0.804 0.534) 1.588 3.597 ( 0.323 -1.380 0.494) 1.501 4.040 ( 5.293 6.618 -2.796) 8.924 4.126 ( 3.292 -1.610 -1.732) 4.053 4.201 ( 1.200 6.419 2.518) 6.999 4.251 ( -1.732 2.783 3.070) 4.492 4.484 ( -0.066 1.069 -0.713) 1.287 4.551 ( -2.278 -4.423 -0.487) 4.999 6.618 ( 3.907 2.045 4.564) 6.347 6.655 ( 2.539 -1.620 3.850) 4.888 6.806 ( 0.622 5.928 -7.682) 9.723 6.893 ( -4.166 -0.311 -8.047) 9.066 7.002 ( 0.289 1.634 0.331) 1.692 7.091 ( -2.199 -5.198 0.616) 5.677 7.172 ( -3.031 1.160 0.946) 3.380 7.208 ( -3.144 -2.106 0.645) 3.839 7.631 ( 1.555 3.541 -7.031) 8.024 7.646 ( 1.505 2.709 -5.247) 6.094 7.713 ( -3.206 3.284 6.007) 7.560 7.744 ( -3.841 -0.097 6.365) 7.435 8.106 ( 5.470 3.076 4.128) 7.511 8.151 ( 5.771 -0.088 4.145) 7.106 8.406 ( -4.179 1.601 -1.139) 4.618 8.474 ( -5.174 -3.960 -4.489) 7.912 8.579 ( 1.718 2.728 4.896) 5.862 8.651 ( -0.316 -1.585 -1.843) 2.451 8.710 ( 2.297 -3.414 3.792) 5.596 8.752 ( 0.701 -4.531 -3.786) 5.946 9.078 ( 1.868 0.985 -2.503) 3.275 9.109 ( 1.105 -1.853 -3.181) 3.843 9.314 ( -2.360 1.126 2.171) 3.399 9.350 ( -3.355 -2.415 2.012) 4.598 ======================= Grid point 266 (136/136) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -2.362 -1.297 0.106) 2.697 1.937 ( 2.362 -1.297 -0.106) 2.697 1.978 ( -2.117 2.913 -0.452) 3.629 1.978 ( 2.117 2.913 0.452) 3.629 2.363 ( -1.882 0.936 -0.439) 2.147 2.363 ( 1.882 0.936 0.439) 2.147 2.391 ( -0.531 -0.081 -3.396) 3.438 2.391 ( 0.531 -0.081 3.396) 3.438 2.493 ( 3.998 -2.022 -5.824) 7.348 2.493 ( -3.998 -2.022 5.824) 7.348 2.606 ( 2.072 -5.291 -1.281) 5.824 2.606 ( -2.072 -5.291 1.281) 5.824 2.998 ( 0.749 -0.782 -0.755) 1.320 2.998 ( -0.749 -0.782 0.755) 1.320 3.456 ( 0.300 1.068 -0.608) 1.265 3.456 ( -0.300 1.068 0.608) 1.265 3.592 ( -0.301 -0.627 -0.663) 0.961 3.592 ( 0.301 -0.627 0.663) 0.961 4.131 ( 3.721 4.282 -3.166) 6.496 4.131 ( -3.721 4.282 3.166) 6.496 4.219 ( -0.234 4.080 -2.160) 4.622 4.219 ( 0.234 4.080 2.160) 4.622 4.504 ( -1.739 -2.693 -0.772) 3.297 4.504 ( 1.739 -2.693 0.772) 3.297 6.707 ( -1.391 1.173 -2.371) 2.989 6.707 ( 1.391 1.173 2.371) 2.989 6.786 ( -1.934 2.744 -1.422) 3.646 6.786 ( 1.934 2.744 1.422) 3.646 7.029 ( 2.185 -2.310 -1.852) 3.680 7.029 ( -2.185 -2.310 1.852) 3.680 7.173 ( 1.258 -1.106 -1.053) 1.979 7.173 ( -1.258 -1.106 1.053) 1.979 7.659 ( 2.411 3.150 -5.197) 6.538 7.659 ( -2.411 3.150 5.197) 6.538 7.685 ( 2.442 1.734 -4.769) 5.632 7.685 ( -2.442 1.734 4.769) 5.632 8.211 ( -1.250 4.289 -4.384) 6.259 8.211 ( 1.250 4.289 4.384) 6.259 8.365 ( -2.878 -4.012 -3.242) 5.907 8.365 ( 2.878 -4.012 3.242) 5.907 8.623 ( -0.369 1.775 -7.608) 7.821 8.623 ( 0.369 1.775 7.608) 7.821 8.748 ( 0.086 -4.704 -6.462) 7.993 8.748 ( -0.086 -4.704 6.462) 7.993 9.115 ( -0.791 -0.243 -0.562) 1.000 