----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:18]------------------------- 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 6.739748588180115 0.000000000000000 0.000000000000000 b 0.000000000000000 6.335553320000000 0.000000000000000 c -5.774496297175457 0.000000000000000 10.926767836343242 Atomic positions (fractional): *1 Na 0.76731185004144 0.83804297699680 0.46124789696714 22.990 2 Na 0.23268814995856 0.33804297699680 0.03875210303286 22.990 3 Na 0.23268814995856 0.16195702300320 0.53875210303286 22.990 4 Na 0.76731185004144 0.66195702300320 0.96124789696714 22.990 *5 Na 0.76967936813294 0.09901456469936 0.17550004508222 22.990 6 Na 0.23032063186706 0.59901456469936 0.32449995491778 22.990 7 Na 0.23032063186706 0.90098543530064 0.82449995491778 22.990 8 Na 0.76967936813294 0.40098543530064 0.67550004508222 22.990 *9 Sb 0.71250544052802 0.33942253106279 0.39870029921479 121.760 10 Sb 0.28749455947198 0.83942253106279 0.10129970078521 121.760 11 Sb 0.28749455947198 0.66057746893721 0.60129970078521 121.760 12 Sb 0.71250544052802 0.16057746893721 0.89870029921479 121.760 *13 Sb 0.69338659803467 0.59762890563769 0.20390241696379 121.760 14 Sb 0.30661340196533 0.09762890563769 0.29609758303621 121.760 15 Sb 0.30661340196533 0.40237109436231 0.79609758303621 121.760 16 Sb 0.69338659803467 0.90237109436231 0.70390241696379 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.739748588180115 0.000000000000000 0.000000000000000 b 0.000000000000000 6.335553320000000 0.000000000000000 c -5.774496297175457 0.000000000000000 10.926767836343242 Atomic positions (fractional): *1 Na 0.76731185004144 0.83804297699680 0.46124789696714 22.990 > 1 2 Na 0.23268814995856 0.33804297699680 0.03875210303286 22.990 > 2 3 Na 0.23268814995856 0.16195702300320 0.53875210303286 22.990 > 3 4 Na 0.76731185004144 0.66195702300320 0.96124789696714 22.990 > 4 *5 Na 0.76967936813294 0.09901456469936 0.17550004508222 22.990 > 5 6 Na 0.23032063186706 0.59901456469936 0.32449995491778 22.990 > 6 7 Na 0.23032063186706 0.90098543530064 0.82449995491778 22.990 > 7 8 Na 0.76967936813294 0.40098543530064 0.67550004508222 22.990 > 8 *9 Sb 0.71250544052802 0.33942253106279 0.39870029921479 121.760 > 9 10 Sb 0.28749455947198 0.83942253106279 0.10129970078521 121.760 > 10 11 Sb 0.28749455947198 0.66057746893721 0.60129970078521 121.760 > 11 12 Sb 0.71250544052802 0.16057746893721 0.89870029921479 121.760 > 12 *13 Sb 0.69338659803467 0.59762890563769 0.20390241696379 121.760 > 13 14 Sb 0.30661340196533 0.09762890563769 0.29609758303621 121.760 > 14 15 Sb 0.30661340196533 0.40237109436231 0.79609758303621 121.760 > 15 16 Sb 0.69338659803467 0.90237109436231 0.70390241696379 121.760 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.479497176360230 0.000000000000000 0.000000000000000 b 0.000000000000000 12.671106640000000 0.000000000000000 c -11.548992594350914 0.000000000000000 21.853535672686483 Atomic positions (fractional): *1 Na 0.38365592502072 0.41902148849840 0.23062394848357 22.990 > 1 2 Na 0.88365592502072 0.41902148849840 0.23062394848357 22.990 > 1 3 Na 0.38365592502072 0.91902148849840 0.23062394848357 22.990 > 1 4 Na 0.88365592502072 0.91902148849840 0.23062394848357 22.990 > 1 5 Na 0.38365592502072 0.41902148849840 0.73062394848357 22.990 > 1 6 Na 0.88365592502072 0.41902148849840 0.73062394848357 22.990 > 1 7 Na 0.38365592502072 0.91902148849840 0.73062394848357 22.990 > 1 8 Na 0.88365592502072 0.91902148849840 0.73062394848357 22.990 > 1 9 Na 0.11634407497928 0.16902148849840 0.01937605151643 22.990 > 2 10 Na 0.61634407497928 0.16902148849840 0.01937605151643 22.990 > 2 11 Na 0.11634407497928 0.66902148849840 0.01937605151643 22.990 > 2 12 Na 0.61634407497928 0.66902148849840 0.01937605151643 22.990 > 2 13 Na 0.11634407497928 0.16902148849840 0.51937605151643 22.990 > 2 14 Na 0.61634407497928 0.16902148849840 0.51937605151643 22.990 > 2 15 Na 0.11634407497928 0.66902148849840 0.51937605151643 22.990 > 2 16 Na 0.61634407497928 0.66902148849840 0.51937605151643 22.990 > 2 17 Na 0.11634407497928 0.08097851150160 0.26937605151643 22.990 > 3 18 Na 0.61634407497928 0.08097851150160 0.26937605151643 22.990 > 3 19 Na 0.11634407497928 0.58097851150160 0.26937605151643 22.990 > 3 20 Na 0.61634407497928 0.58097851150160 0.26937605151643 22.990 > 3 21 Na 0.11634407497928 0.08097851150160 0.76937605151643 22.990 > 3 22 Na 0.61634407497928 0.08097851150160 0.76937605151643 22.990 > 3 23 Na 0.11634407497928 0.58097851150160 0.76937605151643 22.990 > 3 24 Na 0.61634407497928 0.58097851150160 0.76937605151643 22.990 > 3 25 Na 0.38365592502072 0.33097851150160 0.48062394848357 22.990 > 4 26 Na 0.88365592502072 0.33097851150160 0.48062394848357 22.990 > 4 27 Na 0.38365592502072 0.83097851150160 0.48062394848357 22.990 > 4 28 Na 0.88365592502072 0.83097851150160 0.48062394848357 22.990 > 4 29 Na 0.38365592502072 0.33097851150160 0.98062394848357 22.990 > 4 30 Na 0.88365592502072 0.33097851150160 0.98062394848357 22.990 > 4 31 Na 0.38365592502072 0.83097851150160 0.98062394848357 22.990 > 4 32 Na 0.88365592502072 0.83097851150160 0.98062394848357 22.990 > 4 *33 Na 0.38483968406647 0.04950728234968 0.08775002254111 22.990 > 5 34 Na 0.88483968406647 0.04950728234968 0.08775002254111 22.990 > 5 35 Na 0.38483968406647 0.54950728234968 0.08775002254111 22.990 > 5 36 Na 0.88483968406647 0.54950728234968 0.08775002254111 22.990 > 5 37 Na 0.38483968406647 0.04950728234968 0.58775002254111 22.990 > 5 38 Na 0.88483968406647 0.04950728234968 0.58775002254111 22.990 > 5 39 Na 0.38483968406647 0.54950728234968 0.58775002254111 22.990 > 5 40 Na 0.88483968406647 0.54950728234968 0.58775002254111 22.990 > 5 41 Na 0.11516031593353 0.29950728234968 0.16224997745889 22.990 > 6 42 Na 0.61516031593353 0.29950728234968 0.16224997745889 22.990 > 6 43 Na 0.11516031593353 0.79950728234968 0.16224997745889 22.990 > 6 44 Na 0.61516031593353 0.79950728234968 0.16224997745889 22.990 > 6 45 Na 0.11516031593353 0.29950728234968 0.66224997745889 22.990 > 6 46 Na 0.61516031593353 0.29950728234968 0.66224997745889 22.990 > 6 47 Na 0.11516031593353 0.79950728234968 0.66224997745889 22.990 > 6 48 Na 0.61516031593353 0.79950728234968 0.66224997745889 22.990 > 6 49 Na 0.11516031593353 0.45049271765032 0.41224997745889 22.990 > 7 50 Na 0.61516031593353 0.45049271765032 0.41224997745889 22.990 > 7 51 Na 0.11516031593353 0.95049271765032 0.41224997745889 22.990 > 7 52 Na 0.61516031593353 0.95049271765032 0.41224997745889 22.990 > 7 53 Na 0.11516031593353 0.45049271765032 0.91224997745889 22.990 > 7 54 Na 0.61516031593353 0.45049271765032 0.91224997745889 22.990 > 7 55 Na 0.11516031593353 0.95049271765032 0.91224997745889 22.990 > 7 56 Na 0.61516031593353 0.95049271765032 0.91224997745889 22.990 > 7 57 Na 0.38483968406647 0.20049271765032 0.33775002254111 22.990 > 8 58 Na 0.88483968406647 0.20049271765032 0.33775002254111 22.990 > 8 59 Na 0.38483968406647 0.70049271765032 0.33775002254111 22.990 > 8 60 Na 0.88483968406647 0.70049271765032 0.33775002254111 22.990 > 8 61 Na 0.38483968406647 0.20049271765032 0.83775002254111 22.990 > 8 62 Na 0.88483968406647 0.20049271765032 0.83775002254111 22.990 > 8 63 Na 0.38483968406647 0.70049271765032 0.83775002254111 22.990 > 8 64 Na 0.88483968406647 0.70049271765032 0.83775002254111 22.990 > 8 *65 Sb 0.35625272026401 0.16971126553140 0.19935014960739 121.760 > 9 66 Sb 0.85625272026401 0.16971126553140 0.19935014960739 121.760 > 9 67 Sb 0.35625272026401 0.66971126553140 0.19935014960739 121.760 > 9 68 Sb 0.85625272026401 0.66971126553140 0.19935014960739 121.760 > 9 69 Sb 0.35625272026401 0.16971126553140 0.69935014960739 121.760 > 9 70 Sb 0.85625272026401 0.16971126553140 0.69935014960739 121.760 > 9 71 Sb 0.35625272026401 0.66971126553140 0.69935014960739 121.760 > 9 72 Sb 0.85625272026401 0.66971126553140 0.69935014960739 121.760 > 9 73 Sb 0.14374727973599 0.41971126553140 0.05064985039261 121.760 > 10 74 Sb 0.64374727973599 0.41971126553140 0.05064985039261 121.760 > 10 75 Sb 0.14374727973599 0.91971126553140 0.05064985039261 121.760 > 10 76 Sb 0.64374727973599 0.91971126553140 0.05064985039261 121.760 > 10 77 Sb 0.14374727973599 0.41971126553140 0.55064985039261 121.760 > 10 78 Sb 0.64374727973599 0.41971126553140 0.55064985039261 121.760 > 10 79 Sb 0.14374727973599 0.91971126553140 0.55064985039261 121.760 > 10 80 Sb 0.64374727973599 0.91971126553140 0.55064985039261 121.760 > 10 81 Sb 0.14374727973599 0.33028873446860 0.30064985039261 121.760 > 11 82 Sb 0.64374727973599 0.33028873446860 0.30064985039261 121.760 > 11 83 Sb 0.14374727973599 0.83028873446860 0.30064985039261 121.760 > 11 84 Sb 0.64374727973599 0.83028873446860 0.30064985039261 121.760 > 11 85 Sb 0.14374727973599 0.33028873446860 0.80064985039261 121.760 > 11 86 Sb 0.64374727973599 0.33028873446860 0.80064985039261 121.760 > 11 87 Sb 0.14374727973599 0.83028873446860 0.80064985039261 121.760 > 11 88 Sb 0.64374727973599 0.83028873446860 0.80064985039261 121.760 > 11 89 Sb 0.35625272026401 0.08028873446860 0.44935014960739 121.760 > 12 90 Sb 0.85625272026401 0.08028873446860 0.44935014960739 121.760 > 12 91 Sb 0.35625272026401 0.58028873446860 0.44935014960739 121.760 > 12 92 Sb 0.85625272026401 0.58028873446860 0.44935014960739 121.760 > 12 93 Sb 0.35625272026401 0.08028873446860 0.94935014960739 121.760 > 12 94 Sb 0.85625272026401 0.08028873446860 0.94935014960739 121.760 > 12 95 Sb 0.35625272026401 0.58028873446860 0.94935014960739 121.760 > 12 96 Sb 0.85625272026401 0.58028873446860 0.94935014960739 121.760 > 12 *97 Sb 0.34669329901733 0.29881445281884 0.10195120848189 121.760 > 13 98 Sb 0.84669329901733 0.29881445281884 0.10195120848189 121.760 > 13 99 Sb 0.34669329901733 0.79881445281884 0.10195120848189 121.760 > 13 100 Sb 0.84669329901733 0.79881445281884 0.10195120848189 121.760 > 13 101 Sb 0.34669329901733 0.29881445281884 0.60195120848189 121.760 > 13 102 Sb 0.84669329901733 0.29881445281884 0.60195120848189 121.760 > 13 103 Sb 0.34669329901733 0.79881445281884 0.60195120848189 121.760 > 13 104 Sb 0.84669329901733 0.79881445281884 0.60195120848189 121.760 > 13 105 Sb 0.15330670098267 0.04881445281884 0.14804879151811 121.760 > 14 106 Sb 0.65330670098267 0.04881445281884 0.14804879151811 121.760 > 14 107 Sb 0.15330670098267 0.54881445281884 0.14804879151811 121.760 > 14 108 Sb 0.65330670098267 0.54881445281884 0.14804879151811 121.760 > 14 109 Sb 0.15330670098267 0.04881445281884 0.64804879151811 121.760 > 14 110 Sb 0.65330670098267 0.04881445281884 0.64804879151811 121.760 > 14 111 Sb 0.15330670098267 0.54881445281884 0.64804879151811 121.760 > 14 112 Sb 0.65330670098267 0.54881445281884 0.64804879151811 121.760 > 14 113 Sb 0.15330670098267 0.20118554718116 0.39804879151811 121.760 > 15 114 Sb 0.65330670098267 0.20118554718116 0.39804879151811 121.760 > 15 115 Sb 0.15330670098267 0.70118554718116 0.39804879151811 121.760 > 15 116 Sb 0.65330670098267 0.70118554718116 0.39804879151811 121.760 > 15 117 Sb 0.15330670098267 0.20118554718116 0.89804879151811 121.760 > 15 118 Sb 0.65330670098267 0.20118554718116 0.89804879151811 121.760 > 15 119 Sb 0.15330670098267 0.70118554718116 0.89804879151811 121.760 > 15 120 Sb 0.65330670098267 0.70118554718116 0.89804879151811 121.760 > 15 121 Sb 0.34669329901733 0.45118554718116 0.35195120848189 121.760 > 16 122 Sb 0.84669329901733 0.45118554718116 0.35195120848189 121.760 > 16 123 Sb 0.34669329901733 0.95118554718116 0.35195120848189 121.760 > 16 124 Sb 0.84669329901733 0.95118554718116 0.35195120848189 121.760 > 16 125 Sb 0.34669329901733 0.45118554718116 0.85195120848189 121.760 > 16 126 Sb 0.84669329901733 0.45118554718116 0.85195120848189 121.760 > 16 127 Sb 0.34669329901733 0.95118554718116 0.85195120848189 121.760 > 16 128 Sb 0.84669329901733 0.95118554718116 0.85195120848189 121.760 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.0914781 0.0000000 2.1165555 0.0000000 16.7569714 0.0000000 2.1164611 0.0000000 13.5138569 -------------------------- Born effective charges -------------------------- 1 Na 1.1259359 -0.1493156 -0.0393959 -0.2605372 1.3462096 0.0847808 0.0862309 -0.0608632 1.3869516 2 Na 1.1259359 0.1493156 -0.0393959 0.2605372 1.3462096 -0.0847808 0.0862309 0.0608632 1.3869516 3 Na 1.1259359 -0.1493156 -0.0393959 -0.2605372 1.3462096 0.0847808 0.0862309 -0.0608632 1.3869516 4 Na 1.1259359 0.1493156 -0.0393959 0.2605372 1.3462096 -0.0847808 0.0862309 0.0608632 1.3869516 5 Na 1.4695354 0.0348860 -0.0352268 0.0900630 1.2827933 0.0916798 -0.2157834 -0.0532321 0.9924856 6 Na 1.4695354 -0.0348860 -0.0352268 -0.0900630 1.2827933 -0.0916798 -0.2157834 0.0532321 0.9924856 7 Na 1.4695354 0.0348860 -0.0352268 0.0900630 1.2827933 0.0916798 -0.2157834 -0.0532321 0.9924856 8 Na 1.4695354 -0.0348860 -0.0352268 -0.0900630 1.2827933 -0.0916798 -0.2157834 0.0532321 0.9924856 9 Sb -0.9515417 0.5972840 -0.0736743 0.3426054 -1.3192475 -0.0980767 -0.0705756 -0.3424930 -1.2002770 10 Sb -0.9515417 -0.5972840 -0.0736743 -0.3426054 -1.3192475 0.0980767 -0.0705756 0.3424930 -1.2002770 11 Sb -0.9515417 0.5972840 -0.0736743 0.3426054 -1.3192475 -0.0980767 -0.0705756 -0.3424930 -1.2002770 12 Sb -0.9515417 -0.5972840 -0.0736743 -0.3426054 -1.3192475 0.0980767 -0.0705756 0.3424930 -1.2002770 13 Sb -1.6439296 -0.5852062 0.1482971 -0.2612602 -1.3097553 0.0334517 0.2001281 -0.4117003 -1.1791603 14 Sb -1.6439296 0.5852062 0.1482971 0.2612602 -1.3097553 -0.0334517 0.2001281 0.4117003 -1.1791603 15 Sb -1.6439296 -0.5852062 0.1482971 -0.2612602 -1.3097553 0.0334517 0.2001281 -0.4117003 -1.1791603 16 Sb -1.6439296 0.5852062 0.1482971 0.2612602 -1.3097553 -0.0334517 0.2001281 0.4117003 -1.1791603 ---------------------------------------------------------------------------- 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: 1.128 Solver_block: 200 / 480 - Time: 0.904 Solver_block: 300 / 480 - Time: 0.915 Solver_block: 400 / 480 - Time: 0.914 Solver_block: 480 / 480 - Time: 0.751 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.704 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:38:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:47]------------------------- 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 6.739748588180115 0.000000000000000 0.000000000000000 b 0.000000000000000 6.335553320000000 0.000000000000000 c -5.774496297175457 0.000000000000000 10.926767836343242 Atomic positions (fractional): 1 Na 0.76731185004144 0.83804297699680 0.46124789696714 22.990 2 Na 0.23268814995856 0.33804297699680 0.03875210303286 22.990 3 Na 0.23268814995856 0.16195702300320 0.53875210303286 22.990 4 Na 0.76731185004144 0.66195702300320 0.96124789696714 22.990 5 Na 0.76967936813294 0.09901456469936 0.17550004508222 22.990 6 Na 0.23032063186706 0.59901456469936 0.32449995491778 22.990 7 Na 0.23032063186706 0.90098543530064 0.82449995491778 22.990 8 Na 0.76967936813294 0.40098543530064 0.67550004508222 22.990 9 Sb 0.71250544052802 0.33942253106279 0.39870029921479 121.760 10 Sb 0.28749455947198 0.83942253106279 0.10129970078521 121.760 11 Sb 0.28749455947198 0.66057746893721 0.60129970078521 121.760 12 Sb 0.71250544052802 0.16057746893721 0.89870029921479 121.760 13 Sb 0.69338659803467 0.59762890563769 0.20390241696379 121.760 14 Sb 0.30661340196533 0.09762890563769 0.29609758303621 121.760 15 Sb 0.30661340196533 0.40237109436231 0.79609758303621 121.760 16 Sb 0.69338659803467 0.90237109436231 0.70390241696379 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.479497176360230 0.000000000000000 0.000000000000000 b 0.000000000000000 12.671106640000000 0.000000000000000 c -11.548992594350914 0.000000000000000 21.853535672686483 Atomic positions (fractional): 1 Na 0.38365592502072 0.41902148849840 0.23062394848357 22.990 > 1 2 Na 0.88365592502072 0.41902148849840 0.23062394848357 22.990 > 1 3 Na 0.38365592502072 0.91902148849840 0.23062394848357 22.990 > 1 4 Na 0.88365592502072 0.91902148849840 0.23062394848357 22.990 > 1 5 Na 0.38365592502072 0.41902148849840 0.73062394848357 22.990 > 1 6 Na 0.88365592502072 0.41902148849840 0.73062394848357 22.990 > 1 7 Na 0.38365592502072 0.91902148849840 0.73062394848357 22.990 > 1 8 Na 0.88365592502072 0.91902148849840 0.73062394848357 22.990 > 1 9 Na 0.11634407497928 0.16902148849840 0.01937605151643 22.990 > 9 10 Na 0.61634407497928 0.16902148849840 0.01937605151643 22.990 > 9 11 Na 0.11634407497928 0.66902148849840 0.01937605151643 22.990 > 9 12 Na 0.61634407497928 0.66902148849840 0.01937605151643 22.990 > 9 13 Na 0.11634407497928 0.16902148849840 0.51937605151643 22.990 > 9 14 Na 0.61634407497928 0.16902148849840 0.51937605151643 22.990 > 9 15 Na 0.11634407497928 0.66902148849840 0.51937605151643 22.990 > 9 16 Na 0.61634407497928 0.66902148849840 0.51937605151643 22.990 > 9 17 Na 0.11634407497928 0.08097851150160 0.26937605151643 22.990 > 17 18 Na 0.61634407497928 0.08097851150160 0.26937605151643 22.990 > 17 19 Na 0.11634407497928 0.58097851150160 0.26937605151643 22.990 > 17 20 Na 0.61634407497928 0.58097851150160 0.26937605151643 22.990 > 17 21 Na 0.11634407497928 0.08097851150160 0.76937605151643 22.990 > 17 22 Na 0.61634407497928 0.08097851150160 0.76937605151643 22.990 > 17 23 Na 0.11634407497928 0.58097851150160 0.76937605151643 22.990 > 17 24 Na 0.61634407497928 0.58097851150160 0.76937605151643 22.990 > 17 25 Na 0.38365592502072 0.33097851150160 0.48062394848357 22.990 > 25 26 Na 0.88365592502072 0.33097851150160 0.48062394848357 22.990 > 25 27 Na 0.38365592502072 0.83097851150160 0.48062394848357 22.990 > 25 28 Na 0.88365592502072 0.83097851150160 0.48062394848357 22.990 > 25 29 Na 0.38365592502072 0.33097851150160 0.98062394848357 22.990 > 25 30 Na 0.88365592502072 0.33097851150160 0.98062394848357 22.990 > 25 31 Na 0.38365592502072 0.83097851150160 0.98062394848357 22.990 > 25 32 Na 0.88365592502072 0.83097851150160 0.98062394848357 22.990 > 25 33 Na 0.38483968406647 0.04950728234968 0.08775002254111 22.990 > 33 34 Na 0.88483968406647 0.04950728234968 0.08775002254111 22.990 > 33 35 Na 0.38483968406647 0.54950728234968 0.08775002254111 22.990 > 33 36 Na 0.88483968406647 0.54950728234968 0.08775002254111 22.990 > 33 37 Na 0.38483968406647 0.04950728234968 0.58775002254111 22.990 > 33 38 Na 0.88483968406647 0.04950728234968 0.58775002254111 22.990 > 33 39 Na 0.38483968406647 0.54950728234968 0.58775002254111 22.990 > 33 40 Na 0.88483968406647 0.54950728234968 0.58775002254111 22.990 > 33 41 Na 0.11516031593353 0.29950728234968 0.16224997745889 22.990 > 41 42 Na 0.61516031593353 0.29950728234968 0.16224997745889 22.990 > 41 43 Na 0.11516031593353 0.79950728234968 0.16224997745889 22.990 > 41 44 Na 0.61516031593353 0.79950728234968 0.16224997745889 22.990 > 41 45 Na 0.11516031593353 0.29950728234968 0.66224997745889 22.990 > 41 46 Na 0.61516031593353 0.29950728234968 0.66224997745889 22.990 > 41 47 Na 0.11516031593353 0.79950728234968 0.66224997745889 22.990 > 41 48 Na 0.61516031593353 0.79950728234968 0.66224997745889 22.990 > 41 49 Na 0.11516031593353 0.45049271765032 0.41224997745889 22.990 > 49 50 Na 0.61516031593353 0.45049271765032 0.41224997745889 22.990 > 49 51 Na 0.11516031593353 0.95049271765032 0.41224997745889 22.990 > 49 52 Na 0.61516031593353 0.95049271765032 0.41224997745889 22.990 > 49 53 Na 0.11516031593353 0.45049271765032 0.91224997745889 22.990 > 49 54 Na 0.61516031593353 0.45049271765032 0.91224997745889 22.990 > 49 55 Na 0.11516031593353 0.95049271765032 0.91224997745889 22.990 > 49 56 Na 0.61516031593353 0.95049271765032 0.91224997745889 22.990 > 49 57 Na 0.38483968406647 0.20049271765032 0.33775002254111 22.990 > 57 58 Na 0.88483968406647 0.20049271765032 0.33775002254111 22.990 > 57 59 Na 0.38483968406647 0.70049271765032 0.33775002254111 22.990 > 57 60 Na 0.88483968406647 0.70049271765032 0.33775002254111 22.990 > 57 61 Na 0.38483968406647 0.20049271765032 0.83775002254111 22.990 > 57 62 Na 0.88483968406647 0.20049271765032 0.83775002254111 22.990 > 57 63 Na 0.38483968406647 0.70049271765032 0.83775002254111 22.990 > 57 64 Na 0.88483968406647 0.70049271765032 0.83775002254111 22.990 > 57 65 Sb 0.35625272026401 0.16971126553140 0.19935014960739 121.760 > 65 66 Sb 0.85625272026401 0.16971126553140 0.19935014960739 121.760 > 65 67 Sb 0.35625272026401 0.66971126553140 0.19935014960739 121.760 > 65 68 Sb 0.85625272026401 0.66971126553140 0.19935014960739 121.760 > 65 69 Sb 0.35625272026401 0.16971126553140 0.69935014960739 121.760 > 65 70 Sb 0.85625272026401 0.16971126553140 0.69935014960739 121.760 > 65 71 Sb 0.35625272026401 0.66971126553140 0.69935014960739 121.760 > 65 72 Sb 0.85625272026401 0.66971126553140 0.69935014960739 121.760 > 65 73 Sb 0.14374727973599 0.41971126553140 0.05064985039261 121.760 > 73 74 Sb 0.64374727973599 0.41971126553140 0.05064985039261 121.760 > 73 75 Sb 0.14374727973599 0.91971126553140 0.05064985039261 121.760 > 73 76 Sb 0.64374727973599 0.91971126553140 0.05064985039261 121.760 > 73 77 Sb 0.14374727973599 0.41971126553140 0.55064985039261 121.760 > 73 78 Sb 0.64374727973599 0.41971126553140 0.55064985039261 121.760 > 73 79 Sb 0.14374727973599 0.91971126553140 0.55064985039261 121.760 > 73 80 Sb 0.64374727973599 0.91971126553140 0.55064985039261 121.760 > 73 81 Sb 0.14374727973599 0.33028873446860 0.30064985039261 121.760 > 81 82 Sb 0.64374727973599 0.33028873446860 0.30064985039261 121.760 > 81 83 Sb 0.14374727973599 0.83028873446860 0.30064985039261 121.760 > 81 84 Sb 0.64374727973599 0.83028873446860 0.30064985039261 121.760 > 81 85 Sb 0.14374727973599 0.33028873446860 0.80064985039261 121.760 > 81 86 Sb 0.64374727973599 0.33028873446860 0.80064985039261 121.760 > 81 87 Sb 0.14374727973599 0.83028873446860 0.80064985039261 121.760 > 81 88 Sb 0.64374727973599 0.83028873446860 0.80064985039261 121.760 > 81 89 Sb 0.35625272026401 0.08028873446860 0.44935014960739 121.760 > 89 90 Sb 0.85625272026401 0.08028873446860 0.44935014960739 121.760 > 89 91 Sb 0.35625272026401 0.58028873446860 0.44935014960739 121.760 > 89 92 Sb 0.85625272026401 0.58028873446860 0.44935014960739 121.760 > 89 93 Sb 0.35625272026401 0.08028873446860 0.94935014960739 121.760 > 89 94 Sb 0.85625272026401 0.08028873446860 0.94935014960739 121.760 > 89 95 Sb 0.35625272026401 0.58028873446860 0.94935014960739 121.760 > 89 96 Sb 0.85625272026401 0.58028873446860 0.94935014960739 121.760 > 89 97 Sb 0.34669329901733 0.29881445281884 0.10195120848189 121.760 > 97 98 Sb 0.84669329901733 0.29881445281884 0.10195120848189 121.760 > 97 99 Sb 0.34669329901733 0.79881445281884 0.10195120848189 121.760 > 97 100 Sb 0.84669329901733 0.79881445281884 0.10195120848189 121.760 > 97 101 Sb 0.34669329901733 0.29881445281884 0.60195120848189 121.760 > 97 102 Sb 0.84669329901733 0.29881445281884 0.60195120848189 121.760 > 97 103 Sb 0.34669329901733 0.79881445281884 0.60195120848189 121.760 > 97 104 Sb 0.84669329901733 0.79881445281884 0.60195120848189 121.760 > 97 105 Sb 0.15330670098267 0.04881445281884 0.14804879151811 121.760 > 105 106 Sb 0.65330670098267 0.04881445281884 0.14804879151811 121.760 > 105 107 Sb 0.15330670098267 0.54881445281884 0.14804879151811 121.760 > 105 108 Sb 0.65330670098267 0.54881445281884 0.14804879151811 121.760 > 105 109 Sb 0.15330670098267 0.04881445281884 0.64804879151811 121.760 > 105 110 Sb 0.65330670098267 0.04881445281884 0.64804879151811 121.760 > 105 111 Sb 0.15330670098267 0.54881445281884 0.64804879151811 121.760 > 105 112 Sb 0.65330670098267 0.54881445281884 0.64804879151811 121.760 > 105 113 Sb 0.15330670098267 0.20118554718116 0.39804879151811 121.760 > 113 114 Sb 0.65330670098267 0.20118554718116 0.39804879151811 121.760 > 113 115 Sb 0.15330670098267 0.70118554718116 0.39804879151811 121.760 > 113 116 Sb 0.65330670098267 0.70118554718116 0.39804879151811 121.760 > 113 117 Sb 0.15330670098267 0.20118554718116 0.89804879151811 121.760 > 113 118 Sb 0.65330670098267 0.20118554718116 0.89804879151811 121.760 > 113 119 Sb 0.15330670098267 0.70118554718116 0.89804879151811 121.760 > 113 120 Sb 0.65330670098267 0.70118554718116 0.89804879151811 121.760 > 113 121 Sb 0.34669329901733 0.45118554718116 0.35195120848189 121.760 > 121 122 Sb 0.84669329901733 0.45118554718116 0.35195120848189 121.760 > 121 123 Sb 0.34669329901733 0.95118554718116 0.35195120848189 121.760 > 121 124 Sb 0.84669329901733 0.95118554718116 0.35195120848189 121.760 > 121 125 Sb 0.34669329901733 0.45118554718116 0.85195120848189 121.760 > 121 126 Sb 0.84669329901733 0.45118554718116 0.85195120848189 121.760 > 121 127 Sb 0.34669329901733 0.95118554718116 0.85195120848189 121.760 > 121 128 Sb 0.84669329901733 0.95118554718116 0.85195120848189 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.0914781 0.0000000 2.1165555 0.0000000 16.7569714 0.0000000 2.1164611 0.0000000 13.5138569 -------------------------- Born effective charges -------------------------- 1 Na 1.1259359 -0.1493156 -0.0393959 -0.2605372 1.3462096 0.0847808 0.0862309 -0.0608632 1.3869516 2 Na 1.1259359 0.1493156 -0.0393959 0.2605372 1.3462096 -0.0847808 0.0862309 0.0608632 1.3869516 3 Na 1.1259359 -0.1493156 -0.0393959 -0.2605372 1.3462096 0.0847808 0.0862309 -0.0608632 1.3869516 4 Na 1.1259359 0.1493156 -0.0393959 0.2605372 1.3462096 -0.0847808 0.0862309 0.0608632 1.3869516 5 Na 1.4695354 0.0348860 -0.0352268 0.0900630 1.2827933 0.0916798 -0.2157834 -0.0532321 0.9924856 6 Na 1.4695354 -0.0348860 -0.0352268 -0.0900630 1.2827933 -0.0916798 -0.2157834 0.0532321 0.9924856 7 Na 1.4695354 0.0348860 -0.0352268 0.0900630 1.2827933 0.0916798 -0.2157834 -0.0532321 0.9924856 8 Na 1.4695354 -0.0348860 -0.0352268 -0.0900630 1.2827933 -0.0916798 -0.2157834 0.0532321 0.9924856 9 Sb -0.9515417 0.5972840 -0.0736743 0.3426054 -1.3192475 -0.0980767 -0.0705756 -0.3424930 -1.2002770 10 Sb -0.9515417 -0.5972840 -0.0736743 -0.3426054 -1.3192475 0.0980767 -0.0705756 0.3424930 -1.2002770 11 Sb -0.9515417 0.5972840 -0.0736743 0.3426054 -1.3192475 -0.0980767 -0.0705756 -0.3424930 -1.2002770 12 Sb -0.9515417 -0.5972840 -0.0736743 -0.3426054 -1.3192475 0.0980767 -0.0705756 0.3424930 -1.2002770 13 Sb -1.6439296 -0.5852062 0.1482971 -0.2612602 -1.3097553 0.0334517 0.2001281 -0.4117003 -1.1791603 14 Sb -1.6439296 0.5852062 0.1482971 0.2612602 -1.3097553 -0.0334517 0.2001281 0.4117003 -1.1791603 15 Sb -1.6439296 -0.5852062 0.1482971 -0.2612602 -1.3097553 0.0334517 0.2001281 -0.4117003 -1.1791603 16 Sb -1.6439296 0.5852062 0.1482971 0.2612602 -1.3097553 -0.0334517 0.2001281 0.4117003 -1.1791603 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxy) -0.00000002 (xxy) -0.00000002 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:39:10]------------------------- 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 6.739748588180115 0.000000000000000 0.000000000000000 b 0.000000000000000 6.335553320000000 0.000000000000000 c -5.774496297175457 0.000000000000000 10.926767836343242 Atomic positions (fractional): 1 Na 0.76731185004144 0.83804297699680 0.46124789696714 22.990 2 Na 0.23268814995856 0.33804297699680 0.03875210303286 22.990 3 Na 0.23268814995856 0.16195702300320 0.53875210303286 22.990 4 Na 0.76731185004144 0.66195702300320 0.96124789696714 22.990 5 Na 0.76967936813294 0.09901456469936 0.17550004508222 22.990 6 Na 0.23032063186706 0.59901456469936 0.32449995491778 22.990 7 Na 0.23032063186706 0.90098543530064 0.82449995491778 22.990 8 Na 0.76967936813294 0.40098543530064 0.67550004508222 22.990 9 Sb 0.71250544052802 0.33942253106279 0.39870029921479 121.760 10 Sb 0.28749455947198 0.83942253106279 0.10129970078521 121.760 11 Sb 0.28749455947198 0.66057746893721 0.60129970078521 121.760 12 Sb 0.71250544052802 0.16057746893721 0.89870029921479 121.760 13 Sb 0.69338659803467 0.59762890563769 0.20390241696379 121.760 14 Sb 0.30661340196533 0.09762890563769 0.29609758303621 121.760 15 Sb 0.30661340196533 0.40237109436231 0.79609758303621 121.760 16 Sb 0.69338659803467 0.90237109436231 0.70390241696379 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.479497176360230 0.000000000000000 0.000000000000000 b 0.000000000000000 12.671106640000000 0.000000000000000 c -11.548992594350914 0.000000000000000 21.853535672686483 Atomic positions (fractional): 1 Na 0.38365592502072 0.41902148849840 0.23062394848357 22.990 > 1 2 Na 0.88365592502072 0.41902148849840 0.23062394848357 22.990 > 1 3 Na 0.38365592502072 0.91902148849840 0.23062394848357 22.990 > 1 4 Na 0.88365592502072 0.91902148849840 0.23062394848357 22.990 > 1 5 Na 0.38365592502072 0.41902148849840 0.73062394848357 22.990 > 1 6 Na 0.88365592502072 0.41902148849840 0.73062394848357 22.990 > 1 7 Na 0.38365592502072 0.91902148849840 0.73062394848357 22.990 > 1 8 Na 0.88365592502072 0.91902148849840 0.73062394848357 22.990 > 1 9 Na 0.11634407497928 0.16902148849840 0.01937605151643 22.990 > 9 10 Na 0.61634407497928 0.16902148849840 0.01937605151643 22.990 > 9 11 Na 0.11634407497928 0.66902148849840 0.01937605151643 22.990 > 9 12 Na 0.61634407497928 0.66902148849840 0.01937605151643 22.990 > 9 13 Na 0.11634407497928 0.16902148849840 0.51937605151643 22.990 > 9 14 Na 0.61634407497928 0.16902148849840 0.51937605151643 22.990 > 9 15 Na 0.11634407497928 0.66902148849840 0.51937605151643 22.990 > 9 16 Na 0.61634407497928 0.66902148849840 0.51937605151643 22.990 > 9 17 Na 0.11634407497928 0.08097851150160 0.26937605151643 22.990 > 17 18 Na 0.61634407497928 0.08097851150160 0.26937605151643 22.990 > 17 19 Na 0.11634407497928 0.58097851150160 0.26937605151643 22.990 > 17 20 Na 0.61634407497928 0.58097851150160 0.26937605151643 22.990 > 17 21 Na 0.11634407497928 0.08097851150160 0.76937605151643 22.990 > 17 22 Na 0.61634407497928 0.08097851150160 0.76937605151643 22.990 > 17 23 Na 0.11634407497928 0.58097851150160 0.76937605151643 22.990 > 17 24 Na 0.61634407497928 0.58097851150160 0.76937605151643 22.990 > 17 25 Na 0.38365592502072 0.33097851150160 0.48062394848357 22.990 > 25 26 Na 0.88365592502072 0.33097851150160 0.48062394848357 22.990 > 25 27 Na 0.38365592502072 0.83097851150160 0.48062394848357 22.990 > 25 28 Na 0.88365592502072 0.83097851150160 0.48062394848357 22.990 > 25 29 Na 0.38365592502072 0.33097851150160 0.98062394848357 22.990 > 25 30 Na 0.88365592502072 0.33097851150160 0.98062394848357 22.990 > 25 31 Na 0.38365592502072 0.83097851150160 0.98062394848357 22.990 > 25 32 Na 0.88365592502072 0.83097851150160 0.98062394848357 22.990 > 25 33 Na 0.38483968406647 0.04950728234968 0.08775002254111 22.990 > 33 34 Na 0.88483968406647 0.04950728234968 0.08775002254111 22.990 > 33 35 Na 0.38483968406647 0.54950728234968 0.08775002254111 22.990 > 33 36 Na 0.88483968406647 0.54950728234968 0.08775002254111 22.990 > 33 37 Na 0.38483968406647 0.04950728234968 0.58775002254111 22.990 > 33 38 Na 0.88483968406647 0.04950728234968 0.58775002254111 22.990 > 33 39 Na 0.38483968406647 0.54950728234968 0.58775002254111 22.990 > 33 40 Na 0.88483968406647 0.54950728234968 0.58775002254111 22.990 > 33 41 Na 0.11516031593353 0.29950728234968 0.16224997745889 22.990 > 41 42 Na 0.61516031593353 0.29950728234968 0.16224997745889 22.990 > 41 43 Na 0.11516031593353 0.79950728234968 0.16224997745889 22.990 > 41 44 Na 0.61516031593353 0.79950728234968 0.16224997745889 22.990 > 41 45 Na 0.11516031593353 0.29950728234968 0.66224997745889 22.990 > 41 46 Na 0.61516031593353 0.29950728234968 0.66224997745889 22.990 > 41 47 Na 0.11516031593353 0.79950728234968 0.66224997745889 22.990 > 41 48 Na 0.61516031593353 0.79950728234968 0.66224997745889 22.990 > 41 49 Na 0.11516031593353 0.45049271765032 0.41224997745889 22.990 > 49 50 Na 0.61516031593353 0.45049271765032 0.41224997745889 22.990 > 49 51 Na 0.11516031593353 0.95049271765032 0.41224997745889 22.990 > 49 52 Na 0.61516031593353 0.95049271765032 0.41224997745889 22.990 > 49 53 Na 0.11516031593353 0.45049271765032 0.91224997745889 22.990 > 49 54 Na 0.61516031593353 0.45049271765032 0.91224997745889 22.990 > 49 55 Na 0.11516031593353 0.95049271765032 0.91224997745889 22.990 > 49 56 Na 0.61516031593353 0.95049271765032 0.91224997745889 22.990 > 49 57 Na 0.38483968406647 0.20049271765032 0.33775002254111 22.990 > 57 58 Na 0.88483968406647 0.20049271765032 0.33775002254111 22.990 > 57 59 Na 0.38483968406647 0.70049271765032 0.33775002254111 22.990 > 57 60 Na 0.88483968406647 0.70049271765032 0.33775002254111 22.990 > 57 61 Na 0.38483968406647 0.20049271765032 0.83775002254111 22.990 > 57 62 Na 0.88483968406647 0.20049271765032 0.83775002254111 22.990 > 57 63 Na 0.38483968406647 0.70049271765032 0.83775002254111 22.990 > 57 64 Na 0.88483968406647 0.70049271765032 0.83775002254111 22.990 > 57 65 Sb 0.35625272026401 0.16971126553140 0.19935014960739 121.760 > 65 66 Sb 0.85625272026401 0.16971126553140 0.19935014960739 121.760 > 65 67 Sb 0.35625272026401 0.66971126553140 0.19935014960739 121.760 > 65 68 Sb 0.85625272026401 0.66971126553140 0.19935014960739 121.760 > 65 69 Sb 0.35625272026401 0.16971126553140 0.69935014960739 121.760 > 65 70 Sb 0.85625272026401 0.16971126553140 0.69935014960739 121.760 > 65 71 Sb 0.35625272026401 0.66971126553140 0.69935014960739 121.760 > 65 72 Sb 0.85625272026401 0.66971126553140 0.69935014960739 121.760 > 65 73 Sb 0.14374727973599 0.41971126553140 0.05064985039261 121.760 > 73 74 Sb 0.64374727973599 0.41971126553140 0.05064985039261 121.760 > 73 75 Sb 0.14374727973599 0.91971126553140 0.05064985039261 121.760 > 73 76 Sb 0.64374727973599 0.91971126553140 0.05064985039261 121.760 > 73 77 Sb 0.14374727973599 0.41971126553140 0.55064985039261 121.760 > 73 78 Sb 0.64374727973599 0.41971126553140 0.55064985039261 121.760 > 73 79 Sb 0.14374727973599 0.91971126553140 0.55064985039261 121.760 > 73 80 Sb 0.64374727973599 0.91971126553140 0.55064985039261 121.760 > 73 81 Sb 0.14374727973599 0.33028873446860 0.30064985039261 121.760 > 81 82 Sb 0.64374727973599 0.33028873446860 0.30064985039261 121.760 > 81 83 Sb 0.14374727973599 0.83028873446860 0.30064985039261 121.760 > 81 84 Sb 0.64374727973599 0.83028873446860 0.30064985039261 121.760 > 81 85 Sb 0.14374727973599 0.33028873446860 0.80064985039261 121.760 > 81 86 Sb 0.64374727973599 0.33028873446860 0.80064985039261 121.760 > 81 87 Sb 0.14374727973599 0.83028873446860 0.80064985039261 121.760 > 81 88 Sb 0.64374727973599 0.83028873446860 0.80064985039261 121.760 > 81 89 Sb 0.35625272026401 0.08028873446860 0.44935014960739 121.760 > 89 90 Sb 0.85625272026401 0.08028873446860 0.44935014960739 121.760 > 89 91 Sb 0.35625272026401 0.58028873446860 0.44935014960739 121.760 > 89 92 Sb 0.85625272026401 0.58028873446860 0.44935014960739 121.760 > 89 93 Sb 0.35625272026401 0.08028873446860 0.94935014960739 121.760 > 89 94 Sb 0.85625272026401 0.08028873446860 0.94935014960739 121.760 > 89 95 Sb 0.35625272026401 0.58028873446860 0.94935014960739 121.760 > 89 96 Sb 0.85625272026401 0.58028873446860 0.94935014960739 121.760 > 89 97 Sb 0.34669329901733 0.29881445281884 0.10195120848189 121.760 > 97 98 Sb 0.84669329901733 0.29881445281884 0.10195120848189 121.760 > 97 99 Sb 0.34669329901733 0.79881445281884 0.10195120848189 121.760 > 97 100 Sb 0.84669329901733 0.79881445281884 0.10195120848189 121.760 > 97 101 Sb 0.34669329901733 0.29881445281884 0.60195120848189 121.760 > 97 102 Sb 0.84669329901733 0.29881445281884 0.60195120848189 121.760 > 97 103 Sb 0.34669329901733 0.79881445281884 0.60195120848189 121.760 > 97 104 Sb 0.84669329901733 0.79881445281884 0.60195120848189 121.760 > 97 105 Sb 0.15330670098267 0.04881445281884 0.14804879151811 121.760 > 105 106 Sb 0.65330670098267 0.04881445281884 0.14804879151811 121.760 > 105 107 Sb 0.15330670098267 0.54881445281884 0.14804879151811 121.760 > 