9.115 ( 0.791 -0.243 0.562) 1.000 9.298 ( -0.395 -1.165 -0.957) 1.558 9.298 ( 0.394 -1.165 0.957) 1.558 =================== 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 3/21504 10.0 763.788 534.958 672.351 0.000 35.905 0.000 3/21504 20.0 116.294 137.020 100.479 0.000 3.922 0.000 3/21504 30.0 42.085 55.822 39.871 0.000 0.170 0.000 3/21504 40.0 23.451 32.593 23.392 0.000 -0.207 0.000 3/21504 50.0 15.955 22.626 16.362 0.000 -0.251 0.000 3/21504 60.0 11.995 17.149 12.513 0.000 -0.233 0.000 3/21504 70.0 9.556 13.696 10.095 0.000 -0.204 0.000 3/21504 80.0 7.911 11.341 8.447 0.000 -0.176 0.000 3/21504 90.0 6.737 9.649 7.261 0.000 -0.152 0.000 3/21504 100.0 5.861 8.384 6.371 0.000 -0.132 0.000 3/21504 110.0 5.186 7.410 5.682 0.000 -0.116 0.000 3/21504 120.0 4.651 6.639 5.133 0.000 -0.103 0.000 3/21504 130.0 4.218 6.016 4.685 0.000 -0.093 0.000 3/21504 140.0 3.861 5.502 4.312 0.000 -0.084 0.000 3/21504 150.0 3.561 5.071 3.997 0.000 -0.077 0.000 3/21504 160.0 3.305 4.704 3.728 0.000 -0.071 0.000 3/21504 170.0 3.085 4.389 3.494 0.000 -0.065 0.000 3/21504 180.0 2.894 4.114 3.289 0.000 -0.061 0.000 3/21504 190.0 2.725 3.873 3.107 0.000 -0.057 0.000 3/21504 200.0 2.576 3.660 2.946 0.000 -0.053 0.000 3/21504 210.0 2.443 3.470 2.801 0.000 -0.050 0.000 3/21504 220.0 2.323 3.299 2.670 0.000 -0.048 0.000 3/21504 230.0 2.215 3.144 2.551 0.000 -0.045 0.000 3/21504 240.0 2.116 3.004 2.442 0.000 -0.043 0.000 3/21504 250.0 2.027 2.877 2.343 0.000 -0.041 0.000 3/21504 260.0 1.944 2.760 2.251 0.000 -0.039 0.000 3/21504 270.0 1.869 2.652 2.167 0.000 -0.038 0.000 3/21504 280.0 1.799 2.553 2.089 0.000 -0.036 0.000 3/21504 290.0 1.734 2.461 2.016 0.000 -0.035 0.000 3/21504 300.0 1.674 2.375 1.948 0.000 -0.033 0.000 3/21504 310.0 1.618 2.296 1.885 0.000 -0.032 0.000 3/21504 320.0 1.566 2.221 1.826 0.000 -0.031 0.000 3/21504 330.0 1.517 2.152 1.771 0.000 -0.030 0.000 3/21504 340.0 1.471 2.086 1.718 0.000 -0.029 0.000 3/21504 350.0 1.428 2.025 1.669 0.000 -0.028 0.000 3/21504 360.0 1.387 1.967 1.623 0.000 -0.027 0.000 3/21504 370.0 1.349 1.913 1.579 0.000 -0.027 0.000 3/21504 380.0 1.313 1.861 1.537 0.000 -0.026 0.000 3/21504 390.0 1.278 1.813 1.498 0.000 -0.025 0.000 3/21504 400.0 1.246 1.766 1.461 0.000 -0.025 0.000 3/21504 410.0 1.215 1.722 1.425 0.000 -0.024 0.000 3/21504 420.0 1.185 1.681 1.391 0.000 -0.023 0.000 3/21504 430.0 1.157 1.641 1.359 0.000 -0.023 0.000 3/21504 440.0 1.131 1.603 1.328 0.000 -0.022 0.000 3/21504 450.0 1.105 1.567 1.299 0.000 -0.022 0.000 3/21504 460.0 1.081 1.532 1.271 0.000 -0.021 0.000 3/21504 470.0 1.058 1.499 1.244 0.000 -0.021 0.000 3/21504 480.0 1.035 1.468 1.218 0.000 -0.020 0.000 3/21504 490.0 1.014 1.437 1.193 0.000 -0.020 0.000 3/21504 500.0 0.993 1.408 1.169 