105 108 Sb 0.65330670098267 0.54881445281884 0.14804879151811 121.760 > 105 109 Sb 0.15330670098267 0.04881445281884 0.64804879151811 121.760 > 105 110 Sb 0.65330670098267 0.04881445281884 0.64804879151811 121.760 > 105 111 Sb 0.15330670098267 0.54881445281884 0.64804879151811 121.760 > 105 112 Sb 0.65330670098267 0.54881445281884 0.64804879151811 121.760 > 105 113 Sb 0.15330670098267 0.20118554718116 0.39804879151811 121.760 > 113 114 Sb 0.65330670098267 0.20118554718116 0.39804879151811 121.760 > 113 115 Sb 0.15330670098267 0.70118554718116 0.39804879151811 121.760 > 113 116 Sb 0.65330670098267 0.70118554718116 0.39804879151811 121.760 > 113 117 Sb 0.15330670098267 0.20118554718116 0.89804879151811 121.760 > 113 118 Sb 0.65330670098267 0.20118554718116 0.89804879151811 121.760 > 113 119 Sb 0.15330670098267 0.70118554718116 0.89804879151811 121.760 > 113 120 Sb 0.65330670098267 0.70118554718116 0.89804879151811 121.760 > 113 121 Sb 0.34669329901733 0.45118554718116 0.35195120848189 121.760 > 121 122 Sb 0.84669329901733 0.45118554718116 0.35195120848189 121.760 > 121 123 Sb 0.34669329901733 0.95118554718116 0.35195120848189 121.760 > 121 124 Sb 0.84669329901733 0.95118554718116 0.35195120848189 121.760 > 121 125 Sb 0.34669329901733 0.45118554718116 0.85195120848189 121.760 > 121 126 Sb 0.84669329901733 0.45118554718116 0.85195120848189 121.760 > 121 127 Sb 0.34669329901733 0.95118554718116 0.85195120848189 121.760 > 121 128 Sb 0.84669329901733 0.95118554718116 0.85195120848189 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 17.0914781 0.0000000 2.1165555 0.0000000 16.7569714 0.0000000 2.1164611 0.0000000 13.5138569 -------------------------- Born effective charges -------------------------- 1 Na 1.1259359 -0.1493156 -0.0393959 -0.2605372 1.3462096 0.0847808 0.0862309 -0.0608632 1.3869516 2 Na 1.1259359 0.1493156 -0.0393959 0.2605372 1.3462096 -0.0847808 0.0862309 0.0608632 1.3869516 3 Na 1.1259359 -0.1493156 -0.0393959 -0.2605372 1.3462096 0.0847808 0.0862309 -0.0608632 1.3869516 4 Na 1.1259359 0.1493156 -0.0393959 0.2605372 1.3462096 -0.0847808 0.0862309 0.0608632 1.3869516 5 Na 1.4695354 0.0348860 -0.0352268 0.0900630 1.2827933 0.0916798 -0.2157834 -0.0532321 0.9924856 6 Na 1.4695354 -0.0348860 -0.0352268 -0.0900630 1.2827933 -0.0916798 -0.2157834 0.0532321 0.9924856 7 Na 1.4695354 0.0348860 -0.0352268 0.0900630 1.2827933 0.0916798 -0.2157834 -0.0532321 0.9924856 8 Na 1.4695354 -0.0348860 -0.0352268 -0.0900630 1.2827933 -0.0916798 -0.2157834 0.0532321 0.9924856 9 Sb -0.9515417 0.5972840 -0.0736743 0.3426054 -1.3192475 -0.0980767 -0.0705756 -0.3424930 -1.2002770 10 Sb -0.9515417 -0.5972840 -0.0736743 -0.3426054 -1.3192475 0.0980767 -0.0705756 0.3424930 -1.2002770 11 Sb -0.9515417 0.5972840 -0.0736743 0.3426054 -1.3192475 -0.0980767 -0.0705756 -0.3424930 -1.2002770 12 Sb -0.9515417 -0.5972840 -0.0736743 -0.3426054 -1.3192475 0.0980767 -0.0705756 0.3424930 -1.2002770 13 Sb -1.6439296 -0.5852062 0.1482971 -0.2612602 -1.3097553 0.0334517 0.2001281 -0.4117003 -1.1791603 14 Sb -1.6439296 0.5852062 0.1482971 0.2612602 -1.3097553 -0.0334517 0.2001281 0.4117003 -1.1791603 15 Sb -1.6439296 -0.5852062 0.1482971 -0.2612602 -1.3097553 0.0334517 0.2001281 -0.4117003 -1.1791603 16 Sb -1.6439296 0.5852062 0.1482971 0.2612602 -1.3097553 -0.0334517 0.2001281 0.4117003 -1.1791603 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxy) -0.00000002 (xxy) -0.00000002 (xyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 8 5 ] 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: 0.54, Number of G-points: 303, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 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 0.665 ( 0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( 6.703 0.000 8.876) 11.123 0.269 ( 9.021 0.000 8.639) 12.490 0.645 ( 22.997 0.000 10.325) 25.209 0.677 ( 4.040 0.000 1.537) 4.323 0.923 ( -5.924 0.000 -9.524) 11.215 1.142 ( -3.734 0.000 -1.206) 3.924 1.153 ( 0.893 0.000 2.574) 2.724 1.561 ( -2.370 0.000 -2.174) 3.216 1.713 ( -0.476 0.000 -1.537) 1.609 1.753 ( 1.991 0.000 1.630) 2.573 1.774 ( -0.177 0.000 -0.277) 0.328 1.975 ( -1.211 0.000 -4.737) 4.889 2.043 ( 2.251 0.000 0.126) 2.255 2.135 ( 0.274 0.000 5.331) 5.338 2.191 ( -1.956 0.000 -1.993) 2.793 2.379 ( 0.205 0.000 -0.909) 0.932 2.873 ( 3.139 0.000 5.047) 5.944 2.959 ( -3.445 0.000 -12.011) 12.495 3.178 ( 0.469 0.000 -3.716) 3.745 3.234 ( 0.861 0.000 -1.937) 2.120 3.320 ( -1.939 0.000 1.705) 2.582 3.324 ( -7.564 0.000 7.076) 10.357 3.397 ( -4.154 0.000 1.581) 4.445 3.506 ( 2.562 0.000 1.702) 3.076 3.535 ( -1.522 0.000 1.289) 1.995 3.540 ( 2.805 0.000 -3.832) 4.750 3.641 ( 4.539 0.000 -2.153) 5.024 3.651 ( 0.661 0.000 -0.416) 0.781 3.722 ( 4.588 0.000 7.216) 8.551 3.920 ( -6.419 0.000 -2.059) 6.741 4.111 ( 6.233 0.000 -0.840) 6.290 4.135 ( 0.501 0.000 1.964) 2.027 4.297 ( -0.237 0.000 -0.820) 0.853 4.319 ( 2.763 0.000 -0.187) 2.769 4.328 ( -3.689 0.000 -0.620) 3.741 4.393 ( -1.806 0.000 0.015) 1.806 4.418 ( 1.642 0.000 0.730) 1.797 4.536 ( -2.037 0.000 -0.270) 2.055 4.667 ( 0.793 0.000 -0.185) 0.815 4.751 ( 2.410 0.000 1.304) 2.740 4.789 ( -3.840 0.000 -1.659) 4.183 4.865 ( 0.890 0.000 0.953) 1.304 5.019 ( -0.700 0.000 0.278) 0.754 5.036 ( -0.393 0.000 0.291) 0.489 5.063 ( 0.863 0.000 0.451) 0.974 5.113 ( 0.091 0.000 -0.111) 0.143 5.206 ( 0.311 0.000 0.222) 0.382 5.257 ( 1.019 0.000 -3.583) 3.725 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 5.075 0.000 7.755) 9.268 0.490 ( 6.448 0.000 6.586) 9.217 0.687 ( 2.246 0.000 -3.095) 3.824 0.777 ( 1.246 0.000 -5.163) 5.311 0.977 ( -8.241 0.000 -4.690) 9.482 1.180 ( 15.223 0.000 9.415) 17.900 1.194 ( 1.600 0.000 0.499) 1.676 1.505 ( -0.854 0.000 -2.153) 2.316 1.685 ( -0.420 0.000 -1.946) 1.991 1.762 ( -0.777 0.000 -0.281) 0.827 1.818 ( 2.551 0.000 2.261) 3.408 1.915 ( -0.600 0.000 -3.406) 3.459 2.073 ( 0.539 0.000 -0.491) 0.729 2.133 ( -1.102 0.000 -1.821) 2.128 2.181 ( -0.483 0.000 4.481) 4.507 2.359 ( -0.707 0.000 -2.238) 2.347 2.824 ( -0.811 0.000 -4.652) 4.722 2.969 ( -0.656 0.000 5.983) 6.019 3.146 ( 0.024 0.000 -4.793) 4.793 3.228 ( -1.509 0.000 3.126) 3.471 3.266 ( -0.132 0.000 -2.545) 2.548 3.283 ( -2.960 0.000 2.185) 3.679 3.379 ( -1.932 0.000 5.810) 6.123 3.477 ( -1.603 0.000 -4.985) 5.236 3.544 ( 2.540 0.000 -4.458) 5.131 3.558 ( 1.248 0.000 1.035) 1.621 3.667 ( 0.915 0.000 0.874) 1.266 3.713 ( -0.764 0.000 0.598) 0.971 3.862 ( 2.132 0.000 2.132) 3.015 3.872 ( 3.273 0.000 2.740) 4.268 4.118 ( -1.989 0.000 -3.321) 3.871 4.128 ( 0.360 0.000 -1.880) 1.914 4.235 ( -0.314 0.000 3.451) 3.465 4.283 ( 0.902 0.000 0.510) 1.037 4.354 ( -1.402 0.000 0.436) 1.468 4.447 ( -2.227 0.000 -1.026) 2.452 4.464 ( 3.070 0.000 1.269) 3.322 4.559 ( 2.643 0.000 1.732) 3.160 4.658 ( 0.373 0.000 -1.374) 1.424 4.671 ( -3.705 0.000 -2.328) 4.375 4.762 ( -2.122 0.000 -0.347) 2.150 4.900 ( 1.405 0.000 1.338) 1.940 5.016 ( -0.140 0.000 0.819) 0.830 5.020 ( -1.308 0.000 0.212) 1.326 5.083 ( 0.650 0.000 0.337) 0.732 5.121 ( 0.580 0.000 -0.029) 0.581 5.218 ( 0.617 0.000 0.243) 0.663 5.231 ( -0.468 0.000 -2.772) 2.811 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -1.830 0.000 3.989) 4.389 0.632 ( 2.980 0.000 4.317) 5.246 0.684 ( -0.790 0.000 -5.614) 5.669 0.720 ( -7.988 0.000 -2.230) 8.294 0.889 ( 10.383 0.000 1.082) 10.439 1.192 ( -2.137 0.000 -1.327) 2.516 1.436 ( 5.723 0.000 2.419) 6.213 1.511 ( 2.783 0.000 -0.138) 2.786 1.675 ( 1.755 0.000 -1.953) 2.626 1.741 ( -1.786 0.000 0.916) 2.007 1.882 ( 1.889 0.000 2.090) 2.817 1.896 ( 0.521 0.000 -0.887) 1.029 2.039 ( -2.025 0.000 -1.234) 2.371 2.144 ( 1.988 0.000 0.464) 2.042 2.210 ( -0.232 0.000 2.782) 2.792 2.312 ( -1.469 0.000 -2.998) 3.338 2.822 ( 1.991 0.000 -0.723) 2.118 2.910 ( -7.361 0.000 -0.506) 7.379 3.106 ( -0.447 0.000 -0.987) 1.084 3.241 ( 0.045 0.000 -0.237) 0.241 3.280 ( -0.402 0.000 0.517) 0.655 3.304 ( 5.811 0.000 0.678) 5.851 3.386 ( -2.553 0.000 -1.932) 3.202 3.411 ( -2.149 0.000 7.002) 7.324 3.515 ( -2.582 0.000 -1.129) 2.818 3.557 ( 2.779 0.000 -2.160) 3.520 3.713 ( 3.489 0.000 1.083) 3.653 3.817 ( 6.652 0.000 2.004) 6.947 3.840 ( -5.056 0.000 -2.589) 5.680 3.872 ( -0.489 0.000 1.172) 1.270 4.057 ( -2.977 0.000 -1.610) 3.385 4.218 ( 6.181 0.000 2.175) 6.553 4.243 ( -3.496 0.000 1.502) 3.805 4.301 ( -1.597 0.000 -0.676) 1.734 4.382 ( 3.574 0.000 2.828) 4.557 4.390 ( -1.133 0.000 -1.453) 1.842 4.456 ( -1.191 0.000 -3.397) 3.599 4.479 ( -2.954 0.000 -1.769) 3.443 4.675 ( -0.762 0.000 -0.704) 1.037 4.682 ( -2.879 0.000 -0.446) 2.913 4.732 ( 3.774 0.000 1.975) 4.260 4.938 ( 1.274 0.000 0.997) 1.618 5.000 ( -1.024 0.000 0.333) 1.077 5.020 ( -0.484 0.000 0.646) 0.807 5.090 ( 0.229 0.000 -0.208) 0.310 5.130 ( 0.293 0.000 0.176) 0.342 5.188 ( -1.084 0.000 -2.463) 2.691 5.231 ( 0.531 0.000 0.190) 0.564 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 0.000 0.000) 0.000 0.644 ( 0.000 0.000 -0.000) 0.000 0.681 ( 0.000 0.000 0.000) 0.000 0.698 ( -0.000 0.000 0.000) 0.000 1.061 ( -0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 -0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 -0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.180 ( -0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 -0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 -0.000) 0.000 3.421 ( -0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 -0.000) 0.000 3.599 ( 0.000 0.000 -0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 -0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.471 ( -0.000 0.000 -0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.551 ( -0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.957 ( -0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 -0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 -0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/105) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.000 11.178 0.000) 11.178 0.262 ( 0.000 13.804 0.000) 13.804 0.599 ( 0.000 29.490 0.000) 29.490 0.805 ( 0.000 12.469 0.000) 12.469 1.070 ( 0.000 1.223 0.000) 1.223 1.127 ( 0.000 0.783 0.000) 0.783 1.205 ( 0.000 2.546 0.000) 2.546 1.490 ( 0.000 -7.307 0.000) 7.307 1.732 ( 0.000 -4.644 0.000) 4.644 1.794 ( 0.000 6.638 0.000) 6.638 1.847 ( 0.000 8.458 0.000) 8.458 1.941 ( 0.000 -5.984 0.000) 5.984 2.057 ( 0.000 2.355 0.000) 2.355 2.184 ( 0.000 8.233 0.000) 8.233 2.291 ( 0.000 5.485 0.000) 5.485 2.410 ( 0.000 2.940 0.000) 2.940 2.811 ( 0.000 -0.724 0.000) 0.724 2.940 ( 0.000 -1.312 0.000) 1.312 3.182 ( 0.000 -1.309 0.000) 1.309 3.213 ( 0.000 -1.792 0.000) 1.792 3.290 ( 0.000 -3.497 0.000) 3.497 3.319 ( 0.000 0.447 0.000) 0.447 3.420 ( 0.000 -2.387 0.000) 2.387 3.443 ( 0.000 0.504 0.000) 0.504 3.500 ( 0.000 1.878 0.000) 1.878 3.535 ( 0.000 0.247 0.000) 0.247 3.572 ( 0.000 2.080 0.000) 2.080 3.663 ( 0.000 2.060 0.000) 2.060 3.728 ( 0.000 4.345 0.000) 4.345 3.971 ( 0.000 -0.155 0.000) 0.155 4.101 ( 0.000 -1.449 0.000) 1.449 4.128 ( 0.000 2.281 0.000) 2.281 4.220 ( 0.000 4.431 0.000) 4.431 4.316 ( 0.000 1.943 0.000) 1.943 4.337 ( 0.000 -1.760 0.000) 1.760 4.450 ( 0.000 4.239 0.000) 4.239 4.488 ( 0.000 -2.378 0.000) 2.378 4.592 ( 0.000 1.203 0.000) 1.203 4.592 ( 0.000 1.288 0.000) 1.288 4.831 ( 0.000 0.426 0.000) 0.426 4.847 ( 0.000 -1.175 0.000) 1.175 4.900 ( 0.000 -1.504 0.000) 1.504 4.969 ( 0.000 -4.550 0.000) 4.550 5.016 ( 0.000 -2.506 0.000) 2.506 5.102 ( 0.000 -1.373 0.000) 1.373 5.170 ( 0.000 -3.037 0.000) 3.037 5.182 ( 0.000 -1.801 0.000) 1.801 5.183 ( 0.000 -2.741 0.000) 2.741 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 5.892 7.245 3.675) 10.036 0.530 ( 9.445 12.815 6.497) 17.194 0.766 ( 14.908 15.501 8.320) 23.060 0.808 ( 1.207 11.848 -0.752) 11.933 0.946 ( -5.424 2.504 -8.456) 10.353 1.147 ( -0.438 0.710 0.591) 1.023 1.172 ( -2.857 2.302 0.751) 3.745 1.464 ( -1.042 -6.139 -2.036) 6.551 1.732 ( -0.110 -4.373 0.069) 4.375 1.815 ( 1.099 5.603 1.910) 6.021 1.836 ( -0.301 8.589 -1.451) 8.716 1.931 ( -0.423 -4.170 -1.368) 4.409 2.088 ( 2.557 1.938 0.348) 3.227 2.169 ( -0.983 7.563 -0.770) 7.665 2.280 ( -1.100 5.830 0.175) 5.935 2.410 ( -0.059 2.897 -0.661) 2.972 2.851 ( 2.148 -1.804 2.306) 3.631 2.896 ( -2.542 -3.497 -3.467) 5.541 3.156 ( 0.366 -2.192 -3.351) 4.021 3.239 ( 1.980 -0.163 -1.856) 2.719 3.281 ( -3.495 -1.750 2.985) 4.918 3.327 ( -1.489 -2.038 2.750) 3.733 3.386 ( -4.115 0.635 1.737) 4.511 3.506 ( -1.543 -0.560 -1.212) 2.041 3.520 ( 3.071 0.386 2.372) 3.899 3.567 ( 2.762 0.629 1.483) 3.197 3.620 ( -0.291 -0.852 -3.563) 3.675 3.659 ( 2.838 -0.112 0.789) 2.948 3.729 ( 7.774 4.563 3.154) 9.550 3.911 ( -6.898 -1.038 -2.825) 7.526 4.093 ( 5.189 0.533 0.825) 5.281 4.226 ( 1.178 5.905 1.841) 6.297 4.274 ( -3.712 -1.757 -1.577) 4.399 4.305 ( 2.185 -0.850 -0.143) 2.349 4.345 ( 1.803 0.616 0.921) 2.116 4.376 ( -1.859 1.224 -1.169) 2.514 4.475 ( 1.093 3.676 1.674) 4.184 4.518 ( -2.291 0.490 -1.076) 2.578 4.704 ( 1.949 0.122 1.287) 2.339 4.783 ( -4.030 -0.478 -1.602) 4.363 4.809 ( -2.788 1.250 -1.148) 3.264 4.875 ( 0.404 0.829 0.569) 1.083 4.986 ( 0.320 -3.965 0.151) 3.981 5.019 ( -0.023 -1.335 -0.255) 1.359 5.068 ( -1.742 -0.055 -0.281) 1.765 5.100 ( 0.074 -1.314 0.138) 1.323 5.182 ( 0.090 -2.108 -0.022) 2.110 5.221 ( 1.042 -3.563 -2.118) 4.273 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 5.805 3.628 4.768) 8.342 0.690 ( 3.767 15.141 4.838) 16.335 0.810 ( 0.807 5.953 -4.750) 7.658 0.813 ( 1.982 8.987 -2.877) 9.642 1.014 ( -8.025 4.004 -3.729) 9.713 1.166 ( 10.395 -0.759 6.519) 12.293 1.195 ( 3.306 1.225 1.636) 3.887 1.439 ( 0.576 -3.975 -0.895) 4.115 1.721 ( -1.248 -3.384 -0.046) 3.607 1.817 ( 0.372 8.267 -1.902) 8.491 1.863 ( 1.372 3.509 2.713) 4.643 1.900 ( -0.578 -1.599 -2.459) 2.990 2.121 ( 0.094 3.057 -0.982) 3.212 2.153 ( 0.890 6.341 0.034) 6.403 2.264 ( -1.166 5.268 1.551) 5.614 2.393 ( -0.731 3.738 -1.681) 4.163 2.803 ( 0.293 -1.774 -3.522) 3.954 2.943 ( -0.337 -2.301 4.980) 5.496 3.142 ( 1.309 -0.965 -3.169) 3.562 3.214 ( -4.548 -0.372 2.358) 5.136 3.257 ( 2.342 -0.496 -3.056) 3.882 3.305 ( -2.895 0.837 1.294) 3.280 3.360 ( -2.150 -1.161 6.558) 6.998 3.480 ( -2.247 -0.071 -4.559) 5.083 3.494 ( 1.968 -1.826 -2.592) 3.732 3.598 ( -2.480 -0.392 -0.907) 2.669 3.644 ( 4.032 1.665 1.587) 4.642 3.745 ( 2.254 1.014 0.946) 2.646 3.809 ( -0.601 -2.953 1.284) 3.276 3.922 ( 4.986 3.625 2.677) 6.721 4.120 ( 1.878 1.686 -1.452) 2.911 4.157 ( -3.211 0.413 -2.727) 4.233 4.253 ( -0.387 2.474 0.845) 2.643 4.313 ( 0.518 0.957 1.140) 1.576 4.365 ( 0.574 1.668 0.517) 1.838 4.429 ( 1.547 -0.422 0.445) 1.664 4.449 ( -1.905 0.106 -1.025) 2.166 4.578 ( 3.247 1.694 3.136) 4.822 4.633 ( -5.211 -1.740 -2.592) 6.075 4.728 ( 0.374 3.159 -1.822) 3.666 4.772 ( -2.110 0.952 -0.398) 2.349 4.900 ( 0.836 -0.391 1.488) 1.751 4.973 ( -1.318 -3.506 -0.335) 3.760 5.017 ( 0.501 -1.060 0.138) 1.180 5.071 ( 0.336 -1.306 0.811) 1.574 5.113 ( 0.634 -1.129 0.498) 1.387 5.183 ( 0.178 -2.615 -0.719) 2.718 5.206 ( -0.331 -2.945 -1.589) 3.363 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.736 3.087 3.238) 4.534 0.734 ( -5.871 5.583 -6.049) 10.111 0.787 ( -1.319 10.540 3.606) 11.218 0.830 ( 0.073 11.413 -1.161) 11.472 0.926 ( 9.389 4.171 1.046) 10.327 1.193 ( -1.589 1.064 -0.844) 2.090 1.355 ( 3.972 -4.272 0.905) 5.903 1.492 ( 3.777 -2.276 1.182) 4.565 1.693 ( -1.498 -2.436 0.113) 2.862 1.817 ( 0.975 7.720 -0.678) 7.811 1.868 ( -0.580 -2.084 -0.897) 2.342 1.921 ( 1.980 2.997 1.887) 4.057 2.095 ( -0.971 4.943 -1.219) 5.183 2.182 ( 1.253 4.538 0.856) 4.785 2.269 ( -0.035 3.951 0.769) 4.025 2.347 ( -2.075 4.571 -1.771) 5.323 2.818 ( 2.179 -0.424 -0.571) 2.292 2.906 ( -5.091 -0.183 -0.851) 5.165 3.114 ( -0.996 0.789 -0.571) 1.393 3.215 ( 0.348 -2.632 0.870) 2.794 3.263 ( 1.518 -0.869 -2.591) 3.126 3.322 ( 3.600 0.833 2.123) 4.262 3.381 ( -3.175 -0.132 -0.986) 3.327 3.404 ( -1.796 -0.677 7.508) 7.750 3.510 ( -2.745 -0.687 -2.657) 3.882 3.534 ( 3.771 -1.227 -0.791) 4.043 3.723 ( 3.668 1.090 1.023) 3.961 3.792 ( -2.696 -2.972 -1.338) 4.230 3.867 ( 6.898 2.915 4.189) 8.581 3.888 ( -4.552 1.782 -2.542) 5.510 4.108 ( -2.949 4.673 -2.009) 5.879 4.207 ( 4.370 -0.336 1.396) 4.600 4.237 ( -1.534 -1.416 0.794) 2.234 4.346 ( 1.283 -2.891 -0.744) 3.250 4.352 ( -3.289 4.591 -1.229) 5.779 4.407 ( 0.630 1.314 0.892) 1.709 4.453 ( 1.853 0.528 -0.533) 1.999 4.499 ( -2.590 1.719 -1.326) 3.379 4.672 ( 1.134 -0.544 1.306) 1.813 4.697 ( -3.951 1.641 -1.337) 4.482 4.755 ( 2.252 1.716 0.169) 2.837 4.933 ( 0.981 -0.845 1.417) 1.920 4.944 ( -1.170 -3.612 -0.289) 3.808 5.036 ( 0.841 -0.283 0.557) 1.047 5.077 ( -0.247 -1.144 0.124) 1.177 5.123 ( -0.164 -1.601 0.490) 1.683 5.158 ( -0.690 -2.121 -2.325) 3.221 5.200 ( 0.300 -3.083 0.051) 3.098 ======================= Grid point 13 (10/105) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 7.617 0.000) 7.617 0.664 ( 0.000 2.589 0.000) 2.589 0.805 ( 0.000 10.342 0.000) 10.342 0.834 ( 0.000 12.350 0.000) 12.350 1.097 ( -0.000 -0.839 -0.000) 0.839 1.113 ( 0.000 5.829 0.000) 5.829 1.397 ( 0.000 -4.725 0.000) 4.725 1.538 ( 0.000 -2.761 0.000) 2.761 1.677 ( 0.000 -2.511 0.000) 2.511 1.828 ( 0.000 7.778 0.000) 7.778 1.858 ( 0.000 -2.586 0.000) 2.586 1.958 ( 0.000 2.531 0.000) 2.531 2.075 ( 0.000 5.370 0.000) 5.370 2.212 ( 0.000 5.002 0.000) 5.002 2.254 ( 0.000 -0.562 0.000) 0.562 2.316 ( 0.000 7.055 0.000) 7.055 2.829 ( 0.000 1.809 0.000) 1.809 2.845 ( 0.000 0.159 0.000) 0.159 3.104 ( -0.000 0.693 -0.000) 0.693 3.212 ( 0.000 -2.578 0.000) 2.578 3.259 ( 0.000 -0.584 0.000) 0.584 3.363 ( 0.000 -0.750 0.000) 0.750 3.401 ( -0.000 0.719 0.000) 0.719 3.418 ( 0.000 -0.366 0.000) 0.366 3.466 ( 0.000 -0.257 0.000) 0.257 3.628 ( -0.000 2.016 -0.000) 2.016 3.676 ( 0.000 -5.620 0.000) 5.620 3.812 ( 0.000 -0.973 0.000) 0.973 3.821 ( 0.000 2.702 0.000) 2.702 3.988 ( 0.000 1.902 0.000) 1.902 4.013 ( 0.000 3.751 -0.000) 3.751 4.230 ( 0.000 -2.061 0.000) 2.061 4.249 ( -0.000 -0.995 -0.000) 0.995 4.282 ( 0.000 3.676 0.000) 3.676 4.376 ( 0.000 0.853 0.000) 0.853 4.390 ( -0.000 1.158 -0.000) 1.158 4.475 ( 0.000 1.213 0.000) 1.213 4.547 ( 0.000 0.813 0.000) 0.813 4.590 ( -0.000 2.310 0.000) 2.310 4.703 ( -0.000 0.761 0.000) 0.761 4.779 ( 0.000 -0.023 0.000) 0.023 4.929 ( 0.000 -4.098 0.000) 4.098 4.955 ( 0.000 -0.260 0.000) 0.260 5.048 ( -0.000 0.980 -0.000) 0.980 5.073 ( 0.000 -1.783 0.000) 1.783 5.122 ( 0.000 -3.391 0.000) 3.391 5.136 ( 0.000 -0.332 -0.000) 0.332 5.205 ( 0.000 -3.204 0.000) 3.204 ======================= Grid point 18 (11/105) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 14.277 0.000) 14.277 0.542 ( 0.000 14.383 0.000) 14.383 1.032 ( 0.000 7.829 0.000) 7.829 1.084 ( 0.000 10.445 0.000) 10.445 1.125 ( 0.000 4.239 0.000) 4.239 1.247 ( 0.000 19.783 0.000) 19.783 1.301 ( 0.000 8.355 0.000) 8.355 1.373 ( 0.000 -4.191 0.000) 4.191 1.593 ( 0.000 -8.988 0.000) 8.988 1.791 ( 0.000 -8.610 0.000) 8.610 1.939 ( 0.000 6.560 0.000) 6.560 2.003 ( 0.000 6.685 0.000) 6.685 2.136 ( 0.000 5.440 0.000) 5.440 2.332 ( 0.000 5.672 0.000) 5.672 2.421 ( 0.000 7.091 0.000) 7.091 2.481 ( 0.000 3.983 0.000) 3.983 2.803 ( 0.000 -0.044 0.000) 0.044 2.915 ( 0.000 -1.187 0.000) 1.187 3.151 ( 0.000 -1.761 0.000) 1.761 3.165 ( 0.000 -3.082 0.000) 3.082 3.215 ( 0.000 -3.213 0.000) 3.213 3.309 ( 0.000 -1.593 0.000) 1.593 3.386 ( 0.000 -0.613 0.000) 0.613 3.456 ( 0.000 0.980 0.000) 0.980 3.519 ( 0.000 0.022 0.000) 0.022 3.530 ( 0.000 -1.080 0.000) 1.080 3.641 ( 0.000 4.638 0.000) 4.638 3.718 ( 0.000 3.033 0.000) 3.033 3.855 ( 0.000 7.798 0.000) 7.798 3.982 ( 0.000 1.268 0.000) 1.268 4.047 ( 0.000 -2.636 0.000) 2.636 4.191 ( 0.000 3.477 0.000) 3.477 4.290 ( 0.000 -2.294 0.000) 2.294 4.328 ( 0.000 4.607 0.000) 4.607 4.367 ( 0.000 3.401 0.000) 3.401 4.464 ( 0.000 0.053 0.000) 0.053 4.518 ( 0.000 0.422 0.000) 0.422 4.615 ( 0.000 0.921 0.000) 0.921 4.616 ( 0.000 2.886 0.000) 2.886 4.795 ( 0.000 -3.339 0.000) 3.339 4.845 ( 0.000 -0.714 0.000) 0.714 4.865 ( 0.000 -1.017 0.000) 1.017 4.870 ( 0.000 -5.020 0.000) 5.020 4.944 ( 0.000 -4.295 0.000) 4.295 5.065 ( 0.000 -2.270 0.000) 2.270 5.085 ( 0.000 -5.091 0.000) 5.091 5.110 ( 0.000 -4.334 0.000) 4.334 5.138 ( 0.000 -2.629 0.000) 2.629 ======================= Grid point 19 (12/105) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 3.192 12.530 1.316) 12.997 0.717 ( 11.376 9.135 6.117) 15.821 1.000 ( -3.277 4.697 -3.442) 6.682 1.067 ( -1.567 9.453 -0.664) 9.605 1.089 ( 1.187 6.077 -2.105) 6.540 1.263 ( -1.796 12.035 -0.460) 12.177 1.280 ( -0.453 14.670 3.619) 15.117 1.371 ( 0.956 -2.299 -2.329) 3.409 1.604 ( 0.500 -8.291 0.718) 8.337 1.786 ( -0.954 -8.034 1.075) 8.161 1.953 ( 0.892 5.777 0.272) 5.851 1.994 ( -0.231 6.388 -1.029) 6.475 2.175 ( 3.413 6.073 0.089) 6.967 2.326 ( -0.686 6.477 -0.659) 6.546 2.394 ( -1.248 6.098 -1.549) 6.414 2.484 ( 0.287 4.403 0.301) 4.423 2.828 ( -1.008 -0.415 0.301) 1.130 2.846 ( -2.654 -2.062 1.784) 3.805 3.116 ( 0.375 -1.654 -3.273) 3.686 3.201 ( 2.561 -3.305 -1.722) 4.522 3.244 ( -0.958 -1.959 1.369) 2.575 3.286 ( -0.781 -1.516 3.428) 3.829 3.414 ( -1.755 1.689 0.164) 2.441 3.505 ( -1.606 -0.262 1.638) 2.309 3.514 ( 3.386 -0.604 3.772) 5.105 3.544 ( 1.040 -1.924 -2.904) 3.636 3.656 ( -0.788 3.802 0.120) 3.885 3.692 ( 2.063 3.235 -1.054) 3.979 3.852 ( 2.643 5.641 -1.010) 6.311 3.890 ( -3.748 0.288 -1.930) 4.225 4.118 ( 4.777 1.451 1.640) 5.255 4.205 ( -3.179 -3.866 -2.925) 5.797 4.315 ( 0.717 1.747 -0.514) 1.957 4.335 ( 0.697 4.012 1.494) 4.337 4.376 ( 1.441 2.905 0.286) 3.255 4.431 ( 0.777 3.451 1.287) 3.764 4.530 ( -1.475 -0.094 -0.558) 1.580 4.551 ( -0.706 3.767 0.915) 3.940 4.703 ( 0.858 0.432 0.189) 0.979 4.749 ( -2.993 -2.816 -1.376) 4.334 4.801 ( -0.326 -1.277 0.469) 1.399 4.869 ( -0.221 -1.884 0.545) 1.974 4.896 ( 1.079 -3.993 -0.499) 4.166 4.966 ( 1.012 -3.638 -0.205) 3.781 5.041 ( -2.241 -2.505 -0.342) 3.378 5.064 ( 0.056 -2.212 0.395) 2.248 5.122 ( 0.493 -5.677 -0.683) 5.739 5.138 ( 0.206 -2.706 -0.394) 2.742 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 4.118 9.601 2.376) 10.714 0.891 ( 1.170 6.455 -0.581) 6.586 0.948 ( 4.398 7.046 -1.438) 8.430 1.022 ( -3.756 6.676 -1.149) 7.746 1.150 ( 2.416 2.060 2.602) 4.105 1.176 ( -1.650 10.260 -1.386) 10.484 1.342 ( 1.750 14.552 0.477) 14.665 1.379 ( 2.022 -1.683 1.074) 2.842 1.616 ( -0.087 -6.677 0.478) 6.695 1.780 ( -0.893 -7.059 1.271) 7.228 1.969 ( 0.347 4.578 -0.009) 4.591 1.980 ( 0.590 6.274 -1.711) 6.530 2.221 ( 1.309 5.632 -1.206) 5.906 2.298 ( -1.352 7.307 0.073) 7.431 2.369 ( -0.795 5.563 0.702) 5.663 2.495 ( 0.314 5.733 -0.798) 5.796 2.770 ( 0.497 -1.350 -1.515) 2.089 2.893 ( 0.787 -2.534 2.413) 3.586 3.116 ( 1.784 -1.117 -0.789) 2.248 3.207 ( -1.972 -1.178 0.724) 2.409 3.231 ( 1.393 -1.744 -2.818) 3.595 3.306 ( -2.394 -0.395 3.379) 4.160 3.356 ( -3.889 0.667 4.814) 6.225 3.462 ( -2.325 -1.797 -4.162) 5.094 3.496 ( 0.277 1.745 -1.835) 2.548 3.583 ( -0.889 -0.241 1.554) 1.807 3.707 ( 5.028 3.611 0.745) 6.235 3.751 ( 2.550 0.646 0.221) 2.640 3.773 ( -1.932 -0.626 -0.962) 2.247 4.005 ( 5.309 4.346 1.776) 7.087 4.119 ( 0.791 -2.605 -1.616) 3.166 4.186 ( 0.862 2.500 0.050) 2.645 4.293 ( -2.113 0.157 -1.402) 2.541 4.338 ( -1.880 3.918 -0.649) 4.393 4.385 ( 1.787 1.187 -1.263) 2.489 4.461 ( -0.772 3.218 1.432) 3.605 4.509 ( 0.132 3.314 -0.240) 3.325 4.596 ( 0.005 0.348 2.680) 2.703 4.611 ( -2.571 0.188 -1.117) 2.810 4.755 ( 1.065 -0.794 -0.566) 1.444 4.798 ( -1.675 1.637 -0.528) 2.401 4.872 ( 0.733 -2.806 0.686) 2.980 4.897 ( -0.216 -3.145 -0.648) 3.218 4.970 ( 0.819 -3.532 -1.066) 3.779 5.031 ( 0.210 -2.619 1.316) 2.939 5.071 ( -0.216 -3.182 0.428) 3.218 5.118 ( -0.071 -4.971 -0.258) 4.978 5.135 ( 0.129 -2.569 -0.782) 2.689 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 2.248 7.776 2.101) 8.363 0.857 ( -7.555 6.880 -4.493) 11.163 0.946 ( 3.479 5.603 1.527) 6.770 1.021 ( 3.446 3.410 0.653) 4.892 1.121 ( -0.055 15.165 -0.600) 15.176 1.280 ( 3.395 2.285 2.995) 5.071 1.340 ( 0.129 8.507 -1.630) 8.662 1.447 ( 2.198 -1.196 1.424) 2.879 1.608 ( -0.872 -5.378 0.078) 5.449 1.781 ( -0.226 -5.591 1.283) 5.741 1.959 ( -0.301 4.461 -0.958) 4.573 1.991 ( 1.181 3.719 -0.657) 3.957 2.207 ( -0.573 6.031 -1.271) 6.190 2.281 ( -0.783 5.189 0.547) 5.277 2.374 ( -0.633 6.069 -0.026) 6.102 2.459 ( -1.977 5.092 -0.835) 5.525 2.809 ( 2.941 -0.351 -0.087) 2.963 2.907 ( 0.185 0.018 -1.501) 1.513 3.132 ( -1.054 0.666 0.049) 1.248 3.170 ( -0.650 -1.061 0.273) 1.274 3.232 ( 1.230 -2.236 -2.073) 3.288 3.327 ( 2.551 -0.200 1.663) 3.051 3.380 ( -2.717 -1.287 4.050) 5.043 3.385 ( -1.997 -0.432 5.683) 6.039 3.500 ( 2.142 0.706 -3.550) 4.206 3.545 ( -1.596 1.946 -0.178) 2.523 3.734 ( -0.705 -0.453 -2.480) 2.618 3.762 ( 1.310 0.398 0.194) 1.382 3.887 ( 5.769 0.946 2.527) 6.368 3.970 ( -2.013 4.697 -1.381) 5.294 4.168 ( -5.734 -1.026 -2.762) 6.447 4.220 ( 2.333 1.277 1.261) 2.943 4.239 ( 0.122 1.641 -0.698) 1.788 4.287 ( 2.722 -0.067 -0.514) 2.771 4.415 ( -0.327 2.090 -0.447) 2.162 4.445 ( -1.445 0.922 -2.125) 2.730 4.491 ( 1.220 3.146 2.256) 4.059 4.566 ( -1.094 5.360 0.693) 5.514 4.657 ( 0.989 -1.077 1.079) 1.818 4.719 ( -3.338 -0.064 -0.477) 3.373 4.781 ( 0.603 0.695 -1.092) 1.428 4.866 ( -0.676 -3.215 -1.223) 3.505 4.918 ( 1.645 -1.013 1.477) 2.432 4.994 ( 1.928 -3.851 0.020) 4.307 5.037 ( -0.817 -3.546 -0.144) 3.642 5.068 ( -0.335 -2.323 0.865) 2.501 5.120 ( 0.296 -4.617 0.009) 4.627 5.125 ( -0.367 -1.948 -0.865) 2.163 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 9.405 0.000) 9.405 0.763 ( 0.000 7.307 0.000) 7.307 0.985 ( 0.000 6.439 -0.000) 6.439 1.080 ( 0.000 -0.817 0.000) 0.817 1.119 ( 0.000 15.221 0.000) 15.221 1.322 ( 0.000 14.749 0.000) 14.749 1.338 ( 0.000 -1.718 0.000) 1.718 1.474 ( 0.000 -3.121 0.000) 3.121 1.597 ( 0.000 -5.025 0.000) 5.025 1.790 ( 0.000 -4.536 0.000) 4.536 1.948 ( 0.000 3.245 0.000) 3.245 2.001 ( 0.000 2.301 0.000) 2.301 2.197 ( 0.000 7.070 0.000) 7.070 2.282 ( 0.000 3.429 -0.000) 3.429 2.334 ( 0.000 5.541 0.000) 5.541 2.448 ( 0.000 5.352 0.000) 5.352 2.848 ( 0.000 0.169 0.000) 0.169 2.885 ( 0.000 3.294 0.000) 3.294 3.122 ( -0.000 0.918 -0.000) 0.918 3.160 ( 0.000 -1.857 0.000) 1.857 3.233 ( 0.000 -1.954 0.000) 1.954 3.345 ( 0.000 -1.211 0.000) 1.211 3.407 ( -0.000 -0.343 0.000) 0.343 3.415 ( 0.000 0.966 -0.000) 0.966 3.496 ( 0.000 2.546 0.000) 2.546 3.567 ( -0.000 -4.676 0.000) 4.676 3.664 ( 0.000 1.722 0.000) 1.722 3.793 ( 0.000 -1.064 0.000) 1.064 3.900 ( 0.000 4.946 0.000) 4.946 4.019 ( 0.000 1.076 0.000) 1.076 4.082 ( 0.000 2.713 0.000) 2.713 4.168 ( -0.000 -2.225 -0.000) 2.225 4.262 ( -0.000 2.671 0.000) 2.671 4.367 ( 0.000 1.457 0.000) 1.457 4.388 ( -0.000 0.313 0.000) 0.313 4.415 ( 0.000 2.720 -0.000) 2.720 4.544 ( 0.000 5.255 0.000) 5.255 4.562 ( 0.000 0.538 -0.000) 0.538 4.612 ( 0.000 0.489 0.000) 0.489 4.723 ( 0.000 0.546 0.000) 0.546 4.770 ( 0.000 -0.998 0.000) 0.998 4.851 ( 0.000 -3.207 0.000) 3.207 4.952 ( 0.000 0.192 0.000) 0.192 5.008 ( -0.000 -5.168 -0.000) 5.168 5.026 ( 0.000 -2.884 0.000) 2.884 5.073 ( 0.000 -1.077 0.000) 1.077 5.112 ( 0.000 -2.197 0.000) 2.197 5.124 ( 0.000 -4.539 0.000) 4.539 ======================= Grid point 27 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 13.684 0.000) 13.684 0.819 ( 0.000 13.490 0.000) 13.490 1.053 ( 0.000 -2.536 0.000) 2.536 1.199 ( 0.000 2.717 0.000) 2.717 1.226 ( 0.000 5.567 0.000) 5.567 1.322 ( 0.000 -1.202 0.000) 1.202 1.350 ( 0.000 -10.067 0.000) 10.067 1.510 ( 0.000 -0.257 0.000) 0.257 1.670 ( 0.000 6.319 0.000) 6.319 1.712 ( 0.000 18.656 0.000) 18.656 1.992 ( 0.000 -1.869 0.000) 1.869 2.096 ( 0.000 1.813 0.000) 1.813 2.254 ( 0.000 5.929 0.000) 5.929 2.389 ( 0.000 0.204 0.000) 0.204 2.547 ( 0.000 4.996 0.000) 4.996 2.558 ( 0.000 3.456 0.000) 3.456 2.811 ( 0.000 0.945 0.000) 0.945 2.886 ( 0.000 -1.913 0.000) 1.913 3.107 ( 0.000 -2.206 0.000) 2.206 3.115 ( 0.000 -1.754 0.000) 1.754 3.180 ( 0.000 -0.390 0.000) 0.390 3.259 ( 0.000 -3.223 0.000) 3.223 3.392 ( 0.000 1.049 0.000) 1.049 3.465 ( 0.000 -1.195 0.000) 1.195 3.509 ( 0.000 0.146 0.000) 0.146 3.518 ( 0.000 0.127 0.000) 0.127 3.728 ( 0.000 3.386 0.000) 3.386 3.763 ( 0.000 1.251 0.000) 1.251 3.962 ( 0.000 1.250 0.000) 1.250 4.001 ( 0.000 -0.051 0.000) 0.051 4.067 ( 0.000 6.006 0.000) 6.006 4.203 ( 0.000 -0.940 0.000) 0.940 4.337 ( 0.000 6.276 0.000) 6.276 4.387 ( 0.000 1.906 0.000) 1.906 4.426 ( 0.000 1.760 0.000) 1.760 4.458 ( 0.000 -2.296 0.000) 2.296 4.480 ( 0.000 -0.940 0.000) 0.940 4.612 ( 0.000 -2.028 0.000) 2.028 4.711 ( 0.000 -4.510 0.000) 4.510 4.713 ( 0.000 5.229 0.000) 5.229 4.773 ( 0.000 -4.567 0.000) 4.567 4.819 ( 0.000 -0.349 0.000) 0.349 4.869 ( 0.000 0.030 0.000) 0.030 4.872 ( 0.000 -2.588 0.000) 2.588 4.994 ( 0.000 -3.423 0.000) 3.423 5.013 ( 0.000 -3.400 0.000) 3.400 5.034 ( 0.000 -2.169 0.000) 2.169 5.082 ( 0.000 -2.883 0.000) 2.883 ======================= Grid point 28 (17/105) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 1.249 12.442 0.694) 12.524 0.911 ( 6.464 10.082 3.190) 12.394 1.049 ( -0.391 -1.110 1.130) 1.631 1.148 ( -4.438 3.506 -3.517) 6.660 1.186 ( -1.134 3.687 -0.904) 3.962 1.321 ( 1.198 -1.044 -0.619) 1.706 1.394 ( 1.798 -6.669 1.696) 7.113 1.473 ( -2.213 -1.290 -1.360) 2.900 1.681 ( 0.393 5.789 1.145) 5.915 1.703 ( -1.020 17.189 0.005) 17.220 2.000 ( 0.473 -1.753 -0.085) 1.818 2.079 ( -1.014 1.432 -0.669) 1.878 2.293 ( 2.888 5.322 0.041) 6.055 2.391 ( 0.764 0.787 -0.845) 1.385 2.528 ( -0.576 6.545 -1.554) 6.751 2.571 ( 0.262 3.880 0.897) 3.991 2.806 ( -3.144 -1.827 2.569) 4.452 2.818 ( -3.007 -1.111 0.458) 3.238 3.094 ( 0.803 -0.555 -2.513) 2.696 3.136 ( 2.934 -2.738 -2.077) 4.519 3.217 ( -0.701 -0.633 1.527) 1.795 3.255 ( 0.499 -1.785 3.199) 3.697 3.445 ( 0.196 1.230 0.932) 1.556 3.492 ( -0.208 -0.145 1.571) 1.591 3.499 ( -0.366 -1.786 1.667) 2.470 3.518 ( 1.726 -0.405 -1.244) 2.165 3.734 ( 0.329 3.335 -0.156) 3.355 3.754 ( 0.733 2.134 -0.747) 2.377 3.876 ( -4.022 1.643 -3.368) 5.497 3.977 ( 1.569 2.344 -0.411) 2.850 4.109 ( -0.203 -0.303 -2.035) 2.067 4.183 ( 1.290 0.788 -0.395) 1.562 4.347 ( -1.077 1.626 -1.439) 2.424 4.417 ( 1.543 3.651 1.670) 4.301 4.433 ( 0.685 1.943 -0.153) 2.066 4.473 ( 1.254 1.443 2.701) 3.309 4.522 ( 3.140 0.425 1.827) 3.658 4.606 ( -1.570 0.602 0.600) 1.786 4.687 ( -0.532 -2.616 -2.269) 3.504 4.730 ( -1.505 0.846 -2.841) 3.324 4.759 ( -0.085 -2.224 1.505) 2.686 4.796 ( -0.171 -2.850 1.835) 3.394 4.882 ( 1.273 -0.101 -0.008) 1.277 4.882 ( 1.358 -3.567 -1.112) 3.975 4.993 ( -2.015 -2.048 -0.056) 2.874 5.012 ( -0.226 -3.700 -0.215) 3.713 5.024 ( 0.490 -2.127 0.572) 2.257 5.082 ( 0.053 -3.142 -0.505) 3.183 ======================= Grid point 29 (18/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 1.899 10.184 1.434) 10.458 1.009 ( 1.587 2.206 0.876) 2.855 1.040 ( -1.898 4.819 -2.263) 5.652 1.094 ( -1.665 2.089 0.153) 2.676 1.175 ( 3.279 3.343 2.092) 5.129 1.349 ( 2.382 0.172 -1.209) 2.677 1.390 ( -1.613 2.435 -0.164) 2.926 1.474 ( 1.478 -7.015 1.379) 7.301 1.670 ( -2.100 11.804 -0.515) 12.000 1.704 ( 0.572 7.515 1.550) 7.695 1.996 ( -0.457 -2.396 -1.093) 2.673 2.054 ( -0.472 0.336 -1.329) 1.449 2.324 ( 0.769 4.747 -0.178) 4.812 2.398 ( -0.058 2.327 0.859) 2.482 2.488 ( -2.831 6.121 -0.253) 6.749 2.589 ( 0.047 3.066 -1.404) 3.372 2.752 ( 0.553 -0.174 0.126) 0.593 2.846 ( 2.284 -2.441 0.040) 3.343 3.104 ( 1.767 -0.129 -0.605) 1.872 3.161 ( 2.006 -2.763 -2.056) 3.986 3.221 ( -0.858 0.721 3.153) 3.346 3.293 ( -1.446 -1.198 4.592) 4.961 3.369 ( -5.481 0.493 1.139) 5.620 3.419 ( -3.775 -2.113 -2.482) 4.987 3.537 ( 1.392 1.982 0.099) 2.424 3.584 ( 1.315 -0.023 2.728) 3.029 3.752 ( 2.314 1.587 -1.588) 3.224 3.770 ( 0.971 0.593 -1.341) 1.758 3.825 ( 1.568 5.399 -1.055) 5.720 4.039 ( 4.161 -4.494 0.018) 6.125 4.088 ( 1.960 3.305 -1.379) 4.083 4.198 ( -1.097 -1.329 -0.388) 1.766 4.316 ( -1.853 2.473 -0.861) 3.208 4.420 ( 0.799 0.804 -1.955) 2.260 4.437 ( -0.480 5.141 0.683) 5.208 4.509 ( -2.715 1.354 -0.571) 3.087 4.542 ( -0.599 2.541 1.568) 3.045 4.605 ( -0.830 0.005 -0.532) 0.985 4.644 ( 1.413 1.764 2.107) 3.091 4.711 ( -0.199 -2.839 -0.759) 2.945 4.791 ( 0.982 -3.418 -0.070) 3.557 4.814 ( 2.383 -2.574 1.743) 3.917 4.882 ( -1.253 2.116 -2.113) 3.242 4.915 ( 1.782 -1.087 -1.127) 2.372 4.974 ( 1.180 -3.731 1.909) 4.354 4.984 ( -1.749 -3.478 -0.609) 3.941 5.043 ( -0.297 -2.760 0.473) 2.816 5.077 ( 0.294 -3.411 -0.321) 3.438 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.660 8.196 1.349) 8.470 0.979 ( -4.281 3.563 -0.725) 5.617 1.041 ( 1.032 3.098 -0.908) 3.389 1.052 ( 1.343 3.020 0.548) 3.351 1.274 ( 3.019 -0.197 1.629) 3.436 1.357 ( 0.114 5.002 -0.691) 5.050 1.406 ( 1.673 -0.274 1.341) 2.162 1.499 ( 0.168 -5.129 0.234) 5.137 1.624 ( -1.938 10.865 -0.518) 11.049 1.737 ( 1.173 6.409 1.822) 6.766 1.964 ( -1.171 -3.485 -1.744) 4.069 2.040 ( 0.195 -0.253 -1.040) 1.088 2.335 ( 0.493 6.433 0.184) 6.455 2.379 ( -2.334 4.224 -0.089) 4.827 2.459 ( -1.427 2.186 -0.069) 2.611 2.515 ( -2.990 0.490 -1.576) 3.416 2.814 ( 3.874 1.082 -0.292) 4.033 2.892 ( 3.389 -1.651 -2.039) 4.286 3.131 ( 1.009 -0.175 -0.200) 1.044 3.172 ( 0.403 -1.311 -0.611) 1.502 3.207 ( -1.872 1.899 0.235) 2.677 3.327 ( 1.739 0.429 3.861) 4.256 3.335 ( -3.125 -2.918 2.212) 4.814 3.373 ( 0.079 -1.059 6.954) 7.035 3.539 ( -0.167 2.755 -2.027) 3.424 3.586 ( -2.264 1.484 -0.385) 2.735 3.736 ( -0.283 0.910 -3.893) 4.008 3.770 ( 0.852 0.028 -1.849) 2.036 3.935 ( 7.148 4.094 1.829) 8.438 4.047 ( -0.433 2.479 -1.814) 3.102 4.129 ( -4.231 -1.921 -1.404) 4.854 4.174 ( 3.617 -4.346 0.505) 5.677 4.274 ( 0.022 3.421 -0.103) 3.423 4.387 ( -2.133 5.622 -1.097) 6.112 4.429 ( -2.071 -2.013 -1.720) 3.362 4.467 ( 1.180 3.060 0.069) 3.280 4.548 ( -0.447 1.986 2.433) 3.172 4.616 ( -0.204 -2.030 0.222) 2.052 4.668 ( -0.534 1.931 0.602) 2.092 4.699 ( 0.064 -0.555 0.845) 1.013 4.789 ( -1.818 0.633 -1.310) 2.328 4.835 ( 0.603 0.233 -1.653) 1.775 4.900 ( 0.302 -1.258 -1.090) 1.691 4.910 ( 3.349 -3.581 1.028) 5.009 4.965 ( -0.414 -2.713 0.451) 2.782 5.029 ( 1.618 -2.892 1.290) 3.556 5.033 ( -0.433 -2.696 0.375) 2.757 5.076 ( -0.441 -2.876 -0.515) 2.955 ======================= Grid point 31 (20/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 7.805 0.000) 7.805 0.927 ( 0.000 8.074 0.000) 8.074 1.059 ( 0.000 -1.327 0.000) 1.327 1.072 ( 0.000 2.780 -0.000) 2.780 1.311 ( -0.000 -1.005 0.000) 1.005 1.355 ( 0.000 5.059 -0.000) 5.059 1.433 ( 0.000 -0.875 0.000) 0.875 1.497 ( 0.000 -4.006 0.000) 4.006 1.602 ( 0.000 10.648 0.000) 10.648 1.765 ( 0.000 6.427 0.000) 6.427 1.938 ( 0.000 -3.794 0.000) 3.794 2.038 ( 0.000 -0.104 0.000) 0.104 2.341 ( 0.000 6.110 0.000) 6.110 2.362 ( 0.000 4.687 -0.000) 4.687 2.398 ( 0.000 1.119 0.000) 1.119 2.508 ( 0.000 0.519 0.000) 0.519 2.854 ( 0.000 0.637 0.000) 0.637 2.913 ( 0.000 -0.930 0.000) 0.930 3.135 ( 0.000 0.496 -0.000) 0.496 3.165 ( 0.000 1.424 0.000) 1.424 3.197 ( 0.000 -0.531 0.000) 0.531 3.308 ( 0.000 -2.554 0.000) 2.554 3.414 ( -0.000 1.049 0.000) 1.049 3.443 ( -0.000 1.387 -0.000) 1.387 3.506 ( -0.000 -1.218 0.000) 1.218 3.533 ( 0.000 0.708 0.000) 0.708 3.699 ( 0.000 1.842 0.000) 1.842 3.768 ( 0.000 -1.468 0.000) 1.468 4.006 ( 0.000 5.544 0.000) 5.544 4.039 ( 0.000 1.233 0.000) 1.233 4.115 ( 0.000 0.583 0.000) 0.583 4.151 ( -0.000 0.149 -0.000) 0.149 4.346 ( 0.000 -2.297 0.000) 2.297 4.347 ( -0.000 5.482 -0.000) 5.482 4.374 ( -0.000 -2.076 -0.000) 2.076 4.478 ( 0.000 2.121 0.000) 2.121 4.567 ( 0.000 0.238 0.000) 0.238 4.589 ( 0.000 -0.495 -0.000) 0.495 4.667 ( 0.000 3.003 0.000) 3.003 4.730 ( 0.000 2.120 0.000) 2.120 4.739 ( -0.000 -2.008 -0.000) 2.008 4.827 ( 0.000 1.099 0.000) 1.099 4.901 ( 0.000 -4.982 0.000) 4.982 4.961 ( 0.000 -0.751 0.000) 0.751 4.964 ( -0.000 -2.156 0.000) 2.156 5.034 ( 0.000 -3.590 0.000) 3.590 5.054 ( 0.000 -1.607 -0.000) 1.607 5.057 ( 0.000 -2.713 0.000) 2.713 ======================= Grid point 36 (21/105) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 -8.604 0.000) 8.604 0.946 ( 