0.000 -0.019 0.000 3/21504 510.0 0.974 1.380 1.147 0.000 -0.019 0.000 3/21504 520.0 0.955 1.354 1.125 0.000 -0.019 0.000 3/21504 530.0 0.937 1.328 1.104 0.000 -0.018 0.000 3/21504 540.0 0.919 1.303 1.083 0.000 -0.018 0.000 3/21504 550.0 0.902 1.279 1.064 0.000 -0.018 0.000 3/21504 560.0 0.886 1.256 1.045 0.000 -0.017 0.000 3/21504 570.0 0.871 1.234 1.026 0.000 -0.017 0.000 3/21504 580.0 0.855 1.213 1.009 0.000 -0.017 0.000 3/21504 590.0 0.841 1.192 0.992 0.000 -0.016 0.000 3/21504 600.0 0.827 1.172 0.975 0.000 -0.016 0.000 3/21504 610.0 0.813 1.153 0.959 0.000 -0.016 0.000 3/21504 620.0 0.800 1.134 0.944 0.000 -0.016 0.000 3/21504 630.0 0.787 1.116 0.929 0.000 -0.015 0.000 3/21504 640.0 0.775 1.098 0.915 0.000 -0.015 0.000 3/21504 650.0 0.763 1.081 0.901 0.000 -0.015 0.000 3/21504 660.0 0.751 1.065 0.887 0.000 -0.015 0.000 3/21504 670.0 0.740 1.049 0.874 0.000 -0.014 0.000 3/21504 680.0 0.729 1.033 0.861 0.000 -0.014 0.000 3/21504 690.0 0.719 1.018 0.849 0.000 -0.014 0.000 3/21504 700.0 0.708 1.004 0.837 0.000 -0.014 0.000 3/21504 710.0 0.698 0.990 0.825 0.000 -0.014 0.000 3/21504 720.0 0.688 0.976 0.814 0.000 -0.013 0.000 3/21504 730.0 0.679 0.962 0.802 0.000 -0.013 0.000 3/21504 740.0 0.670 0.949 0.792 0.000 -0.013 0.000 3/21504 750.0 0.661 0.937 0.781 0.000 -0.013 0.000 3/21504 760.0 0.652 0.924 0.771 0.000 -0.013 0.000 3/21504 770.0 0.644 0.912 0.761 0.000 -0.013 0.000 3/21504 780.0 0.635 0.901 0.751 0.000 -0.012 0.000 3/21504 790.0 0.627 0.889 0.742 0.000 -0.012 0.000 3/21504 800.0 0.620 0.878 0.733 0.000 -0.012 0.000 3/21504 810.0 0.612 0.867 0.724 0.000 -0.012 0.000 3/21504 820.0 0.604 0.857 0.715 0.000 -0.012 0.000 3/21504 830.0 0.597 0.846 0.706 0.000 -0.012 0.000 3/21504 840.0 0.590 0.836 0.698 0.000 -0.012 0.000 3/21504 850.0 0.583 0.826 0.690 0.000 -0.011 0.000 3/21504 860.0 0.576 0.817 0.682 0.000 -0.011 0.000 3/21504 870.0 0.570 0.807 0.674 0.000 -0.011 0.000 3/21504 880.0 0.563 0.798 0.666 0.000 -0.011 0.000 3/21504 890.0 0.557 0.789 0.659 0.000 -0.011 0.000 3/21504 900.0 0.551 0.780 0.652 0.000 -0.011 0.000 3/21504 910.0 0.545 0.772 0.644 0.000 -0.011 0.000 3/21504 920.0 0.539 0.763 0.638 0.000 -0.011 0.000 3/21504 930.0 0.533 0.755 0.631 0.000 -0.010 0.000 3/21504 940.0 0.527 0.747 0.624 0.000 -0.010 0.000 3/21504 950.0 0.522 0.739 0.617 0.000 -0.010 0.000 3/21504 960.0 0.516 0.732 0.611 0.000 -0.010 0.000 3/21504 970.0 0.511 0.724 0.605 0.000 -0.010 0.000 3/21504 980.0 0.506 0.717 0.599 0.000 -0.010 0.000 3/21504 990.0 0.501 0.709 0.593 0.000 -0.010 0.000 3/21504 1000.0 0.496 0.702 0.587 0.000 -0.010 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m878.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:42:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|