0.000 8.604 0.000) 8.604 1.077 ( 0.000 -12.726 0.000) 12.726 1.077 ( 0.000 12.726 0.000) 12.726 1.271 ( 0.000 -1.002 0.000) 1.002 1.271 ( 0.000 1.002 0.000) 1.002 1.383 ( 0.000 -7.383 0.000) 7.383 1.383 ( 0.000 7.383 0.000) 7.383 1.872 ( 0.000 -9.809 0.000) 9.809 1.872 ( 0.000 9.809 0.000) 9.809 2.024 ( 0.000 -9.927 0.000) 9.927 2.024 ( 0.000 9.927 0.000) 9.927 2.352 ( 0.000 -3.694 0.000) 3.694 2.352 ( 0.000 3.694 0.000) 3.694 2.597 ( 0.000 -0.002 0.000) 0.002 2.597 ( 0.000 0.002 0.000) 0.002 2.843 ( 0.000 -2.179 0.000) 2.179 2.843 ( 0.000 2.179 0.000) 2.179 3.090 ( 0.000 -0.477 0.000) 0.477 3.090 ( 0.000 0.477 0.000) 0.477 3.200 ( 0.000 -2.288 0.000) 2.288 3.200 ( 0.000 2.288 0.000) 2.288 3.424 ( 0.000 -2.146 0.000) 2.146 3.424 ( 0.000 2.146 0.000) 2.146 3.520 ( 0.000 -0.206 0.000) 0.206 3.520 ( 0.000 0.206 0.000) 0.206 3.766 ( 0.000 -0.799 0.000) 0.799 3.766 ( 0.000 0.799 0.000) 0.799 3.981 ( 0.000 -1.333 0.000) 1.333 3.981 ( 0.000 1.333 0.000) 1.333 4.175 ( 0.000 -3.295 0.000) 3.295 4.175 ( 0.000 3.295 0.000) 3.295 4.412 ( 0.000 -1.150 0.000) 1.150 4.412 ( 0.000 1.150 0.000) 1.150 4.438 ( 0.000 -0.984 0.000) 0.984 4.438 ( 0.000 0.984 0.000) 0.984 4.516 ( 0.000 -5.769 0.000) 5.769 4.516 ( 0.000 5.769 0.000) 5.769 4.682 ( 0.000 -2.073 0.000) 2.073 4.682 ( 0.000 2.073 0.000) 2.073 4.826 ( 0.000 -3.551 0.000) 3.551 4.826 ( 0.000 3.551 0.000) 3.551 4.837 ( 0.000 -0.607 0.000) 0.607 4.837 ( 0.000 0.607 0.000) 0.607 4.966 ( 0.000 -0.619 0.000) 0.619 4.966 ( 0.000 0.619 0.000) 0.619 5.033 ( 0.000 -1.710 0.000) 1.710 5.033 ( 0.000 1.710 0.000) 1.710 ======================= Grid point 38 (22/105) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.314 -7.937 0.427) 7.955 0.945 ( -0.314 7.937 0.427) 7.955 1.112 ( 1.993 -8.142 1.116) 8.456 1.112 ( 1.993 8.142 1.116) 8.456 1.263 ( -0.495 -3.650 0.104) 3.685 1.263 ( -0.495 3.650 0.104) 3.685 1.363 ( -0.381 -5.629 -1.211) 5.771 1.363 ( -0.381 5.629 -1.211) 5.771 1.867 ( -0.981 -8.743 0.851) 8.839 1.867 ( -0.981 8.743 0.851) 8.839 2.009 ( -0.773 -8.592 -1.504) 8.757 2.009 ( -0.773 8.592 -1.504) 8.757 2.373 ( 1.693 -2.584 -0.284) 3.102 2.373 ( 1.693 2.584 -0.284) 3.102 2.610 ( 0.998 -0.845 -0.090) 1.311 2.610 ( 0.998 0.845 -0.090) 1.311 2.791 ( -4.136 -0.751 1.436) 4.443 2.791 ( -4.136 0.751 1.436) 4.443 3.098 ( 1.816 -1.095 -2.038) 2.942 3.098 ( 1.816 1.095 -2.038) 2.942 3.223 ( 0.369 -1.158 2.397) 2.687 3.223 ( 0.369 1.158 2.397) 2.687 3.465 ( 0.241 -1.262 1.758) 2.177 3.465 ( 0.241 1.262 1.758) 2.177 3.505 ( 0.374 -0.969 -0.328) 1.089 3.505 ( 0.374 0.969 -0.328) 1.089 3.769 ( 0.698 -0.339 -0.466) 0.905 3.769 ( 0.698 0.339 -0.466) 0.905 3.938 ( -1.719 -3.873 -1.960) 4.669 3.938 ( -1.719 3.873 -1.960) 4.669 4.163 ( 0.145 -3.116 -1.749) 3.576 4.163 ( 0.145 3.116 -1.749) 3.576 4.388 ( -0.560 -2.564 -0.155) 2.629 4.388 ( -0.560 2.564 -0.155) 2.629 4.516 ( 2.349 -2.035 1.246) 3.349 4.516 ( 2.349 2.035 1.246) 3.349 4.541 ( 2.306 -4.992 2.578) 6.074 4.541 ( 2.306 4.992 2.578) 6.074 4.682 ( 0.963 -2.335 -1.313) 2.846 4.682 ( 0.963 2.335 -1.313) 2.846 4.769 ( -4.160 -2.675 -1.272) 5.107 4.769 ( -4.160 2.675 -1.272) 5.107 4.861 ( 2.161 -2.473 0.767) 3.372 4.861 ( 2.161 2.473 0.767) 3.372 4.976 ( 0.101 -0.696 0.144) 0.717 4.976 ( 0.101 0.696 0.144) 0.717 5.023 ( -0.634 -2.144 -0.387) 2.269 5.023 ( -0.634 2.144 -0.387) 2.269 ======================= Grid point 40 (23/105) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.233 -6.570 0.720) 6.614 0.945 ( -0.233 6.570 0.720) 6.614 1.121 ( -1.227 -0.887 -0.122) 1.519 1.121 ( -1.227 0.887 -0.122) 1.519 1.285 ( 1.830 -7.627 0.590) 7.866 1.285 ( 1.830 7.627 0.590) 7.866 1.374 ( 2.000 -3.259 0.536) 3.861 1.374 ( 2.000 3.259 0.536) 3.861 1.850 ( -1.799 -7.691 0.896) 7.949 1.850 ( -1.799 7.691 0.896) 7.949 1.973 ( -0.710 -7.583 -2.395) 7.984 1.973 ( -0.710 7.583 -2.395) 7.984 2.397 ( 0.829 -2.185 0.971) 2.530 2.397 ( 0.829 2.185 0.971) 2.530 2.585 ( -3.517 -3.256 -1.385) 4.989 2.585 ( -3.517 3.256 -1.385) 4.989 2.787 ( 3.026 -3.257 -0.155) 4.449 2.787 ( 3.026 3.257 -0.155) 4.449 3.116 ( 1.860 -1.512 -1.205) 2.683 3.116 ( 1.860 1.512 -1.205) 2.683 3.254 ( -0.430 -2.313 4.653) 5.214 3.254 ( -0.430 2.313 4.653) 5.214 3.385 ( -5.481 -1.283 -0.856) 5.694 3.385 ( -5.481 1.283 -0.856) 5.694 3.571 ( 2.374 -1.360 1.755) 3.251 3.571 ( 2.374 1.360 1.755) 3.251 3.775 ( 0.972 -0.420 -1.967) 2.234 3.775 ( 0.972 0.420 -1.967) 2.234 3.936 ( 3.232 -5.596 -0.791) 6.511 3.936 ( 3.232 5.596 -0.791) 6.511 4.152 ( -0.096 -2.970 -1.410) 3.289 4.152 ( -0.096 2.970 -1.410) 3.289 4.378 ( -0.794 -3.491 -0.302) 3.593 4.378 ( -0.794 3.491 -0.302) 3.593 4.521 ( -0.987 -3.222 -0.197) 3.375 4.521 ( -0.987 3.222 -0.197) 3.375 4.600 ( -1.048 -3.960 1.152) 4.255 4.600 ( -1.048 3.960 1.152) 4.255 4.657 ( -0.189 -1.990 -0.893) 2.190 4.657 ( -0.189 1.990 -0.893) 2.190 4.761 ( 3.466 -1.177 0.843) 3.756 4.761 ( 3.466 1.177 0.843) 3.756 4.912 ( 1.118 -1.236 1.741) 2.411 4.912 ( 1.118 1.236 1.741) 2.411 4.948 ( -1.197 -2.093 -2.618) 3.559 4.948 ( -1.197 2.093 -2.618) 3.559 5.018 ( -0.006 -1.328 0.725) 1.513 5.018 ( -0.006 1.328 0.725) 1.513 ======================= Grid point 42 (24/105) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.470 -4.297 0.850) 4.406 0.955 ( 0.470 4.297 0.850) 4.406 1.097 ( -1.093 -0.746 -0.123) 1.329 1.097 ( -1.093 0.746 -0.123) 1.329 1.313 ( 0.862 -4.761 0.292) 4.847 1.313 ( 0.862 4.761 0.292) 4.847 1.423 ( 1.714 -2.477 0.666) 3.085 1.423 ( 1.714 2.477 0.666) 3.085 1.821 ( -1.725 -8.916 0.204) 9.084 1.821 ( -1.725 8.916 0.204) 9.084 1.952 ( 0.473 -8.307 -1.069) 8.388 1.952 ( 0.473 8.307 -1.069) 8.388 2.421 ( -0.107 -1.281 0.673) 1.451 2.421 ( -0.107 1.281 0.673) 1.451 2.489 ( -3.425 -2.213 -1.502) 4.346 2.489 ( -3.425 2.213 -1.502) 4.346 2.850 ( 3.750 -2.293 -1.648) 4.694 2.850 ( 3.750 2.293 -1.648) 4.694 3.140 ( 1.394 -1.185 -0.598) 1.925 3.140 ( 1.394 1.185 -0.598) 1.925 3.270 ( -2.698 -3.534 1.531) 4.702 3.270 ( -2.698 3.534 1.531) 4.702 3.347 ( 0.990 -1.397 5.972) 6.212 3.347 ( 0.990 1.397 5.972) 6.212 3.586 ( -1.595 -1.484 -0.819) 2.328 3.586 ( -1.595 1.484 -0.819) 2.328 3.760 ( 0.208 -1.052 -3.692) 3.845 3.760 ( 0.208 1.052 -3.692) 3.845 4.028 ( 5.904 -4.349 0.331) 7.340 4.028 ( 5.904 4.349 0.331) 7.340 4.117 ( -1.829 -1.065 -0.618) 2.205 4.117 ( -1.829 1.065 -0.618) 2.205 4.351 ( -1.235 -4.251 -0.864) 4.510 4.351 ( -1.235 4.251 -0.864) 4.510 4.491 ( -2.016 -2.609 -0.802) 3.394 4.491 ( -2.016 2.609 -0.802) 3.394 4.571 ( -0.819 -1.924 0.904) 2.278 4.571 ( -0.819 1.924 0.904) 2.278 4.683 ( 0.939 -1.082 1.235) 1.891 4.683 ( 0.939 1.082 1.235) 1.891 4.828 ( 1.215 -2.695 -0.290) 2.971 4.828 ( 1.215 2.695 -0.290) 2.971 4.877 ( -0.448 -1.663 -1.680) 2.405 4.877 ( -0.448 1.663 -1.680) 2.405 4.961 ( 1.040 -2.235 0.813) 2.596 4.961 ( 1.040 2.235 0.813) 2.596 5.029 ( 0.264 -1.334 0.594) 1.484 5.029 ( 0.264 1.334 0.594) 1.484 ======================= Grid point 44 (25/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 -4.051 0.000) 4.051 0.968 ( 0.000 4.051 0.000) 4.051 1.083 ( 0.000 -2.347 0.000) 2.347 1.083 ( 0.000 2.347 0.000) 2.347 1.324 ( 0.000 -3.121 0.000) 3.121 1.324 ( 0.000 3.121 0.000) 3.121 1.441 ( 0.000 -1.686 0.000) 1.686 1.441 ( 0.000 1.686 0.000) 1.686 1.803 ( 0.000 -9.515 0.000) 9.515 1.803 ( 0.000 9.515 0.000) 9.515 1.956 ( 0.000 -8.357 0.000) 8.357 1.956 ( 0.000 8.357 0.000) 8.357 2.397 ( 0.000 -1.051 0.000) 1.051 2.397 ( 0.000 1.051 -0.000) 1.051 2.469 ( 0.000 -4.246 0.000) 4.246 2.469 ( 0.000 4.246 0.000) 4.246 2.878 ( 0.000 -1.794 0.000) 1.794 2.878 ( 0.000 1.794 0.000) 1.794 3.150 ( 0.000 -1.170 0.000) 1.170 3.150 ( 0.000 1.170 0.000) 1.170 3.248 ( 0.000 -3.399 0.000) 3.399 3.248 ( 0.000 3.399 0.000) 3.399 3.440 ( -0.000 -1.254 -0.000) 1.254 3.440 ( 0.000 1.254 0.000) 1.254 3.521 ( 0.000 -1.576 0.000) 1.576 3.521 ( -0.000 1.576 -0.000) 1.576 3.735 ( 0.000 -1.782 0.000) 1.782 3.735 ( 0.000 1.782 0.000) 1.782 4.067 ( 0.000 -0.758 -0.000) 0.758 4.067 ( 0.000 0.758 0.000) 0.758 4.136 ( 0.000 -2.335 0.000) 2.335 4.136 ( 0.000 2.335 0.000) 2.335 4.325 ( -0.000 -1.269 0.000) 1.269 4.325 ( 0.000 1.269 0.000) 1.269 4.457 ( 0.000 -4.379 0.000) 4.379 4.457 ( -0.000 4.379 -0.000) 4.379 4.575 ( 0.000 -0.484 0.000) 0.484 4.575 ( 0.000 0.484 -0.000) 0.484 4.699 ( 0.000 -1.792 0.000) 1.792 4.699 ( -0.000 1.792 0.000) 1.792 4.810 ( 0.000 -4.191 0.000) 4.191 4.810 ( 0.000 4.191 0.000) 4.191 4.888 ( 0.000 -3.922 0.000) 3.922 4.888 ( 0.000 3.922 0.000) 3.922 4.977 ( 0.000 -1.679 0.000) 1.679 4.977 ( 0.000 1.679 0.000) 1.679 5.034 ( 0.000 -0.284 0.000) 0.284 5.034 ( 0.000 0.284 0.000) 0.284 ======================= Grid point 81 (26/105) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 3.291 0.000 12.154) 12.591 0.258 ( 19.002 0.000 13.650) 23.396 0.505 ( -5.142 0.000 26.680) 27.171 0.661 ( -1.310 0.000 -0.603) 1.442 0.957 ( -6.790 0.000 -8.004) 10.496 1.183 ( 0.478 0.000 4.231) 4.258 1.221 ( -2.888 0.000 3.625) 4.634 1.538 ( 0.830 0.000 -7.501) 7.546 1.703 ( -0.616 0.000 -1.506) 1.628 1.715 ( 2.249 0.000 -0.877) 2.415 1.818 ( -1.878 0.000 4.277) 4.672 1.962 ( -1.516 0.000 -4.014) 4.291 1.981 ( 2.309 0.000 -3.189) 3.937 2.165 ( 1.492 0.000 5.356) 5.560 2.211 ( -1.877 0.000 -2.225) 2.910 2.348 ( 1.414 0.000 -2.484) 2.859 2.794 ( 5.892 0.000 -1.273) 6.027 2.929 ( -8.162 0.000 -3.353) 8.824 3.175 ( -1.986 0.000 -0.973) 2.212 3.228 ( -1.185 0.000 -0.559) 1.310 3.343 ( 0.014 0.000 -1.315) 1.315 3.376 ( 4.609 0.000 -4.115) 6.179 3.449 ( 4.337 0.000 2.643) 5.079 3.486 ( 2.192 0.000 0.967) 2.396 3.522 ( 2.421 0.000 0.023) 2.421 3.553 ( -7.885 0.000 2.396) 8.241 3.663 ( -3.210 0.000 -1.721) 3.642 3.675 ( -6.395 0.000 1.520) 6.573 3.806 ( 8.257 0.000 4.606) 9.455 4.025 ( -5.540 0.000 -1.088) 5.646 4.113 ( -14.446 0.000 1.828) 14.562 4.157 ( 0.523 0.000 3.140) 3.184 4.173 ( 7.683 0.000 -0.804) 7.725 4.287 ( 0.128 0.000 -0.802) 0.812 4.368 ( 3.414 0.000 -0.577) 3.463 4.383 ( 0.947 0.000 0.257) 0.981 4.478 ( -9.188 0.000 -4.089) 10.057 4.555 ( -0.321 0.000 -2.501) 2.522 4.647 ( 5.132 0.000 4.472) 6.807 4.734 ( -0.708 0.000 1.649) 1.794 4.818 ( 0.419 0.000 -0.525) 0.672 4.843 ( 0.264 0.000 -1.985) 2.002 5.031 ( -0.077 0.000 0.389) 0.396 5.047 ( -0.350 0.000 -0.050) 0.353 5.061 ( -0.115 0.000 1.029) 1.035 5.113 ( -0.084 0.000 -0.341) 0.351 5.197 ( -0.492 0.000 -0.127) 0.508 5.200 ( 0.373 0.000 -0.229) 0.438 ======================= Grid point 82 (27/105) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 5.622 0.000 7.207) 9.141 0.534 ( -0.499 0.000 15.649) 15.657 0.629 ( -0.057 0.000 0.073) 0.092 0.735 ( -4.582 0.000 -10.134) 11.122 0.899 ( 15.959 0.000 12.848) 20.488 1.171 ( -5.483 0.000 3.551) 6.533 1.210 ( -0.799 0.000 3.551) 3.640 1.462 ( 0.740 0.000 -8.665) 8.697 1.676 ( -0.398 0.000 -1.875) 1.917 1.768 ( 3.520 0.000 -0.182) 3.525 1.818 ( -2.871 0.000 5.050) 5.809 1.905 ( -0.937 0.000 -2.301) 2.484 2.009 ( 3.590 0.000 -3.217) 4.821 2.143 ( -1.726 0.000 -3.916) 4.279 2.227 ( -0.123 0.000 4.389) 4.390 2.339 ( 0.215 0.000 -2.962) 2.970 2.801 ( -2.331 0.000 -6.021) 6.457 2.935 ( 7.441 0.000 2.007) 7.707 3.132 ( -1.706 0.000 -0.444) 1.763 3.201 ( -0.174 0.000 -1.771) 1.779 3.336 ( -0.267 0.000 -0.707) 0.756 3.363 ( -4.621 0.000 -0.762) 4.683 3.443 ( 0.322 0.000 -0.204) 0.381 3.478 ( -3.257 0.000 -1.907) 3.774 3.488 ( -2.563 0.000 0.698) 2.656 3.582 ( -2.589 0.000 2.326) 3.480 3.660 ( 8.911 0.000 3.013) 9.407 3.686 ( 1.171 0.000 3.407) 3.603 3.853 ( 0.272 0.000 6.498) 6.504 3.896 ( -6.003 0.000 -1.272) 6.136 4.104 ( 1.259 0.000 -0.658) 1.421 4.160 ( -1.709 0.000 1.323) 2.161 4.272 ( -0.213 0.000 -1.700) 1.713 4.282 ( -3.993 0.000 -1.862) 4.406 4.332 ( 3.204 0.000 -0.652) 3.269 4.419 ( 2.474 0.000 2.574) 3.570 4.444 ( 3.307 0.000 1.104) 3.487 4.513 ( 0.861 0.000 -1.127) 1.418 4.678 ( -2.120 0.000 1.683) 2.707 4.743 ( -5.421 0.000 -3.425) 6.412 4.779 ( 0.968 0.000 1.466) 1.757 4.866 ( 2.508 0.000 -0.900) 2.665 5.029 ( -0.441 0.000 0.828) 0.938 5.040 ( -0.569 0.000 0.043) 0.571 5.077 ( 0.557 0.000 0.992) 1.137 5.110 ( 0.325 0.000 -0.293) 0.438 5.207 ( 0.664 0.000 -1.774) 1.894 5.208 ( 0.605 0.000 0.020) 0.606 ======================= Grid point 83 (28/105) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 8.060 0.000 3.022) 8.608 0.601 ( 2.823 0.000 -4.004) 4.899 0.686 ( -4.099 0.000 15.923) 16.443 0.699 ( 6.099 0.000 -2.009) 6.422 0.943 ( -12.692 0.000 0.827) 12.719 1.227 ( -1.323 0.000 2.591) 2.909 1.308 ( 9.708 0.000 4.211) 10.582 1.421 ( 3.827 0.000 -7.029) 8.004 1.656 ( 0.011 0.000 -1.082) 1.082 1.812 ( -2.773 0.000 4.655) 5.418 1.831 ( 3.707 0.000 -0.894) 3.813 1.897 ( -0.296 0.000 2.966) 2.980 2.034 ( 1.545 0.000 -3.247) 3.596 2.094 ( 1.259 0.000 -2.734) 3.010 2.247 ( -1.194 0.000 2.429) 2.706 2.299 ( -0.706 0.000 -4.127) 4.187 2.757 ( 2.592 0.000 -2.581) 3.658 3.024 ( -2.732 0.000 0.093) 2.733 3.083 ( -0.934 0.000 -1.788) 2.017 3.191 ( 1.588 0.000 -3.015) 3.408 3.301 ( -1.684 0.000 -0.550) 1.771 3.307 ( -1.829 0.000 3.788) 4.206 3.431 ( -2.024 0.000 0.086) 2.026 3.468 ( 3.144 0.000 -2.504) 4.019 3.498 ( 0.162 0.000 4.805) 4.808 3.553 ( -1.818 0.000 -0.692) 1.945 3.705 ( -1.141 0.000 3.150) 3.350 3.747 ( 1.394 0.000 2.403) 2.778 3.896 ( -2.385 0.000 -0.564) 2.451 3.902 ( 2.199 0.000 2.007) 2.977 4.080 ( -0.752 0.000 -0.527) 0.918 4.128 ( 1.612 0.000 1.437) 2.159 4.279 ( 1.400 0.000 1.364) 1.955 4.285 ( 2.417 0.000 -0.250) 2.430 4.355 ( 1.058 0.000 -0.033) 1.058 4.410 ( -2.545 0.000 -2.665) 3.685 4.455 ( -1.246 0.000 -1.405) 1.878 4.542 ( -5.496 0.000 -3.593) 6.566 4.666 ( 4.535 0.000 1.858) 4.901 4.675 ( -0.038 0.000 2.723) 2.724 4.757 ( -3.654 0.000 -0.238) 3.661 4.901 ( 2.375 0.000 -1.212) 2.667 5.024 ( -1.070 0.000 0.102) 1.074 5.035 ( -0.214 0.000 1.066) 1.087 5.090 ( -0.014 0.000 0.445) 0.446 5.119 ( 0.756 0.000 -0.291) 0.810 5.187 ( -0.716 0.000 -1.727) 1.870 5.224 ( 0.716 0.000 0.582) 0.923 ======================= Grid point 84 (29/105) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -8.427 0.000 -2.683) 8.844 0.652 ( -3.045 0.000 2.278) 3.803 0.693 ( -0.158 0.000 1.725) 1.732 0.804 ( -6.557 0.000 12.518) 14.131 0.904 ( 13.298 0.000 1.397) 13.371 1.189 ( -4.449 0.000 0.323) 4.461 1.441 ( 4.004 0.000 -1.347) 4.225 1.471 ( 6.470 0.000 -4.354) 7.799 1.665 ( 1.485 0.000 0.421) 1.544 1.809 ( -3.332 0.000 5.772) 6.664 1.880 ( 2.795 0.000 -2.291) 3.614 1.925 ( -1.425 0.000 4.574) 4.791 2.006 ( -0.457 0.000 -2.199) 2.246 2.135 ( 3.815 0.000 -1.549) 4.118 2.233 ( -1.322 0.000 -0.359) 1.370 2.245 ( 0.066 0.000 -3.895) 3.896 2.808 ( 3.154 0.000 -0.892) 3.278 2.874 ( -7.167 0.000 -2.393) 7.556 3.074 ( 0.491 0.000 -2.523) 2.570 3.203 ( 2.503 0.000 -2.065) 3.245 3.265 ( -1.064 0.000 -1.662) 1.974 3.340 ( 0.839 0.000 1.181) 1.449 3.379 ( -1.153 0.000 0.326) 1.198 3.506 ( -0.341 0.000 2.470) 2.493 3.542 ( -2.658 0.000 3.734) 4.583 3.562 ( 2.317 0.000 3.295) 4.028 3.749 ( 2.990 0.000 2.473) 3.881 3.791 ( -4.209 0.000 -2.315) 4.804 3.837 ( 2.186 0.000 0.794) 2.326 3.919 ( 2.092 0.000 2.539) 3.290 4.027 ( -5.236 0.000 -1.722) 5.512 4.228 ( 2.643 0.000 -0.972) 2.816 4.275 ( -1.719 0.000 -1.640) 2.376 4.275 ( -1.775 0.000 1.126) 2.102 4.360 ( -0.952 0.000 -3.093) 3.236 4.369 ( -0.504 0.000 -0.529) 0.730 4.452 ( 0.799 0.000 -1.542) 1.737 4.459 ( 5.362 0.000 3.198) 6.243 4.650 ( -6.206 0.000 -1.181) 6.318 4.709 ( -0.174 0.000 2.092) 2.100 4.760 ( 2.375 0.000 1.096) 2.616 4.926 ( 1.853 0.000 -2.143) 2.833 5.006 ( -0.935 0.000 0.076) 0.939 5.027 ( -1.123 0.000 -0.097) 1.127 5.095 ( 0.070 0.000 0.783) 0.786 5.127 ( 0.513 0.000 -0.873) 1.013 5.164 ( -0.316 0.000 0.412) 0.520 5.240 ( 0.133 0.000 0.871) 0.881 ======================= Grid point 85 (30/105) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 2.271 0.000 7.130) 7.483 0.659 ( -2.861 0.000 -2.000) 3.490 0.678 ( 1.694 0.000 1.988) 2.612 0.801 ( -6.926 0.000 11.556) 13.473 1.034 ( -6.603 0.000 -3.248) 7.359 1.143 ( 5.339 0.000 3.380) 6.319 1.459 ( 0.168 0.000 -2.722) 2.727 1.511 ( 1.592 0.000 -4.620) 4.887 1.710 ( 2.003 0.000 0.944) 2.214 1.790 ( -5.395 0.000 7.032) 8.863 1.869 ( -0.099 0.000 -4.265) 4.266 1.933 ( -1.810 0.000 3.780) 4.191 2.007 ( 1.817 0.000 -0.174) 1.825 2.142 ( 0.214 0.000 -3.407) 3.413 2.195 ( -1.124 0.000 -2.617) 2.848 2.276 ( 4.211 0.000 -0.190) 4.215 2.808 ( 2.139 0.000 -0.942) 2.338 2.829 ( 0.663 0.000 -1.533) 1.670 3.073 ( 2.171 0.000 -1.042) 2.408 3.237 ( 1.345 0.000 0.170) 1.355 3.258 ( 1.488 0.000 -0.310) 1.519 3.326 ( 0.101 0.000 -5.304) 5.305 3.380 ( 0.044 0.000 0.688) 0.689 3.444 ( -8.031 0.000 0.677) 8.059 3.526 ( -1.922 0.000 3.834) 4.288 3.604 ( -0.492 0.000 0.814) 0.951 3.769 ( 4.085 0.000 2.430) 4.753 3.783 ( -3.622 0.000 -0.506) 3.657 3.860 ( 0.201 0.000 2.566) 2.574 3.938 ( -4.677 0.000 -2.818) 5.461 4.005 ( 4.054 0.000 3.628) 5.440 4.175 ( 0.445 0.000 -1.360) 1.431 4.255 ( -0.813 0.000 -3.859) 3.944 4.265 ( 1.653 0.000 -0.443) 1.711 4.378 ( 1.416 0.000 1.482) 2.050 4.400 ( 2.568 0.000 1.620) 3.036 4.459 ( 0.374 0.000 -1.071) 1.134 4.503 ( -6.637 0.000 -1.850) 6.890 4.605 ( 5.411 0.000 3.619) 6.510 4.711 ( -1.482 0.000 1.735) 2.282 4.767 ( -1.498 0.000 -1.211) 1.927 4.923 ( 0.737 0.000 -3.294) 3.376 4.994 ( -0.347 0.000 0.022) 0.348 5.011 ( -0.072 0.000 -0.415) 0.421 5.101 ( -0.370 0.000 0.772) 0.856 5.125 ( 0.377 0.000 -0.581) 0.693 5.189 ( 1.053 0.000 2.368) 2.592 5.242 ( -0.594 0.000 0.422) 0.729 ======================= Grid point 86 (31/105) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -5.378 0.000 -3.800) 6.585 0.564 ( -5.726 0.000 6.614) 8.749 0.757 ( -2.361 0.000 5.031) 5.557 0.850 ( -5.667 0.000 -3.144) 6.481 0.870 ( 7.690 0.000 10.933) 13.367 1.244 ( -0.252 0.000 4.043) 4.051 1.356 ( -8.731 0.000 -5.653) 10.401 1.473 ( 1.164 0.000 -4.618) 4.762 1.724 ( -1.936 0.000 2.228) 2.952 1.784 ( -1.527 0.000 5.757) 5.956 1.819 ( -0.744 0.000 -4.161) 4.227 1.947 ( -0.637 0.000 4.478) 4.523 2.046 ( 2.195 0.000 -0.829) 2.346 2.124 ( 0.928 0.000 -1.200) 1.517 2.145 ( -0.721 0.000 -3.835) 3.903 2.340 ( 2.766 0.000 -0.299) 2.782 2.831 ( 1.175 0.000 0.075) 1.177 2.858 ( 4.271 0.000 -5.424) 6.903 3.146 ( 3.853 0.000 3.730) 5.363 3.179 ( -2.781 0.000 -5.429) 6.100 3.259 ( -1.472 0.000 -1.415) 2.042 3.294 ( 0.708 0.000 -4.540) 4.595 3.344 ( -2.092 0.000 2.862) 3.545 3.456 ( 5.517 0.000 5.172) 7.562 3.559 ( 1.210 0.000 2.771) 3.023 3.608 ( -0.845 0.000 2.576) 2.711 3.718 ( -3.539 0.000 2.101) 4.116 3.761 ( -7.428 0.000 -2.933) 7.986 3.877 ( -0.980 0.000 -0.095) 0.984 3.878 ( 2.269 0.000 1.488) 2.713 4.096 ( 2.780 0.000 2.919) 4.031 4.189 ( 0.674 0.000 -2.774) 2.855 4.197 ( -2.395 0.000 -1.200) 2.679 4.287 ( -0.060 0.000 -2.065) 2.066 4.334 ( -2.830 0.000 -1.728) 3.315 4.413 ( 1.437 0.000 0.826) 1.658 4.482 ( 0.347 0.000 -0.940) 1.002 4.520 ( 5.556 0.000 2.449) 6.072 4.688 ( -4.060 0.000 -2.761) 4.910 4.703 ( -1.663 0.000 3.448) 3.828 4.718 ( 3.436 0.000 2.302) 4.136 4.894 ( -0.093 0.000 -3.459) 3.461 4.997 ( 0.785 0.000 0.009) 0.785 5.009 ( 0.117 0.000 -0.542) 0.554 5.096 ( -0.750 0.000 0.246) 0.789 5.127 ( -0.006 0.000 -0.179) 0.179 5.229 ( -0.861 0.000 -0.213) 0.887 5.236 ( 1.234 0.000 2.451) 2.744 ======================= Grid point 87 (32/105) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -8.532 0.000 -3.478) 9.214 0.478 ( -11.709 0.000 11.488) 16.404 0.735 ( -3.417 0.000 2.262) 4.098 0.861 ( 6.591 0.000 3.712) 7.564 0.998 ( -21.118 0.000 -8.499) 22.764 1.102 ( 5.052 0.000 7.742) 9.245 1.211 ( -5.200 0.000 1.928) 5.546 1.493 ( 4.478 0.000 -3.647) 5.775 1.723 ( -0.654 0.000 1.995) 2.100 1.760 ( -1.248 0.000 -3.655) 3.862 1.809 ( -1.497 0.000 4.252) 4.508 1.999 ( 0.697 0.000 5.429) 5.474 2.045 ( 0.174 0.000 -3.423) 3.427 2.096 ( -0.222 0.000 -4.381) 4.387 2.168 ( 2.671 0.000 2.050) 3.367 2.370 ( 1.243 0.000 -1.578) 2.009 2.834 ( 0.373 0.000 -7.454) 7.463 2.914 ( 6.281 0.000 4.325) 7.626 3.149 ( 4.766 0.000 -4.235) 6.376 3.217 ( -0.877 0.000 -0.976) 1.312 3.260 ( 3.679 0.000 3.332) 4.964 3.261 ( 0.139 0.000 -2.111) 2.116 3.367 ( 0.208 0.000 2.728) 2.736 3.518 ( -4.479 0.000 -2.661) 5.210 3.579 ( 0.338 0.000 4.675) 4.687 3.617 ( -1.263 0.000 2.902) 3.165 3.691 ( -2.575 0.000 3.764) 4.560 3.720 ( -1.859 0.000 0.774) 2.014 3.817 ( -7.063 0.000 -2.568) 7.515 3.841 ( 2.806 0.000 0.391) 2.833 4.138 ( -1.006 0.000 -3.501) 3.643 4.181 ( 0.164 0.000 2.730) 2.735 4.224 ( 4.268 0.000 5.081) 6.635 4.276 ( 2.383 0.000 0.436) 2.423 4.335 ( 2.680 0.000 -1.599) 3.121 4.416 ( -4.728 0.000 -3.211) 5.716 4.436 ( -0.660 0.000 -2.307) 2.399 4.518 ( -2.407 0.000 -2.295) 3.325 4.710 ( -1.873 0.000 3.324) 3.815 4.714 ( 5.649 0.000 1.891) 5.957 4.769 ( 0.151 0.000 0.509) 0.530 4.858 ( -0.215 0.000 -3.011) 3.019 5.008 ( 0.308 0.000 -0.074) 0.316 5.020 ( 1.259 0.000 0.239) 1.281 5.079 ( -1.030 0.000 -0.023) 1.031 5.119 ( -0.460 0.000 -0.212) 0.506 5.210 ( -0.574 0.000 -0.668) 0.881 5.276 ( 0.784 0.000 1.756) 1.923 ======================= Grid point 88 (33/105) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -9.159 0.000 3.275) 9.727 0.330 ( -18.376 0.000 -1.400) 18.430 0.505 ( -19.844 0.000 10.820) 22.602 0.702 ( -3.786 0.000 1.940) 4.254 1.065 ( 7.199 0.000 4.673) 8.583 1.116 ( -5.349 0.000 -0.724) 5.398 1.207 ( 0.092 0.000 4.895) 4.896 1.540 ( 4.438 0.000 -4.348) 6.213 1.714 ( -0.162 0.000 -2.520) 2.525 1.723 ( -0.548 0.000 -0.032) 0.549 1.813 ( -1.967 0.000 3.487) 4.003 2.002 ( -0.404 0.000 -3.951) 3.972 2.026 ( -1.043 0.000 -3.099) 3.270 2.088 ( 1.235 0.000 4.220) 4.396 2.228 ( 0.769 0.000 1.810) 1.966 2.357 ( 0.623 0.000 -3.517) 3.572 2.767 ( 0.817 0.000 -5.602) 5.661 3.085 ( 5.230 0.000 -3.141) 6.101 3.205 ( 0.043 0.000 -1.108) 1.108 3.242 ( 1.856 0.000 0.259) 1.874 3.286 ( 8.013 0.000 0.010) 8.013 3.330 ( 0.978 0.000 2.437) 2.626 3.424 ( 4.891 0.000 8.502) 9.809 3.436 ( -1.150 0.000 -3.800) 3.970 3.521 ( -3.418 0.000 -0.423) 3.444 3.553 ( -7.416 0.000 -3.294) 8.114 3.660 ( -4.672 0.000 3.040) 5.574 3.716 ( -1.986 0.000 4.382) 4.811 3.724 ( -2.144 0.000 5.036) 5.473 3.970 ( 7.819 0.000 2.601) 8.241 4.096 ( -1.169 0.000 -1.514) 1.912 4.161 ( -1.258 0.000 3.975) 4.169 4.264 ( -6.360 0.000 -3.835) 7.427 4.293 ( -0.918 0.000 -1.378) 1.656 4.357 ( 2.039 0.000 0.452) 2.089 4.417 ( 1.499 0.000 -1.056) 1.833 4.441 ( 9.140 0.000 5.125) 10.479 4.518 ( 2.068 0.000 -0.971) 2.285 4.659 ( -5.560 0.000 -1.557) 5.774 4.749 ( -2.068 0.000 1.380) 2.486 4.804 ( 2.135 0.000 -0.104) 2.138 4.839 ( 1.312 0.000 -1.514) 2.003 5.020 ( 0.675 0.000 0.386) 0.778 5.036 ( 0.123 0.000 0.406) 0.424 5.064 ( -0.854 0.000 0.522) 1.000 5.114 ( 0.124 0.000 -0.043) 0.131 5.199 ( 0.071 0.000 -0.538) 0.543 5.292 ( -0.328 0.000 -1.500) 1.535 ======================= Grid point 89 (34/105) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 9.014 8.256 10.997) 16.442 0.425 ( -2.039 9.154 13.206) 16.197 0.701 ( 0.794 20.278 11.093) 23.127 0.796 ( -1.133 12.077 -1.116) 12.181 0.981 ( -5.923 2.730 -6.625) 9.297 1.184 ( -0.093 0.687 4.060) 4.119 1.243 ( -2.352 2.201 3.157) 4.510 1.432 ( 0.736 -6.810 -6.148) 9.204 1.748 ( -0.138 -2.627 1.450) 3.004 1.797 ( 1.234 5.696 0.679) 5.868 1.840 ( -0.994 7.643 -0.586) 7.730 1.935 ( -0.760 -3.038 -0.940) 3.269 2.041 ( 1.694 3.142 -1.442) 3.849 2.185 ( -1.452 5.773 0.137) 5.955 2.280 ( 0.447 4.629 -1.241) 4.813 2.379 ( 1.481 2.888 -2.996) 4.416 2.802 ( 4.875 0.715 -0.367) 4.941 2.922 ( -5.557 -0.672 -2.050) 5.961 3.141 ( -1.584 -2.417 -1.716) 3.361 3.206 ( -0.664 -2.168 -1.525) 2.733 3.321 ( 1.992 -2.213 0.953) 3.126 3.345 ( 1.346 -2.841 -4.170) 5.222 3.416 ( 1.837 -2.657 2.220) 3.919 3.495 ( 0.528 -1.438 2.113) 2.610 3.513 ( 1.047 0.812 4.551) 4.740 3.550 ( 2.827 1.506 2.397) 4.001 3.664 ( -1.744 -1.650 8.106) 8.454 3.689 ( -3.980 2.926 -0.209) 4.945 3.711 ( -5.201 2.359 0.655) 5.748 4.003 ( -1.618 -1.514 0.812) 2.360 4.057 ( -4.537 -0.898 0.142) 4.627 4.179 ( 9.045 0.310 0.812) 9.086 4.223 ( 0.872 5.415 1.875) 5.797 4.306 ( -0.220 1.460 -0.939) 1.750 4.328 ( 0.365 -1.774 -0.834) 1.993 4.433 ( -0.770 0.601 -3.581) 3.712 4.454 ( -2.195 1.736 -0.453) 2.835 4.555 ( -3.537 1.450 -2.054) 4.340 4.655 ( 5.596 0.209 3.907) 6.828 4.823 ( 1.011 -0.241 -1.907) 2.172 4.828 ( -0.957 0.562 -0.686) 1.304 4.873 ( -1.161 0.807 -2.097) 2.529 4.980 ( 0.552 -4.348 0.829) 4.461 5.011 ( 0.264 -2.770 -0.446) 2.818 5.101 ( -0.166 -1.214 -0.161) 1.236 5.124 ( -3.097 1.033 -2.807) 4.305 5.171 ( 1.175 -2.579 -0.021) 2.834 5.184 ( -0.476 -1.751 -0.314) 1.841 ======================= Grid point 90 (35/105) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -1.117 3.510 14.443) 14.905 0.651 ( 5.129 11.677 5.352) 13.831 0.749 ( -0.112 6.192 -6.123) 8.709 0.785 ( -1.755 9.748 -3.957) 10.666 0.970 ( 10.550 7.831 10.283) 16.685 1.176 ( -5.185 1.049 2.743) 5.958 1.219 ( -1.826 1.441 3.305) 4.042 1.387 ( 1.785 -4.733 -6.187) 7.991 1.766 ( -0.631 -3.483 3.375) 4.891 1.803 ( -1.166 7.985 -1.797) 8.267 1.835 ( 1.860 5.756 0.469) 6.068 1.905 ( -0.932 -0.965 -1.522) 2.029 2.083 ( 3.114 3.694 -0.554) 4.863 2.145 ( -1.339 5.125 -2.020) 5.669 2.283 ( 0.272 3.790 0.296) 3.811 2.369 ( 0.730 3.118 -3.347) 4.632 2.789 ( -2.995 -0.453 -3.863) 4.909 2.937 ( 5.183 -0.454 2.788) 5.903 3.102 ( -0.574 -2.164 -1.753) 2.843 3.190 ( 0.836 -1.489 -2.450) 2.987 3.306 ( -2.206 -2.441 -1.246) 3.518 3.356 ( 0.408 -0.801 -0.081) 0.903 3.444 ( -2.120 0.566 -1.214) 2.508 3.450 ( -1.696 -1.217 3.017) 3.669 3.511 ( -4.358 1.021 -2.437) 5.097 3.612 ( -1.561 2.223 1.599) 3.153 3.652 ( 5.677 -0.399 5.274) 7.759 3.706 ( -0.360 0.758 4.014) 4.101 3.824 ( 7.898 0.016 6.143) 10.006 3.873 ( -5.734 -1.995 -1.679) 6.299 4.099 ( 0.413 1.217 0.004) 1.285 4.222 ( -5.436 -0.583 -1.765) 5.745 4.258 ( 1.068 2.935 -0.358) 3.144 4.288 ( 1.083 0.815 -1.506) 2.026 4.343 ( 1.237 -1.720 -1.242) 2.456 4.383 ( 3.906 2.380 1.709) 4.883 4.469 ( -1.771 0.564 -1.679) 2.505 4.530 ( 3.967 2.680 2.152) 5.249 4.708 ( -3.772 -0.591 -1.303) 4.034 4.752 ( -3.851 1.328 -1.241) 4.258 4.792 ( -0.329 0.996 -0.075) 1.052 4.882 ( 1.796 0.806 -0.110) 1.972 4.989 ( -0.324 -4.334 0.172) 4.349 5.011 ( 0.096 -2.119 -0.411) 2.160 5.075 ( -0.312 -0.721 0.760) 1.093 5.106 ( 0.485 -0.635 0.529) 0.959 5.175 ( 0.031 -2.246 -0.806) 2.387 5.193 ( 0.632 -2.452 -0.744) 2.639 ======================= Grid point 91 (36/105) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.051 1.990 10.398) 10.587 0.708 ( 9.618 6.052 -4.000) 12.047 0.765 ( -0.135 11.094 -0.775) 11.121 0.801 ( 0.836 9.570 4.992) 10.826 0.993 ( -11.237 4.979 1.137) 12.343 1.226 ( -1.171 0.961 2.183) 2.657 1.253 ( 6.979 -3.118 1.737) 7.838 1.403 ( 4.993 -1.159 -2.830) 5.856 1.762 ( -2.384 0.847 2.087) 3.280 1.795 ( 0.293 3.814 1.774) 4.216 1.864 ( 0.590 0.456 -0.814) 1.104 1.895 ( 1.555 2.951 0.089) 3.337 2.098 ( -0.370 3.185 -1.767) 3.661 2.143 ( 2.499 7.040 -0.419) 7.483 2.284 ( -0.874 3.188 0.047) 3.306 2.342 ( -0.019 4.581 -3.180) 5.576 2.754 ( 2.553 -0.262 -1.781) 3.124 2.983 ( -3.211 -3.948 -0.545) 5.118 3.094 ( 1.224 1.037 -1.492) 2.191 3.186 ( 1.844 -0.868 -3.333) 3.907 3.246 ( -2.665 -2.448 0.238) 3.627 3.338 ( -1.665 1.010 1.868) 2.698 3.436 ( 3.591 -1.897 -2.270) 4.653 3.439 ( -2.386 0.820 -0.258) 2.537 3.486 ( -0.191 -0.949 5.698) 5.780 3.579 ( -3.896 1.588 -0.739) 4.272 3.697 ( 0.093 0.336 4.186) 4.201 3.784 ( 2.754 1.522 2.590) 4.075 3.844 ( -0.235 -3.102 1.796) 3.592 3.944 ( -0.944 2.875 -0.695) 3.104 4.112 ( 2.091 3.330 0.417) 3.954 4.140 ( 0.799 0.599 1.179) 1.545 4.255 ( 0.051 -0.411 -0.226) 0.471 4.308 ( 1.480 -1.746 -1.667) 2.831 4.360 ( 1.979 1.484 -0.904) 2.634 4.416 ( -1.384 1.539 -1.918) 2.823 4.437 ( -0.994 0.290 -0.038) 1.036 4.557 ( -5.425 0.921 -3.300) 6.416 4.656 ( 3.035 -0.165 3.119) 4.355 4.713 ( 0.808 2.238 0.294) 2.398 4.765 ( -3.281 0.926 -0.528) 3.449 4.910 ( 1.707 0.037 -0.412) 1.757 4.974 ( -1.441 -4.108 0.319) 4.365 5.022 ( 1.068 -1.974 0.311) 2.266 5.083 ( -0.098 -0.892 0.386) 0.977 5.124 ( 0.510 -0.192 0.676) 0.869 5.155 ( -0.856 -2.572 -1.742) 3.222 5.197 ( 0.309 -2.775 0.382) 2.818 ======================= Grid point 92 (37/105) ======================= q-point: ( 0.38 0.12 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -11.883 5.413 1.009) 13.096 0.697 ( 0.510 4.370 4.263) 6.127 0.819 ( 0.671 11.677 -0.473) 11.706 0.861 ( -1.504 5.147 5.223) 7.486 0.960 ( 9.077 5.951 3.830) 11.510 1.194 ( -3.898 1.665 0.378) 4.255 1.349 ( 4.250 -4.345 -1.456) 6.250 1.470 ( 4.367 -1.368 -3.294) 5.638 1.747 ( -2.414 -0.694 3.671) 4.448 1.819 ( 0.208 5.079 2.147) 5.518 1.865 ( -0.222 -2.185 0.592) 2.274 1.934 ( 2.084 3.569 -0.821) 4.214 2.083 ( -0.240 4.807 -0.135) 4.815 2.188 ( 2.767 4.927 0.065) 5.651 2.239 ( -1.298 2.080 -3.591) 4.348 2.316 ( -0.562 6.038 -1.647) 6.284 2.806 ( 2.779 -0.155 -0.801) 2.896 2.872 ( -4.450 -0.049 -1.954) 4.860 3.085 ( 0.080 1.102 -2.651) 2.872 3.192 ( 1.435 -1.971 -1.939) 3.115 3.224 ( 0.949 -1.991 -1.749) 2.815 3.342 ( 0.453 -0.895 -0.863) 1.323 3.398 ( -1.727 2.271 1.471) 3.210 3.487 ( 1.181 -2.147 1.087) 2.681 3.515 ( -2.099 -0.515 4.265) 4.782 3.582 ( 1.522 0.530 5.388) 5.624 3.745 ( -2.776 -3.228 -1.354) 4.468 3.774 ( 0.857 1.698 1.150) 2.223 3.859 ( -3.031 1.333 0.230) 3.319 3.941 ( 6.432 2.509 2.780) 7.443 4.065 ( -6.161 3.195 -2.175) 7.273 4.221 ( 2.657 -1.768 -0.417) 3.219 4.253 ( -0.392 -0.937 0.686) 1.226 4.304 ( -3.456 1.579 -2.332) 4.458 4.346 ( 2.067 0.922 0.257) 2.278 4.389 ( 0.087 0.966 -1.470) 1.761 4.466 ( 1.260 1.705 0.875) 2.294 4.480 ( 2.961 2.098 -0.664) 3.689 4.667 ( -5.556 0.875 -1.463) 5.811 4.706 ( 0.409 0.237 1.888) 1.947 4.764 ( 1.818 0.288 0.556) 1.923 4.933 ( 1.153 0.290 -1.310) 1.769 4.950 ( -1.215 -4.002 0.668) 4.235 5.042 ( 0.574 -0.415 -0.175) 0.729 5.079 ( -0.360 -1.278 0.270) 1.355 5.119 ( -0.464 -2.019 -1.815) 2.754 5.140 ( 0.175 -1.304 1.376) 1.904 5.208 ( 0.010 -3.137 0.809) 3.239 ======================= Grid point 93 (38/105) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.735 6.219 6.099) 8.741 0.732 ( -0.403 5.269 3.512) 6.345 0.811 ( -1.405 11.187 -0.119) 11.275 0.857 ( -3.577 7.222 6.120) 10.120 1.072 ( -7.985 2.910 -2.739) 8.930 1.149 ( 5.987 2.334 3.155) 7.159 1.378 ( 0.176 -4.304 -1.834) 4.682 1.489 ( 1.527 -2.503 -4.801) 5.626 1.742 ( -2.646 -3.038 5.252) 6.619 1.834 ( -0.820 5.113 1.239) 5.325 1.862 ( 0.004 -0.580 -0.470) 0.747 1.940 ( -0.659 3.523 -0.031) 3.584 2.088 ( 0.564 5.568 0.926) 5.673 2.178 ( -0.476 4.179 -2.884) 5.100 2.269 ( 0.579 2.566 -0.002) 2.630 2.286 ( 3.326 5.193 -2.396) 6.616 2.826 ( 1.126 1.870 -0.789) 2.321 2.835 ( 1.402 0.664 -1.040) 1.868 3.076 ( 1.935 0.327 -1.481) 2.459 3.205 ( 1.193 -2.839 -0.474) 3.116 3.249 ( 2.616 -0.825 -0.953) 2.904 3.329 ( 0.492 -0.675 -4.189) 4.271 3.374 ( -1.504 0.070 0.341) 1.544 3.443 ( -8.574 -0.374 -0.314) 8.588 3.511 ( -0.032 -0.491 3.988) 4.018 3.611 ( -3.386 -0.388 0.108) 3.410 3.723 ( 5.287 -2.940 3.107) 6.800 3.796 ( -2.878 1.351 0.454) 3.212 3.872 ( 0.740 1.295 3.226) 3.555 3.947 ( -4.329 1.707 -3.664) 5.923 4.063 ( 3.981 3.984 4.350) 7.116 4.204 ( -0.113 0.408 -1.754) 1.804 4.231 ( -0.210 -1.176 -1.858) 2.209 4.303 ( 2.267 4.492 1.215) 5.176 4.370 ( 0.282 -0.595 0.403) 0.772 4.410 ( 0.473 0.984 -0.241) 1.118 4.446 ( 0.827 0.183 -0.929) 1.257 4.534 ( -5.582 1.276 -2.115) 6.104 4.612 ( 5.626 0.734 2.356) 6.143 4.710 ( -1.785 0.003 0.530) 1.862 4.777 ( -0.208 0.715 0.076) 0.749 4.922 ( 0.007 -0.534 -2.247) 2.310 4.945 ( -0.340 -2.729 0.623) 2.820 5.038 ( -0.058 0.870 -1.133) 1.430 5.079 ( -0.301 -1.984 0.593) 2.093 5.110 ( 0.633 -2.177 -0.578) 2.340 5.165 ( 0.681 -1.921 2.100) 2.927 5.209 ( -0.514 -3.217 0.411) 3.284 ======================= Grid point 94 (39/105) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -6.468 3.660 6.807) 10.079 0.716 ( -2.834 12.210 -3.171) 12.930 0.851 ( -1.809 7.453 2.026) 7.933 0.902 ( -3.050 5.093 3.627) 6.957 0.907 ( 5.260 5.873 5.394) 9.553 1.230 ( -1.126 -0.726 3.017) 3.301 1.314 ( -5.671 -2.059 -3.392) 6.921 1.429 ( -0.690 -2.996 -5.405) 6.218 1.753 ( -2.159 -3.600 5.579) 6.982 1.829 ( 0.239 2.823 -0.517) 2.880 1.848 ( -0.574 4.786 -1.366) 5.010 1.933 ( -1.116 1.504 2.807) 3.374 2.117 ( 1.285 6.016 0.646) 6.186 2.151 ( -0.079 4.454 -2.400) 5.060 2.233 ( 0.098 5.524 -2.107) 5.913 2.362 ( 3.406 2.926 -0.753) 4.553 2.817 ( 0.664 -0.960 -1.381) 1.808 2.877 ( 2.270 1.497 -2.942) 4.006 3.131 ( 2.382 -1.086 -0.719) 2.715 3.170 ( -0.816 -0.890 -0.988) 1.560 3.261 ( -0.058 -0.822 -3.440) 3.537 3.285 ( -0.657 -0.165 -3.616) 3.679 3.333 ( -1.788 -1.242 2.604) 3.394 3.439 ( 6.046 -1.506 4.743) 7.831 3.555 ( -1.033 -0.318 2.018) 2.289 3.581 ( -0.022 -1.562 3.356) 3.701 3.733 ( -4.606 2.307 1.695) 5.423 3.790 ( -4.786 1.329 -2.871) 5.737 3.818 ( -0.764 -2.740 1.045) 3.030 3.935 ( 2.459 3.538 1.528) 4.571 4.138 ( 0.038 3.730 0.958) 3.851 4.195 ( -2.553 0.229 0.804) 2.686 4.224 ( 2.344 1.812 -0.538) 3.011 4.302 ( -1.687 0.888 -3.940) 4.377 4.372 ( -0.511 4.214 -0.356) 4.259 4.404 ( 1.575 -0.264 0.396) 1.646 4.442 ( -0.150 -2.106 -0.995) 2.333 4.540 ( 5.301 0.507 2.486) 5.877 4.640 ( -4.116 -1.596 -2.234) 4.948 4.726 ( 3.672 0.569 1.556) 4.028 4.770 ( -1.419 3.113 1.889) 3.908 4.890 ( -0.259 -0.466 -3.137) 3.182 4.959 ( 0.688 -2.575 1.296) 2.963 5.022 ( -0.329 -0.106 -1.109) 1.161 5.074 ( -0.542 -1.954 -0.037) 2.028 5.115 ( 0.078 -1.557 -0.444) 1.621 5.194 ( -0.311 -2.775 0.813) 2.908 5.208 ( 0.653 -3.089 1.311) 3.419 ======================= Grid point 95 (40/105) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -10.527 4.439 9.730) 15.007 0.621 ( -5.136 15.971 -1.774) 16.870 0.850 ( -2.391 10.493 1.632) 10.885 0.891 ( 4.996 2.837 2.510) 6.269 1.026 ( -16.844 4.385 -5.621) 18.291 1.122 ( 5.016 2.316 6.267) 8.354 1.198 ( -4.512 -0.573 1.716) 4.861 1.425 ( 3.103 -4.293 -2.703) 5.947 1.762 ( -2.024 -4.000 3.838) 5.901 1.804 ( -0.437 2.941 -3.230) 4.390 1.847 ( 0.023 7.824 1.219) 7.919 1.947 ( -0.444 -2.077 2.039) 2.945 2.114 ( -1.228 3.900 -2.524) 4.805 2.147 ( 1.805 7.253 0.150) 7.475 2.250 ( 1.865 5.709 0.473) 6.025 2.391 ( 1.465 2.600 -2.057) 3.625 2.823 ( 0.899 -1.158 -5.840) 6.021 2.876 ( 1.921 -2.993 2.810) 4.533 3.133 ( 3.964 -0.870 -2.710) 4.881 3.222 ( 0.743 -1.157 -3.495) 3.755 3.232 ( -0.158 -0.798 2.014) 2.172 3.273 ( 4.555 0.454 -2.131) 5.049 3.355 ( -0.903 -1.017 3.598) 3.846 3.510 ( -2.534 -0.425 -0.561) 2.630 3.570 ( -0.486 -0.394 3.168) 3.229 3.632 ( -0.387 0.971 3.184) 3.351 3.650 ( -2.286 -2.438 2.695) 4.293 3.740 ( -4.777 0.800 0.503) 4.870 3.821 ( 3.943 -0.129 2.497) 4.669 3.867 ( -7.442 3.733 -2.906) 8.818 4.154 ( 0.067 1.602 0.469) 1.670 4.205 ( 1.434 -0.034 1.023) 1.762 4.243 ( 0.841 2.627 2.154) 3.500 4.284 ( 1.252 1.044 -1.465) 2.192 4.349 ( 0.906 1.938 -0.815) 2.289 4.410 ( -2.958 0.295 -1.625) 3.388 4.449 ( 1.921 0.660 -1.697) 2.646 4.511 ( -3.299 0.787 -2.964) 4.504 4.686 ( 5.050 -1.612 2.633) 5.919 4.754 ( -0.579 1.256 0.313) 1.418 4.786 ( 0.548 1.368 1.026) 1.796 4.864 ( 0.424 0.392 -1.908) 1.994 4.986 ( 0.609 -2.736 0.983) 2.970 5.014 ( 0.404 -0.561 -0.399) 0.798 5.061 ( -0.454 -1.627 0.007) 1.689 5.104 ( -0.494 -1.524 -0.442) 1.662 5.185 ( -0.418 -2.223 -0.344) 2.288 5.239 ( 0.562 -3.757 1.390) 4.045 ======================= Grid point 96 (41/105) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -13.900 8.610 -0.834) 16.372 0.425 ( -10.666 8.447 7.711) 15.639 0.685 ( -8.440 20.141 2.820) 22.019 0.830 ( -2.708 11.819 1.432) 12.210 1.080 ( 6.601 1.652 5.014) 8.453 1.113 ( -4.140 0.413 -1.617) 4.464 1.225 ( 0.174 2.024 4.724) 5.142 1.452 ( 2.469 -5.976 -3.558) 7.380 1.752 ( -1.548 -3.158 1.156) 3.702 1.779 ( 0.435 4.359 -0.837) 4.460 1.854 ( -0.390 7.968 0.460) 7.991 1.949 ( -0.502 -4.042 0.304) 4.084 2.061 ( -1.192 3.505 -2.702) 4.583 2.184 ( 0.829 7.792 1.253) 7.935 2.280 ( 0.597 4.756 0.167) 4.796 2.386 ( 1.041 2.777 -3.212) 4.371 2.767 ( 0.920 0.028 -4.523) 4.616 2.976 ( 2.234 -7.204 2.309) 7.888 3.172 ( 0.886 -1.759 -1.765) 2.645 3.241 ( -0.003 -0.728 -0.226) 0.763 3.253 ( 4.364 -2.192 -0.646) 4.926 3.333 ( 2.781 -3.069 0.102) 4.143 3.363 ( -0.220 0.733 1.742) 1.902 3.475 ( -1.592 1.407 0.125) 2.128 3.502 ( -2.811 -0.877 -0.235) 2.953 3.564 ( -5.197 0.446 -1.183) 5.349 3.665 ( -5.919 0.204 3.540) 6.900 3.726 ( -1.570 1.562 4.412) 4.937 3.743 ( -0.322 3.608 4.615) 5.867 3.971 ( 8.295 -0.871 3.037) 8.876 4.075 ( -7.970 -1.471 -0.626) 8.129 4.181 ( -0.557 5.260 -2.413) 5.814 4.265 ( -4.900 0.662 -2.776) 5.671 4.296 ( -0.703 -0.219 -0.551) 0.920 4.341 ( 0.774 -0.693 0.058) 1.040 4.417 ( 4.610 0.893 2.249) 5.207 4.435 ( 3.059 1.209 -1.492) 3.612 4.536 ( 3.034 1.552 0.876) 3.519 4.673 ( -5.130 0.632 -1.940) 5.521 4.801 ( 2.169 0.214 -0.671) 2.280 4.807 ( 3.198 -0.220 -0.162) 3.210 4.871 ( 1.493 1.148 -0.033) 1.884 4.986 ( -1.255 -3.539 0.213) 3.761 5.014 ( 0.087 -2.699 -0.612) 2.769 5.085 ( 2.528 0.740 1.057) 2.838 5.102 ( 0.490 -1.011 0.400) 1.193 5.177 ( 0.033 -2.034 -0.500) 2.095 5.243 ( -1.301 -4.360 -0.520) 4.579 ======================= Grid point 97 (42/105) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -1.238 11.923 9.418) 15.244 0.625 ( 1.473 11.539 9.092) 14.765 1.014 ( -2.121 6.715 -4.219) 8.209 1.068 ( 0.128 11.109 -1.916) 11.274 1.095 ( -1.751 7.038 0.156) 7.254 1.290 ( 1.628 11.529 2.462) 11.901 1.313 ( -1.237 4.318 -0.593) 4.531 1.351 ( -1.457 4.220 0.208) 4.469 1.622 ( -0.739 -8.418 3.050) 8.984 1.799 ( 0.404 -8.104 0.440) 8.126 1.950 ( 0.241 6.333 0.949) 6.409 1.999 ( -0.821 6.917 -0.502) 6.984 2.133 ( 0.662 5.943 0.266) 5.986 2.324 ( -0.438 5.488 -0.767) 5.559 2.376 ( 0.099 5.518 -4.293) 6.992 2.457 ( 1.606 4.711 -2.897) 5.759 2.821 ( 3.725 1.077 1.841) 4.293 2.906 ( -2.148 -0.851 -0.670) 2.406 3.103 ( -2.006 -1.426 -2.262) 3.342 3.143 ( -0.286 -3.607 -2.863) 4.614 3.273 ( 0.184 -2.988 1.805) 3.495 3.286 ( 1.097 -1.784 -0.863) 2.265 3.397 ( 2.590 0.108 0.867) 2.734 3.476 ( 2.253 -0.856 1.819) 3.020 3.524 ( 0.667 0.754 3.512) 3.653 3.590 ( -0.697 1.176 2.819) 3.133 3.661 ( -1.933 1.164 3.465) 4.135 3.749 ( -3.558 2.973 2.086) 5.084 3.823 ( -2.951 7.566 -2.708) 8.561 3.966 ( -5.010 -2.239 -2.878) 6.197 4.051 ( 3.590 0.557 1.814) 4.060 4.203 ( 2.881 0.844 -0.040) 3.002 4.287 ( 0.419 -0.201 -0.056) 0.468 4.323 ( -0.897 2.751 -0.572) 2.950 4.357 ( 1.852 4.374 -0.493) 4.775 4.445 ( -1.776 1.529 -1.906) 3.021 4.511 ( 2.458 1.189 -0.201) 2.738 4.589 ( -3.946 2.537 -1.977) 5.091 4.652 ( 5.106 -0.473 2.865) 5.874 4.798 ( 0.105 -2.098 0.346) 2.129 4.821 ( -3.549 -1.957 -2.102) 4.566 4.857 ( 1.205 -0.850 -0.725) 1.644 4.885 ( 0.023 -4.644 0.905) 4.732 4.939 ( 1.576 -4.171 -0.561) 4.494 5.065 ( 0.214 -2.406 0.108) 2.418 5.087 ( -1.867 -3.741 -0.036) 4.181 5.104 ( 0.110 -3.980 -0.287) 3.992 5.133 ( -0.065 -2.995 -0.509) 3.039 ======================= Grid point 98 (43/105) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -2.309 9.025 11.745) 14.991 0.833 ( 7.779 6.991 5.888) 12.003 0.879 ( -2.177 8.364 -7.598) 11.507 1.046 ( -0.473 11.825 -1.897) 11.986 1.122 ( 2.126 2.939 3.806) 5.258 1.249 ( -4.436 4.024 -2.242) 6.395 1.319 ( 0.753 5.478 -0.134) 5.531 1.359 ( 0.775 11.314 2.904) 11.706 1.644 ( -0.708 -7.714 3.559) 8.525 1.799 ( -0.322 -7.625 -0.085) 7.633 1.964 ( 0.012 6.438 0.381) 6.449 1.974 ( -0.658 6.299 -0.587) 6.361 2.181 ( 2.417 6.205 0.913) 6.721 2.306 ( -0.370 8.298 -1.525) 8.445 2.349 ( 1.686 3.320 -2.720) 4.611 2.456 ( 1.762 5.023 -3.298) 6.262 2.797 ( -4.847 1.051 -1.556) 5.198 2.905 ( 0.676 -2.596 2.227) 3.487 3.075 ( 1.344 -0.532 -1.207) 1.883 3.143 ( 2.311 -2.743 -2.786) 4.541 3.261 ( -0.507 -1.917 -0.126) 1.987 3.334 ( 2.354 -1.372 -0.352) 2.747 3.443 ( -0.921 0.392 4.109) 4.229 3.460 ( -3.118 0.676 -2.632) 4.136 3.526 ( -3.527 0.743 -0.654) 3.663 3.631 ( 0.955 -0.524 4.277) 4.414 3.679 ( -2.204 2.707 3.989) 5.301 3.712 ( 2.271 1.482 3.049) 4.080 3.827 ( -3.413 -1.843 -1.681) 4.227 3.892 ( 6.820 4.990 1.932) 8.669 4.129 ( -1.839 -2.308 -1.034) 3.127 4.162 ( 0.793 0.189 -1.080) 1.354 4.299 ( 0.633 0.271 -1.088) 1.288 4.338 ( 0.801 2.701 -1.251) 3.082 4.364 ( -0.896 4.857 -1.092) 5.058 4.460 ( 4.056 3.864 1.000) 5.690 4.499 ( -2.854 2.462 -1.680) 4.126 4.577 ( 3.537 1.408 1.594) 4.128 4.683 ( -5.424 -1.592 -2.189) 6.062 4.748 ( -0.507 -1.526 0.664) 1.740 4.806 ( 0.984 0.444 0.369) 1.141 4.876 ( 0.344 -1.127 -0.068) 1.181 4.887 ( 0.066 -5.254 -0.254) 5.260 4.946 ( 0.436 -4.394 -1.463) 4.652 5.044 ( -1.091 -2.363 0.386) 2.631 5.078 ( 0.223 -2.162 1.077) 2.425 5.115 ( 0.495 -4.937 -0.001) 4.962 5.126 ( -0.008 -2.669 -0.812) 2.790 ======================= Grid point 99 (44/105) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.831 6.898 10.043) 12.212 0.844 ( 5.465 7.859 -2.667) 9.937 0.949 ( -1.923 6.768 0.503) 7.054 1.022 ( -0.888 6.975 0.981) 7.099 1.128 ( -3.506 9.956 -2.716) 10.899 1.227 ( 4.376 0.192 2.708) 5.149 1.337 ( 0.336 8.288 1.439) 8.419 1.405 ( 2.142 5.194 0.106) 5.620 1.656 ( -1.864 -6.750 3.556) 7.854 1.794 ( -0.097 -6.195 0.074) 6.196 1.951 ( 0.136 6.962 -0.916) 7.023 1.979 ( 0.101 3.648 0.677) 3.712 2.200 ( 0.133 6.193 -1.026) 6.279 2.291 ( -0.350 7.348 -0.727) 7.392 2.370 ( 1.278 5.061 -0.382) 5.234 2.451 ( 0.664 5.442 -3.436) 6.470 2.751 ( 1.718 0.059 -0.441) 1.774 2.895 ( -1.066 -4.267 -1.662) 4.702 3.106 ( 1.838 -0.042 -0.633) 1.944 3.157 ( 2.052 -1.674 -2.964) 3.975 3.227 ( -2.996 0.283 -0.450) 3.043 3.350 ( -1.585 0.402 1.992) 2.577 3.403 ( 1.920 -1.479 -3.084) 3.922 3.456 ( -0.331 -0.303 2.884) 2.918 3.491 ( -2.253 2.544 3.963) 5.221 3.613 ( -4.793 1.957 0.806) 5.239 3.711 ( 1.204 0.695 1.369) 1.951 3.779 ( -0.669 -1.216 2.200) 2.601 3.804 ( 4.050 -0.737 3.245) 5.242 4.008 ( -1.345 2.981 -1.690) 3.681 4.124 ( 6.015 -2.147 1.748) 6.622 4.198 ( 2.909 3.057 1.401) 4.446 4.256 ( -3.570 0.789 -2.322) 4.331 4.296 ( -3.442 2.449 -2.501) 4.909 4.369 ( 3.406 1.084 -0.832) 3.670 4.479 ( -2.448 1.975 -1.318) 3.410 4.480 ( 0.104 3.824 -1.330) 4.050 4.585 ( -0.924 2.178 -0.950) 2.549 4.652 ( 1.299 -0.267 2.486) 2.818 4.740 ( 1.105 0.191 -0.490) 1.224 4.788 ( -3.469 1.308 -0.814) 3.796 4.874 ( -0.331 -4.369 0.064) 4.382 4.897 ( 1.326 -1.982 -0.030) 2.384 4.957 ( 1.906 -4.428 -0.040) 4.820 5.045 ( -0.170 -3.037 0.068) 3.042 5.083 ( -0.565 -2.972 0.708) 3.107 5.117 ( -0.009 -3.272 -0.483) 3.307 5.124 ( 0.094 -3.073 0.225) 3.082 ======================= Grid point 100 (45/105) ======================= q-point: ( 0.38 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -5.042 6.270 5.022) 9.485 0.825 ( -4.676 8.012 2.387) 9.579 0.964 ( 4.740 5.263 0.947) 7.145 1.053 ( 1.745 1.881 2.351) 3.480 1.097 ( 1.139 13.948 -2.179) 14.163 1.308 ( 2.789 0.575 0.145) 2.852 1.346 ( -1.406 13.321 1.765) 13.511 1.436 ( 2.408 -1.486 -2.460) 3.749 1.647 ( -2.665 -6.477 3.488) 7.824 1.798 ( -0.137 -4.916 0.527) 4.946 1.951 ( -0.142 4.863 0.298) 4.874 1.991 ( 0.959 2.409 0.490) 2.638 2.196 ( 0.395 6.794 -0.081) 6.806 2.275 ( -0.184 4.742 -1.005) 4.851 2.344 ( -1.951 5.814 -2.436) 6.598 2.436 ( 0.474 5.068 -1.582) 5.331 2.804 ( 3.064 0.019 -0.524) 3.109 2.876 ( 1.083 0.199 -1.239) 1.658 3.110 ( 0.002 0.699 -2.459) 2.556 3.146 ( -0.013 -0.943 -2.245) 2.435 3.201 ( 1.251 -0.990 -1.008) 1.887 3.323 ( -0.361 -0.633 -2.234) 2.350 3.447 ( 0.894 1.172 -0.572) 1.581 3.454 ( -2.271 0.252 3.689) 4.339 3.508 ( -0.450 -0.375 4.817) 4.853 3.588 ( -0.645 0.298 4.581) 4.636 3.688 ( -3.547 -1.725 -2.694) 4.776 3.801 ( 2.038 0.223 3.544) 4.094 3.887 ( -1.430 2.079 -0.909) 2.682 4.001 ( 6.520 3.030 3.007) 7.793 4.114 ( -7.270 0.881 -2.175) 7.639 4.194 ( -3.006 -0.766 -2.231) 3.821 4.267 ( 0.605 2.811 1.490) 3.239 4.292 ( 6.639 -0.493 0.888) 6.717 4.401 ( -1.457 1.726 -1.672) 2.811 4.413 ( 1.139 2.180 0.114) 2.463 4.515 ( 2.751 2.728 0.363) 3.891 4.555 ( -1.057 5.450 -2.146) 5.952 4.663 ( -3.916 -1.072 -0.505) 4.091 4.713 ( 0.302 -0.255 0.206) 0.446 4.768 ( 0.435 -0.011 -0.403) 0.593 4.865 ( -0.729 -3.905 0.993) 4.095 4.932 ( 1.923 -0.588 -0.035) 2.011 4.997 ( 1.367 -3.597 0.198) 3.853 5.028 ( -0.583 -4.007 -0.417) 4.071 5.076 ( -0.459 -1.446 -0.401) 1.570 5.114 ( -0.106 -1.996 0.083) 2.001 5.128 ( -0.108 -4.641 0.572) 4.678 ======================= Grid point 101 (46/105) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.960 8.374 4.105) 9.375 0.842 ( -1.035 6.440 6.690) 9.343 0.980 ( -2.195 6.001 -0.274) 6.396 1.077 ( -1.390 2.736 -0.703) 3.148 1.113 ( 1.024 10.803 -0.191) 10.854 1.315 ( -1.790 7.824 -0.455) 8.038 1.343 ( 0.658 5.394 -0.087) 5.435 1.440 ( 0.809 -1.444 -3.350) 3.737 1.639 ( -1.829 -6.247 3.945) 7.612 1.781 ( -1.346 -4.851 -0.739) 5.089 1.963 ( 0.329 3.999 1.696) 4.356 2.016 ( 0.040 3.418 1.601) 3.774 2.204 ( 0.425 6.304 0.597) 6.346 2.260 ( 0.132 4.232 -1.975) 4.672 2.348 ( 3.153 4.904 0.939) 5.906 2.412 ( 0.196 5.454 -3.573) 6.523 2.844 ( -0.325 0.583 -0.459) 0.810 2.891 ( 2.289 3.821 0.182) 4.457 3.087 ( 1.167 0.653 -2.181) 2.558 3.149 ( 1.950 -2.148 -1.029) 3.078 3.224 ( 1.834 -1.647 -1.001) 2.660 3.304 ( 1.287 -1.427 -3.661) 4.134 3.373 ( -3.743 -0.375 -1.016) 3.897 3.425 ( -8.430 -1.470 -2.531) 8.924 3.525 ( 1.859 1.396 2.889) 3.708 3.578 ( -2.579 -1.602 2.538) 3.957 3.710 ( 4.131 1.436 3.809) 5.799 3.819 ( -3.103 0.502 2.326) 3.911 3.924 ( 2.236 3.980 2.178) 5.058 3.995 ( -4.774 2.829 -3.515) 6.569 4.105 ( 2.640 -0.116 3.934) 4.739 4.191 ( 4.137 -0.180 1.599) 4.439 4.257 ( -1.371 3.209 -0.402) 3.513 4.352 ( -3.132 -0.986 -1.345) 3.548 4.384 ( 3.012 2.480 0.273) 3.911 4.440 ( 0.912 1.897 1.314) 2.482 4.496 ( -1.978 3.516 -3.502) 5.342 4.551 ( -0.910 1.908 -1.998) 2.909 4.624 ( 3.612 0.349 1.019) 3.770 4.709 ( -1.965 -0.357 -1.290) 2.377 4.781 ( 1.264 -0.556 1.223) 1.844 4.876 ( 0.080 -2.584 2.534) 3.620 4.930 ( -1.077 0.240 -2.235) 2.493 5.013 ( 0.861 -4.450 0.122) 4.534 5.029 ( -0.490 -3.110 0.317) 3.164 5.056 ( -0.263 -1.593 -1.397) 2.135 5.123 ( 0.534 -2.539 0.808) 2.717 5.128 ( -0.312 -4.574 0.410) 4.603 ======================= Grid point 102 (47/105) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -6.308 7.232 6.425) 11.549 0.904 ( -1.252 6.769 -2.583) 7.353 0.950 ( 4.112 3.859 3.604) 6.693 1.038 ( -2.689 6.067 2.792) 7.199 1.133 ( 1.459 11.797 1.175) 11.945 1.240 ( -5.019 2.721 -0.726) 5.755 1.366 ( 1.128 7.119 0.515) 7.226 1.388 ( -2.362 1.601 -4.540) 5.362 1.648 ( -1.828 -6.283 4.039) 7.689 1.758 ( 0.067 -5.682 -1.008) 5.771 1.979 ( -0.319 4.802 1.286) 4.981 2.016 ( -1.479 4.783 1.625) 5.264 2.238 ( 0.888 4.883 1.470) 5.176 2.258 ( 1.941 6.277 -1.556) 6.752 2.339 ( -0.340 5.278 -2.948) 6.055 2.459 ( 4.221 5.476 -1.371) 7.049 2.803 ( -2.086 -0.191 -0.904) 2.282 2.907 ( -1.663 1.296 -1.309) 2.482 3.119 ( 1.868 0.064 -3.625) 4.079 3.150 ( 1.127 -1.004 1.475) 2.111 3.231 ( 1.300 -1.748 -4.642) 5.128 3.278 ( -0.652 -0.745 -2.315) 2.517 3.299 ( -1.510 -1.913 1.284) 2.754 3.402 ( 6.025 -2.172 3.309) 7.209 3.550 ( -2.598 0.486 1.523) 3.051 3.582 ( 0.326 1.010 3.279) 3.447 3.784 ( -1.888 2.007 3.288) 4.290 3.791 ( -1.170 0.274 2.075) 2.397 3.820 ( -6.713 2.602 -3.353) 7.942 4.019 ( 3.535 4.544 2.337) 6.213 4.188 ( -4.413 0.584 -1.692) 4.762 4.193 ( -0.649 -0.907 0.810) 1.379 4.268 ( 2.081 0.464 0.893) 2.312 4.307 ( 1.456 3.115 1.596) 3.791 4.415 ( -0.524 1.707 -0.471) 1.847 4.434 ( -0.356 1.508 -2.772) 3.176 4.482 ( 2.684 3.371 0.965) 4.416 4.545 ( 2.594 2.019 -1.005) 3.437 4.624 ( -3.263 -0.479 -2.365) 4.058 4.726 ( 3.729 -1.056 0.332) 3.889 4.809 ( -0.434 1.148 1.858) 2.227 4.879 ( -1.004 -0.489 -2.273) 2.532 4.906 ( -0.223 -2.643 2.420) 3.591 4.992 ( -1.288 -2.743 -0.459) 3.064 5.025 ( -0.179 -2.960 -1.051) 3.146 5.060 ( 0.869 -3.739 0.012) 3.838 5.123 ( -0.334 -4.897 0.358) 4.921 5.140 ( 0.270 -2.761 0.558) 2.830 ======================= Grid point 103 (48/105) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -7.951 8.698 8.750) 14.678 0.869 ( -6.096 8.781 -2.165) 10.907 0.959 ( 0.974 4.049 -0.849) 4.250 1.045 ( 0.622 5.864 0.426) 5.912 1.151 ( -2.077 2.867 3.886) 5.257 1.235 ( 2.512 9.404 2.983) 10.181 1.280 ( -3.321 11.405 -3.234) 12.311 1.386 ( 0.604 3.481 -0.278) 3.544 1.641 ( -2.673 -7.433 3.136) 8.499 1.759 ( 0.826 -6.198 -0.737) 6.296 1.973 ( -1.115 4.976 0.288) 5.107 2.008 ( -0.644 5.317 1.008) 5.449 2.223 ( -1.692 5.959 -1.611) 6.401 2.295 ( 2.520 6.901 -0.056) 7.347 2.357 ( 2.747 5.300 0.021) 5.970 2.476 ( 0.200 5.314 -2.668) 5.949 2.781 ( 1.552 -2.694 -1.504) 3.454 2.839 ( -2.590 -0.682 -1.534) 3.086 3.125 ( 2.505 0.038 -0.678) 2.596 3.186 ( 0.065 -1.765 0.361) 1.802 3.209 ( 2.019 -1.876 -4.774) 5.513 3.266 ( 0.824 -1.227 -1.039) 1.806 3.355 ( 2.859 1.359 3.432) 4.669 3.513 ( -1.846 0.546 0.362) 1.959 3.557 ( 3.263 -1.773 5.146) 6.346 3.577 ( -3.344 -2.718 0.909) 4.404 3.688 ( -3.807 3.489 -0.606) 5.199 3.766 ( -3.195 2.362 1.654) 4.304 3.823 ( 2.641 0.338 3.536) 4.426 3.965 ( -7.063 5.368 -2.156) 9.130 4.172 ( 0.334 -2.656 3.350) 4.288 4.187 ( 0.517 1.189 -0.012) 1.296 4.301 ( 0.717 2.476 -1.352) 2.911 4.312 ( 0.596 2.493 -1.530) 2.986 4.399 ( -0.435 2.538 -0.155) 2.580 4.446 ( -0.840 3.273 -1.291) 3.617 4.502 ( 1.957 3.648 -0.374) 4.157 4.525 ( -1.646 0.648 -3.602) 4.013 4.655 ( 5.293 -1.140 2.858) 6.122 4.754 ( -0.526 -1.158 -0.337) 1.316 4.798 ( -0.909 -0.216 -1.357) 1.648 4.860 ( 0.022 -1.391 0.074) 1.393 4.916 ( -0.408 -3.258 0.849) 3.392 4.980 ( -0.538 -2.360 -0.368) 2.448 5.016 ( 0.725 -3.247 0.255) 3.337 5.064 ( -0.187 -2.392 -0.301) 2.418 5.128 ( 0.212 -5.015 0.530) 5.047 5.145 ( -0.079 -3.743 0.290) 3.755 ======================= Grid point 104 (49/105) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -8.151 10.175 11.036) 17.081 0.631 ( -10.041 11.956 -2.512) 15.814 1.016 ( 1.957 7.616 0.008) 7.863 1.077 ( 1.157 7.019 0.478) 7.129 1.151 ( -2.061 3.864 -0.864) 4.464 1.220 ( 2.079 15.142 1.301) 15.339 1.310 ( 0.305 7.881 2.996) 8.436 1.380 ( -0.532 1.715 -1.182) 2.149 1.621 ( -2.157 -8.317 2.603) 8.977 1.776 ( 1.340 -6.752 0.153) 6.885 1.952 ( -1.019 5.257 0.055) 5.355 2.008 ( -0.261 6.041 0.424) 6.061 2.162 ( -2.596 6.385 -1.353) 7.024 2.332 ( 0.574 6.192 0.107) 6.219 2.394 ( 1.458 6.345 -1.556) 6.694 2.455 ( 1.027 3.898 -2.591) 4.792 2.768 ( 1.294 -0.005 -2.642) 2.942 2.871 ( 3.871 -3.709 1.472) 5.559 3.150 ( 0.332 -0.665 -2.148) 2.273 3.195 ( -0.247 -3.368 -3.192) 4.647 3.211 ( 1.044 -1.621 3.643) 4.122 3.290 ( 2.352 -1.532 0.518) 2.854 3.380 ( -1.843 0.678 -1.879) 2.718 3.482 ( -2.841 -1.273 -0.436) 3.143 3.500 ( -1.359 1.361 1.708) 2.573 3.589 ( -2.223 1.240 1.322) 2.869 3.673 ( -1.880 1.310 2.392) 3.312 3.752 ( -0.588 1.894 4.571) 4.982 3.872 ( -1.625 7.159 1.025) 7.413 3.941 ( 5.931 -1.370 2.911) 6.747 4.078 ( -6.205 0.957 -2.495) 6.756 4.242 ( -1.244 -2.624 0.035) 2.904 4.283 ( -1.552 4.005 -2.729) 5.088 4.330 ( 0.287 4.276 0.883) 4.376 4.353 ( -0.253 1.367 -1.783) 2.261 4.436 ( 3.332 1.730 1.693) 4.118 4.484 ( 1.326 1.615 -3.714) 4.262 4.564 ( 2.137 1.295 0.857) 2.642 4.688 ( -4.152 1.142 -1.336) 4.508 4.778 ( 1.852 -2.410 0.267) 3.051 4.796 ( 3.846 -0.743 1.141) 4.080 4.859 ( -0.128 -2.097 -0.524) 2.165 4.903 ( -1.254 -4.380 0.159) 4.559 4.949 ( -1.566 -2.947 -1.644) 3.721 5.052 ( 1.782 -3.368 0.306) 3.823 5.068 ( 0.580 -2.649 0.930) 2.866 5.130 ( -0.451 -3.471 -0.119) 3.502 5.142 ( -0.579 -4.676 0.110) 4.713 ======================= Grid point 105 (50/105) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -3.439 12.406 7.731) 15.017 0.860 ( 1.979 11.858 4.353) 12.786 1.076 ( -0.795 -0.885 1.733) 2.102 1.171 ( -1.005 5.040 -2.432) 5.685 1.218 ( -2.286 2.917 -0.767) 3.785 1.275 ( 1.437 -0.515 -4.278) 4.542 1.398 ( 0.401 -8.625 3.953) 9.496 1.510 ( -2.080 -1.522 0.009) 2.578 1.683 ( 0.579 8.414 1.179) 8.516 1.717 ( -0.160 14.991 0.388) 14.997 2.005 ( -0.195 -1.560 1.332) 2.061 2.088 ( -0.211 1.238 -0.813) 1.496 2.254 ( 0.300 5.843 0.419) 5.866 2.372 ( -0.689 0.243 -1.540) 1.705 2.491 ( 1.190 5.137 -4.356) 6.840 2.543 ( 2.046 3.172 -2.730) 4.658 2.841 ( 2.101 1.005 2.715) 3.577 2.887 ( 0.296 -1.116 0.334) 1.201 3.080 ( -1.883 -1.059 -2.091) 3.006 3.089 ( -1.518 -1.578 -1.563) 2.690 3.228 ( 0.018 -1.275 1.247) 1.783 3.255 ( 0.146 -1.638 0.733) 1.801 3.406 ( 3.378 0.775 1.260) 3.688 3.456 ( 3.364 -1.217 1.618) 3.926 3.544 ( -2.023 1.152 3.161) 3.926 3.581 ( -3.230 -1.114 4.773) 5.870 3.712 ( 0.052 3.051 -0.894) 3.180 3.786 ( -1.383 0.290 1.617) 2.148 3.938 ( -3.480 0.036 -3.052) 4.629 3.957 ( -2.215 3.971 -3.176) 5.546 4.072 ( 3.339 2.205 0.214) 4.007 4.183 ( -2.452 -1.220 -2.303) 3.579 4.353 ( 1.872 4.350 0.664) 4.782 4.377 ( -0.337 3.960 0.233) 3.981 4.425 ( 0.463 1.653 0.055) 1.717 4.470 ( 2.231 0.454 0.271) 2.293 4.491 ( 0.340 -1.356 1.294) 1.905 4.619 ( 2.004 -2.089 0.609) 2.958 4.648 ( -0.016 0.136 -2.835) 2.838 4.749 ( -1.739 -4.024 -0.446) 4.406 4.774 ( 0.716 -0.124 0.813) 1.091 4.806 ( -0.569 -1.409 -0.901) 1.766 4.862 ( -0.375 -1.392 -0.703) 1.604 4.870 ( 0.113 -1.092 -0.227) 1.121 5.000 ( 1.338 -3.356 0.509) 3.649 5.020 ( -0.467 -3.669 0.529) 3.736 5.034 ( -0.975 -1.767 0.089) 2.020 5.074 ( 0.028 -2.878 -0.778) 2.981 ======================= Grid point 106 (51/105) ======================= q-point: ( 0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -2.516 10.405 7.873) 13.288 0.977 ( 3.808 7.154 3.786) 8.945 1.046 ( -1.877 8.131 -3.594) 9.086 1.123 ( -0.497 -1.666 3.148) 3.596 1.185 ( -1.820 3.243 0.209) 3.725 1.273 ( 2.962 1.357 -4.512) 5.566 1.430 ( -1.738 -1.876 1.853) 3.158 1.481 ( -0.026 -7.077 2.350) 7.457 1.702 ( -0.185 16.203 0.060) 16.204 1.708 ( -0.781 4.848 1.048) 5.021 2.010 ( -0.953 -1.973 1.160) 2.479 2.059 ( -1.192 0.854 -1.322) 1.974 2.295 ( 2.055 4.951 0.417) 5.377 2.375 ( 2.312 0.985 -0.752) 2.623 2.478 ( 1.478 6.834 -3.405) 7.777 2.543 ( 1.614 3.294 -3.805) 5.285 2.813 ( -5.745 0.281 -0.023) 5.752 2.852 ( -2.235 -2.368 1.133) 3.448 3.072 ( 1.592 0.094 -0.066) 1.597 3.098 ( 2.514 -1.653 -1.445) 3.338 3.239 ( 0.990 -0.054 1.071) 1.460 3.300 ( 3.022 -2.050 0.229) 3.659 3.457 ( -2.660 0.882 0.536) 2.853 3.472 ( -2.603 0.533 0.424) 2.690 3.540 ( -0.842 0.633 1.856) 2.134 3.603 ( 0.694 -2.149 6.269) 6.663 3.721 ( 0.627 2.144 -0.210) 2.243 3.769 ( -1.636 1.506 1.618) 2.750 3.819 ( -1.627 2.559 -2.190) 3.741 3.974 ( 3.462 0.420 0.086) 3.489 4.059 ( -1.879 -0.195 -2.724) 3.315 4.180 ( 2.833 -0.755 -0.178) 2.937 4.331 ( -0.641 3.069 -0.161) 3.140 4.407 ( -1.029 3.118 -1.840) 3.764 4.442 ( 0.705 2.835 0.540) 2.971 4.513 ( 2.954 2.270 0.394) 3.746 4.549 ( 1.096 1.369 1.520) 2.320 4.582 ( 1.017 0.480 -2.118) 2.398 4.657 ( -4.023 -1.221 -2.683) 4.988 4.700 ( 1.219 -3.168 0.933) 3.520 4.778 ( 0.536 -2.933 0.392) 3.007 4.824 ( -1.335 -2.727 0.840) 3.150 4.854 ( 2.880 -2.435 -0.934) 3.885 4.879 ( 0.818 1.686 -0.609) 1.971 4.988 ( -1.491 -3.456 0.102) 3.765 5.012 ( -1.380 -3.200 0.070) 3.486 5.043 ( 1.039 -2.283 1.046) 2.718 5.068 ( 0.105 -3.074 -0.814) 3.182 ======================= Grid point 107 (52/105) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -1.293 8.125 6.689) 10.603 1.005 ( 0.765 6.564 -1.140) 6.707 1.041 ( 0.873 2.970 2.039) 3.707 1.087 ( -5.487 2.770 0.059) 6.147 1.220 ( 3.064 0.803 0.256) 3.177 1.308 ( 4.320 4.359 -1.328) 6.279 1.416 ( -1.001 0.450 2.288) 2.537 1.516 ( -0.193 -7.148 2.787) 7.674 1.664 ( -2.367 12.317 -0.464) 12.551 1.728 ( 1.015 5.718 0.861) 5.871 1.989 ( -2.010 -2.899 0.486) 3.561 2.033 ( -0.318 0.360 -0.728) 0.872 2.322 ( 0.944 5.841 0.108) 5.918 2.407 ( -0.319 3.305 -0.101) 3.322 2.460 ( 0.623 4.038 -2.192) 4.637 2.526 ( -0.468 1.803 -4.718) 5.072 2.756 ( 0.794 0.554 0.248) 1.000 2.827 ( 0.690 -2.723 -1.757) 3.314 3.100 ( 1.265 -0.302 -0.280) 1.330 3.125 ( 1.966 -1.513 -1.329) 2.814 3.253 ( -1.617 2.275 -0.128) 2.794 3.357 ( 2.051 -1.002 2.366) 3.288 3.377 ( -2.938 0.083 -1.126) 3.148 3.440 ( -1.432 -1.298 3.669) 4.146 3.557 ( -0.970 3.514 3.069) 4.765 3.645 ( -2.973 0.534 2.446) 3.887 3.718 ( -0.237 0.423 -1.328) 1.413 3.753 ( 0.155 -1.056 0.078) 1.071 3.838 ( 3.660 3.986 1.979) 5.762 4.018 ( 1.922 -3.093 -1.603) 3.979 4.096 ( 4.754 0.936 1.453) 5.059 4.188 ( -2.015 -2.185 -0.391) 2.997 4.307 ( -3.187 3.298 -0.174) 4.590 4.387 ( 1.737 3.471 -1.001) 4.008 4.425 ( -0.534 5.046 -1.538) 5.302 4.486 ( -3.542 0.052 -1.921) 4.029 4.557 ( 0.333 2.654 -0.249) 2.687 4.596 ( 2.134 -0.608 -0.814) 2.364 4.669 ( 2.180 1.138 0.794) 2.584 4.705 ( -0.470 -3.185 0.108) 3.222 4.794 ( 0.917 -2.594 0.713) 2.842 4.824 ( -1.202 0.648 -1.561) 2.074 4.865 ( 1.475 -3.090 0.906) 3.542 4.885 ( 0.507 0.716 -1.574) 1.802 4.977 ( -0.825 -3.273 -0.307) 3.389 5.012 ( 1.389 -4.076 2.002) 4.749 5.047 ( -0.734 -2.426 -0.041) 2.534 5.072 ( 0.434 -2.898 -0.276) 2.943 ======================= Grid point 108 (53/105) ======================= q-point: ( 0.38 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -2.574 6.434 3.181) 7.625 0.986 ( -3.805 7.179 2.407) 8.474 1.040 ( 1.834 0.195 0.952) 2.076 1.079 ( 0.237 3.841 1.628) 4.178 1.256 ( 2.954 1.836 -2.980) 4.580 1.372 ( 1.828 3.695 0.955) 4.231 1.423 ( -0.533 -0.533 0.864) 1.146 1.521 ( -1.302 -5.822 1.724) 6.209 1.623 ( -1.680 11.153 0.363) 11.285 1.755 ( 0.971 5.344 -0.099) 5.433 1.960 ( -1.522 -3.054 1.514) 3.733 2.035 ( 0.479 0.189 0.592) 0.785 2.335 ( 0.411 6.371 -0.575) 6.410 2.366 ( -1.155 4.028 -0.806) 4.267 2.416 ( -3.079 1.699 -3.431) 4.913 2.495 ( 0.918 0.694 -0.875) 1.445 2.809 ( 3.724 0.544 -0.395) 3.785 2.863 ( 4.136 -1.510 -0.689) 4.457 3.109 ( 0.762 0.128 -1.844) 1.999 3.144 ( 1.461 -0.937 -1.935) 2.599 3.211 ( -1.619 2.689 -0.073) 3.140 3.312 ( -1.487 -0.975 -2.561) 3.118 3.439 ( 2.056 0.224 5.362) 5.747 3.493 ( 0.420 -1.111 4.038) 4.209 3.505 ( -5.315 2.725 -1.130) 6.079 3.583 ( -4.207 -0.935 -1.137) 4.457 3.693 ( 0.361 1.854 0.835) 2.065 3.780 ( 0.407 -1.931 2.866) 3.480 3.951 ( 4.319 4.150 0.086) 5.991 4.048 ( 4.098 1.325 1.487) 4.556 4.115 ( -4.454 0.065 0.443) 4.477 4.167 ( -0.307 -2.194 -1.012) 2.436 4.297 ( 3.335 1.912 2.235) 4.447 4.366 ( -1.402 5.113 -1.052) 5.405 4.400 ( -2.283 -1.021 -1.096) 2.730 4.467 ( 1.302 2.383 0.020) 2.716 4.557 ( 0.155 1.041 -1.981) 2.243 4.612 ( -0.677 -2.075 -0.257) 2.198 4.663 ( -0.708 2.255 -0.828) 2.505 4.710 ( 0.520 0.935 0.305) 1.112 4.763 ( -1.738 0.209 -1.558) 2.344 4.823 ( 0.517 0.080 0.390) 0.652 4.881 ( 1.760 -4.101 -0.194) 4.467 4.938 ( 2.695 -3.640 1.284) 4.708 4.967 ( -0.410 -0.571 -0.208) 0.733 5.030 ( 0.044 -3.959 -0.116) 3.961 5.052 ( 0.266 -1.879 -0.133) 1.902 5.066 ( -0.504 -2.430 0.077) 2.483 ======================= Grid point 109 (54/105) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.933 7.206 2.305) 7.623 0.976 ( -2.134 5.747 4.317) 7.498 1.051 ( -0.766 0.888 -1.220) 1.692 1.088 ( -0.738 1.903 1.961) 2.830 1.269 ( 1.175 2.156 -3.110) 3.962 1.388 ( -1.095 3.397 1.605) 3.913 1.408 ( -0.512 -0.462 -1.604) 1.746 1.516 ( -0.707 -5.006 1.198) 5.195 1.615 ( -0.108 10.736 1.594) 10.854 1.743 ( -1.077 5.096 -1.738) 5.491 1.975 ( 0.102 -2.533 3.400) 4.242 2.053 ( 0.084 -0.494 1.515) 1.595 2.330 ( 1.107 5.268 -0.810) 5.444 2.349 ( -0.767 4.902 -1.127) 5.088 2.408 ( 4.135 1.190 0.383) 4.319 2.478 ( -0.446 1.079 -2.941) 3.164 2.861 ( 0.375 1.291 0.890) 1.612 2.932 ( 1.868 -0.456 1.785) 2.623 3.101 ( 1.288 1.014 -2.305) 2.828 3.139 ( 1.284 0.340 -2.798) 3.097 3.200 ( 0.271 0.017 -0.503) 0.571 3.274 ( 0.284 -1.734 -3.223) 3.671 3.368 ( -4.761 -0.105 -2.458) 5.359 3.391 ( -7.339 -1.568 -4.823) 8.920 3.543 ( 2.701 0.970 3.488) 4.517 3.576 ( 0.464 0.438 3.325) 3.386 3.755 ( 1.700 2.524 4.505) 5.436 3.814 ( -0.711 -0.791 3.932) 4.073 4.016 ( 1.845 4.849 0.833) 5.255 4.053 ( -3.831 3.000 -1.189) 5.009 4.091 ( 0.075 -0.649 1.751) 1.869 4.188 ( 3.203 -0.778 2.200) 3.963 4.319 ( -4.718 0.179 -1.055) 4.838 4.355 ( 1.010 4.179 0.093) 4.301 4.396 ( 3.230 -1.407 1.318) 3.762 4.481 ( 0.222 1.240 0.314) 1.299 4.516 ( -0.653 0.713 -3.824) 3.944 4.598 ( 0.699 -1.024 -0.791) 1.471 4.650 ( 0.425 2.504 -1.438) 2.918 4.706 ( -1.696 1.076 -1.950) 2.800 4.761 ( 2.304 -0.574 2.128) 3.189 4.852 ( 0.925 0.494 2.370) 2.591 4.909 ( 0.413 -4.786 0.717) 4.857 4.943 ( -1.185 0.494 -1.968) 2.350 4.963 ( -0.536 -3.411 -0.066) 3.453 5.026 ( -0.632 -1.688 -1.501) 2.346 5.043 ( 0.001 -3.621 0.280) 3.632 5.068 ( 0.395 -2.670 0.318) 2.718 ======================= Grid point 110 (55/105) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -4.282 7.252 4.195) 9.409 0.999 ( 2.368 0.610 1.456) 2.846 1.023 ( -0.515 5.297 -1.014) 5.418 1.103 ( -0.561 1.831 3.294) 3.810 1.228 ( -2.802 2.628 -1.899) 4.285 1.364 ( -0.536 2.171 -3.178) 3.886 1.395 ( -0.898 2.059 2.775) 3.570 1.508 ( -1.555 -5.652 0.601) 5.893 1.648 ( 1.319 11.089 2.140) 11.371 1.704 ( -1.002 5.401 -1.478) 5.688 2.009 ( -0.079 -1.963 2.741) 3.372 2.065 ( -0.246 -0.729 1.303) 1.513 2.325 ( -0.087 4.270 -1.002) 4.387 2.375 ( 1.828 4.390 -0.455) 4.777 2.420 ( 1.474 3.272 -3.075) 4.726 2.526 ( 5.777 0.860 -1.149) 5.953 2.823 ( -4.856 2.375 0.558) 5.434 2.917 ( -4.443 -0.562 0.206) 4.483 3.132 ( 0.666 0.791 -3.360) 3.515 3.135 ( 2.433 -0.172 -0.138) 2.442 3.198 ( 0.879 -1.384 -2.656) 3.121 3.245 ( -0.252 -2.590 -2.878) 3.880 3.285 ( 1.059 0.704 0.387) 1.329 3.356 ( 3.993 -2.456 2.358) 5.248 3.575 ( -1.438 1.694 1.303) 2.576 3.603 ( -0.974 0.809 1.274) 1.796 3.808 ( -0.504 1.046 3.512) 3.699 3.815 ( -2.635 1.198 1.851) 3.436 3.905 ( -6.001 5.572 -0.612) 8.212 4.098 ( 3.189 3.245 2.717) 5.299 4.133 ( -4.901 -4.846 -0.804) 6.939 4.174 ( 0.431 -1.263 0.891) 1.604 4.295 ( 1.230 3.159 1.866) 3.870 4.402 ( 2.367 4.806 0.117) 5.358 4.449 ( 2.381 -1.197 -0.218) 2.674 4.468 ( -1.224 2.907 0.365) 3.175 4.497 ( 2.258 1.337 -1.886) 3.232 4.588 ( 0.116 -1.300 -2.755) 3.048 4.640 ( -0.770 2.512 -2.006) 3.306 4.691 ( 1.887 -1.622 0.056) 2.489 4.815 ( -0.165 -1.081 1.454) 1.820 4.866 ( -3.997 -0.981 -2.416) 4.772 4.877 ( 0.760 0.656 2.199) 2.418 4.940 ( -0.310 -1.861 1.307) 2.295 4.956 ( 1.706 -4.321 0.241) 4.652 4.994 ( -1.715 -1.322 -2.145) 3.048 5.037 ( -0.205 -3.773 0.458) 3.806 5.079 ( 0.277 -3.461 -0.115) 3.474 ======================= Grid point 111 (56/105) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -4.396 9.108 6.087) 11.804 1.010 ( -2.897 4.687 0.714) 5.556 1.046 ( -2.658 4.254 -2.640) 5.669 1.085 ( 3.502 0.860 1.113) 3.774 1.199 ( -0.481 2.989 3.795) 4.855 1.323 ( -0.287 1.208 -3.386) 3.607 1.426 ( -0.223 -0.876 2.837) 2.978 1.473 ( -1.612 -5.522 1.040) 5.845 1.677 ( -0.136 11.083 -1.039) 11.133 1.691 ( 0.626 8.292 1.502) 8.450 2.020 ( -0.823 -1.077 1.194) 1.807 2.071 ( 0.202 0.544 0.291) 0.649 2.320 ( -0.076 3.773 -0.864) 3.872 2.380 ( 1.887 1.607 -0.785) 2.600 2.477 ( 3.959 6.244 -1.036) 7.465 2.569 ( 0.313 3.306 -3.146) 4.574 2.745 ( -0.990 -0.358 -0.692) 1.260 2.825 ( -3.544 -1.247 -1.904) 4.212 3.128 ( 0.502 0.175 0.798) 0.959 3.156 ( 0.587 -1.066 -0.529) 1.327 3.181 ( 1.342 -0.730 -3.370) 3.700 3.229 ( -0.294 -2.302 0.366) 2.349 3.391 ( 5.322 1.962 2.802) 6.326 3.487 ( 3.505 -3.327 4.160) 6.376 3.532 ( -3.007 0.783 -0.162) 3.111 3.559 ( -3.110 -0.395 -0.046) 3.135 3.757 ( -2.736 3.109 -0.403) 4.161 3.808 ( -2.443 0.572 1.872) 3.130 3.860 ( -0.268 4.223 2.183) 4.761 4.026 ( -4.069 -0.937 -0.953) 4.283 4.135 ( -0.895 0.747 2.862) 3.090 4.199 ( 0.530 -0.162 -0.187) 0.584 4.337 ( 1.326 2.031 1.343) 2.773 4.396 ( 0.458 4.923 -3.181) 5.880 4.441 ( -0.423 0.594 0.257) 0.773 4.485 ( -1.654 1.378 -2.615) 3.387 4.538 ( 1.944 2.172 0.804) 3.024 4.570 ( -0.044 0.776 -3.920) 3.997 4.652 ( 4.166 1.044 2.939) 5.204 4.724 ( 0.974 -1.301 0.293) 1.651 4.772 ( -2.566 -2.332 -2.034) 4.020 4.796 ( -1.488 -3.511 -0.160) 3.817 4.908 ( -1.546 0.049 -0.205) 1.560 4.922 ( -2.189 -2.865 -0.235) 3.613 4.955 ( 2.071 -1.647 0.590) 2.711 5.004 ( 1.217 -3.245 1.428) 3.748 5.031 ( -0.720 -2.884 -0.736) 3.063 5.083 ( 0.263 -3.513 0.191) 3.528 ======================= Grid point 112 (57/105) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -4.643 10.909 7.748) 14.163 0.872 ( -5.890 12.242 -0.752) 13.606 1.057 ( 0.845 -1.102 1.659) 2.163 1.162 ( 2.902 2.518 -0.696) 3.905 1.241 ( 0.312 3.763 2.832) 4.720 1.292 ( 0.914 0.847 -3.763) 3.964 1.390 ( -3.174 -9.186 1.725) 9.870 1.510 ( 0.977 -0.647 2.211) 2.502 1.669 ( 0.126 8.763 -0.073) 8.765 1.710 ( 0.301 13.684 0.621) 13.702 2.007 ( -1.065 -0.923 0.520) 1.502 2.082 ( 0.918 1.112 -0.299) 1.473 2.288 ( -2.631 5.676 -0.480) 6.275 2.402 ( -0.541 0.766 0.241) 0.968 2.510 ( 1.483 4.792 -3.528) 6.132 2.533 ( 1.102 3.668 -2.853) 4.776 2.766 ( 3.059 -0.027 -0.674) 3.133 2.816 ( 4.275 -2.136 0.060) 4.779 3.136 ( -0.958 -0.913 -0.865) 1.581 3.143 ( -1.188 -1.649 -1.326) 2.427 3.193 ( 0.305 -0.075 2.804) 2.822 3.253 ( 1.471 -2.235 1.325) 2.986 3.394 ( -2.955 0.982 -2.271) 3.854 3.455 ( -3.055 -1.484 -1.542) 3.730 3.531 ( 0.137 1.628 3.836) 4.170 3.584 ( -1.312 -1.126 4.114) 4.462 3.727 ( -0.593 3.135 -0.546) 3.237 3.785 ( -0.890 0.705 2.022) 2.319 3.921 ( 3.726 0.740 0.883) 3.900 3.985 ( 0.401 1.576 0.291) 1.652 4.109 ( -3.886 3.003 -1.853) 5.249 4.206 ( 0.435 -0.654 1.450) 1.649 4.372 ( -0.791 4.012 0.150) 4.092 4.386 ( -1.997 2.813 -1.447) 3.741 4.402 ( 1.109 2.539 -1.044) 2.961 4.464 ( 2.051 -0.347 0.586) 2.161 4.480 ( -2.639 0.370 -2.113) 3.402 4.580 ( 1.177 -0.848 -1.565) 2.134 4.707 ( -1.517 -2.016 -2.249) 3.380 4.743 ( 0.322 1.882 1.531) 2.447 4.768 ( 0.199 -5.853 -0.609) 5.888 4.787 ( 3.034 0.528 2.585) 4.020 4.861 ( -0.857 -0.491 -1.491) 1.789 4.899 ( -1.531 -3.057 -0.112) 3.421 4.982 ( 0.639 -2.317 -0.491) 2.454 5.019 ( -0.211 -2.751 0.392) 2.787 5.032 ( 0.649 -3.501 0.938) 3.682 5.083 ( -0.216 -2.869 -0.324) 2.895 ======================= Grid point 113 (58/105) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -2.170 -6.756 4.879) 8.611 0.997 ( -2.170 6.756 4.879) 8.611 1.097 ( 0.459 -11.397 1.873) 11.559 1.097 ( 0.459 11.397 1.873) 11.559 1.268 ( 0.486 -4.123 -0.282) 4.161 1.268 ( 0.486 4.123 -0.282) 4.161 1.371 ( -1.531 -7.975 -1.426) 8.245 1.371 ( -1.531 7.975 -1.426) 8.245 1.884 ( 0.365 -9.243 1.281) 9.338 1.884 ( 0.365 9.243 1.281) 9.338 2.010 ( -0.489 -9.385 -1.338) 9.492 2.010 ( -0.489 9.385 -1.338) 9.492 2.345 ( -0.182 -3.027 -0.546) 3.082 2.345 ( -0.182 3.027 -0.546) 3.082 2.560 ( 2.166 -1.509 -3.635) 4.492 2.560 ( 2.166 1.509 -3.635) 4.492 2.863 ( 0.902 -1.232 1.975) 2.497 2.863 ( 0.902 1.232 1.975) 2.497 3.072 ( -1.868 -0.328 -1.332) 2.318 3.072 ( -1.868 0.328 -1.332) 2.318 3.226 ( -0.085 -0.963 1.391) 1.694 3.226 ( -0.085 0.963 1.391) 1.694 3.429 ( 3.544 -1.418 1.719) 4.187 3.429 ( 3.544 1.418 1.719) 4.187 3.564 ( -3.191 -0.788 3.633) 4.899 3.564 ( -3.191 0.788 3.633) 4.899 3.763 ( -0.242 -2.098 -0.420) 2.153 3.763 ( -0.242 2.098 -0.420) 2.153 3.960 ( -1.253 -1.633 -1.985) 2.860 3.960 ( -1.253 1.633 -1.985) 2.860 4.147 ( -0.863 -3.377 -2.745) 4.437 4.147 ( -0.863 3.377 -2.745) 4.437 4.405 ( -1.098 -1.825 0.289) 2.149 4.405 ( -1.098 1.825 0.289) 2.149 4.473 ( 2.329 -1.483 1.171) 2.999 4.473 ( 2.329 1.483 1.171) 2.999 4.520 ( 1.773 -6.480 1.472) 6.878 4.520 ( 1.773 6.480 1.472) 6.878 4.662 ( 0.165 -2.932 -1.785) 3.437 4.662 ( 0.165 2.932 -1.785) 3.437 4.813 ( -0.880 -1.490 -2.010) 2.652 4.813 ( -0.880 1.490 -2.010) 2.652 4.842 ( -0.472 -2.637 1.112) 2.900 4.842 ( -0.472 2.637 1.112) 2.900 4.972 ( 0.698 -0.794 0.379) 1.123 4.972 ( 0.698 0.794 0.379) 1.123 5.029 ( -0.340 -1.314 -0.282) 1.386 5.029 ( -0.340 1.314 -0.282) 1.386 ======================= Grid point 115 (59/105) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -2.691 -6.249 4.670) 8.252 0.998 ( -2.691 6.249 4.670) 8.252 1.130 ( 0.364 -2.926 0.307) 2.964 1.130 ( 0.364 2.926 0.307) 2.964 1.272 ( 0.380 -8.320 1.060) 8.396 1.272 ( 0.380 8.320 1.060) 8.396 1.348 ( 1.092 -6.059 -0.442) 6.173 1.348 ( 1.092 6.059 -0.442) 6.173 1.890 ( -1.234 -9.558 1.352) 9.732 1.890 ( -1.234 9.558 1.352) 9.732 1.975 ( -1.392 -9.470 -1.680) 9.718 1.975 ( -1.392 9.470 -1.680) 9.718 2.366 ( 2.338 -2.049 -0.228) 3.117 2.366 ( 2.338 2.049 -0.228) 3.117 2.565 ( 2.097 -1.540 -4.247) 4.980 2.565 ( 2.097 1.540 -4.247) 4.980 2.819 ( -4.917 -0.873 1.260) 5.150 2.819 ( -4.917 0.873 1.260) 5.150 3.078 ( 1.792 -0.537 -0.237) 1.886 3.078 ( 1.792 0.537 -0.237) 1.886 3.259 ( 2.339 -1.844 1.187) 3.206 3.259 ( 2.339 1.844 1.187) 3.206 3.473 ( -3.202 -0.542 0.033) 3.248 3.473 ( -3.202 0.542 0.033) 3.248 3.561 ( 0.815 -1.741 4.796) 5.167 3.561 ( 0.815 1.741 4.796) 5.167 3.760 ( 0.172 -1.531 -0.530) 1.629 3.760 ( 0.172 1.531 -0.530) 1.629 3.903 ( -1.058 -4.733 -1.305) 5.022 3.903 ( -1.058 4.733 -1.305) 5.022 4.129 ( 1.119 -4.085 -1.602) 4.528 4.129 ( 1.119 4.085 -1.602) 4.528 4.396 ( -0.825 -2.924 0.838) 3.152 4.396 ( -0.825 2.924 0.838) 3.152 4.511 ( 1.877 -3.205 -1.140) 3.886 4.511 ( 1.877 3.205 -1.140) 3.886 4.588 ( 1.754 -2.771 1.134) 3.470 4.588 ( 1.754 2.771 1.134) 3.470 4.643 ( 0.335 -2.831 -1.945) 3.451 4.643 ( 0.335 2.831 -1.945) 3.451 4.755 ( -1.926 -1.624 -0.316) 2.539 4.755 ( -1.926 1.624 -0.316) 2.539 4.879 ( 2.774 -2.497 1.142) 3.903 4.879 ( 2.774 2.497 1.142) 3.903 4.966 ( -1.548 -2.086 -0.989) 2.780 4.966 ( -1.548 2.086 -0.989) 2.780 5.023 ( -0.068 -0.860 0.284) 0.908 5.023 ( -0.068 0.860 0.284) 0.908 ======================= Grid point 117 (60/105) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -2.305 -4.597 3.456) 6.196 0.990 ( -2.305 4.597 3.456) 6.196 1.119 ( -0.759 -1.262 0.021) 1.472 1.119 ( -0.759 1.262 0.021) 1.472 1.302 ( 0.974 -7.893 1.017) 8.017 1.302 ( 0.974 7.893 1.017) 8.017 1.393 ( 2.400 -5.103 1.173) 5.760 1.393 ( 2.400 5.103 1.173) 5.760 1.861 ( -2.336 -8.845 -0.358) 9.155 1.861 ( -2.336 8.845 -0.358) 9.155 1.947 ( -0.489 -8.680 0.376) 8.702 1.947 ( -0.489 8.680 0.376) 8.702 2.410 ( 1.816 -2.561 0.686) 3.213 2.410 ( 1.816 2.561 0.686) 3.213 2.523 ( -2.078 -1.931 -4.768) 5.548 2.523 ( -2.078 1.931 -4.768) 5.548 2.781 ( 1.043 -1.947 -0.548) 2.276 2.781 ( 1.043 1.947 -0.548) 2.276 3.102 ( 1.314 -0.672 -0.339) 1.514 3.102 ( 1.314 0.672 -0.339) 1.514 3.308 ( 0.319 -3.016 0.330) 3.051 3.308 ( 0.319 3.016 0.330) 3.051 3.406 ( -2.335 -1.926 2.885) 4.182 3.406 ( -2.335 1.926 2.885) 4.182 3.619 ( -0.439 -2.623 3.384) 4.304 3.619 ( -0.439 2.623 3.384) 4.304 3.737 ( -0.942 -1.018 -1.972) 2.411 3.737 ( -0.942 1.018 -1.972) 2.411 3.931 ( 4.217 -4.939 0.257) 6.499 3.931 ( 4.217 4.939 0.257) 6.499 4.137 ( -0.144 -2.679 -0.033) 2.683 4.137 ( -0.144 2.679 -0.033) 2.683 4.376 ( -1.930 -3.239 0.102) 3.772 4.376 ( -1.930 3.239 0.102) 3.772 4.503 ( -0.574 -2.019 -1.683) 2.690 4.503 ( -0.574 2.019 -1.683) 2.690 4.583 ( -0.194 -3.227 -1.700) 3.653 4.583 ( -0.194 3.227 -1.700) 3.653 4.667 ( 1.806 -1.083 0.687) 2.215 4.667 ( 1.806 1.083 0.687) 2.215 4.778 ( 2.932 -1.629 1.274) 3.588 4.778 ( 2.932 1.629 1.274) 3.588 4.895 ( -2.544 -1.779 -2.875) 4.231 4.895 ( -2.544 1.779 -2.875) 4.231 4.947 ( 1.404 -1.657 1.628) 2.714 4.947 ( 1.404 1.657 1.628) 2.714 5.028 ( 0.239 -0.833 0.378) 0.945 5.028 ( 0.239 0.833 0.378) 0.945 ======================= Grid point 119 (61/105) ======================= q-point: ( 0.38 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.171 -3.754 1.858) 4.349 0.985 ( -1.171 3.754 1.858) 4.349 1.108 ( -1.236 -2.572 1.300) 3.136 1.108 ( -1.236 2.572 1.300) 3.136 1.324 ( 0.341 -6.303 0.874) 6.372 1.324 ( 0.341 6.303 0.874) 6.372 1.432 ( 1.100 -3.338 -0.043) 3.515 1.432 ( 1.100 3.338 -0.043) 3.515 1.817 ( -1.480 -8.120 -0.490) 8.269 1.817 ( -1.480 8.120 -0.490) 8.269 1.960 ( 0.258 -7.324 1.825) 7.553 1.960 ( 0.258 7.324 1.825) 7.553 2.404 ( -1.826 -0.977 -2.462) 3.217 2.404 ( -1.826 0.977 -2.462) 3.217 2.465 ( 0.133 -3.376 -0.555) 3.424 2.465 ( 0.133 3.376 -0.555) 3.424 2.829 ( 4.063 -1.547 -0.514) 4.378 2.829 ( 4.063 1.547 -0.514) 4.378 3.121 ( 1.330 -1.021 -1.269) 2.102 3.121 ( 1.330 1.021 -1.269) 2.102 3.273 ( -1.939 -2.895 -1.073) 3.646 3.273 ( -1.939 2.895 -1.073) 3.646 3.461 ( 1.436 -1.757 5.624) 6.064 3.461 ( 1.436 1.757 5.624) 6.064 3.555 ( -5.520 -1.973 -3.582) 6.870 3.555 ( -5.520 1.973 -3.582) 6.870 3.737 ( 0.913 -2.302 2.295) 3.376 3.737 ( 0.913 2.302 2.295) 3.376 4.031 ( 4.510 -3.191 -0.012) 5.525 4.031 ( 4.510 3.191 -0.012) 5.525 4.129 ( -0.092 -1.385 1.664) 2.167 4.129 ( -0.092 1.385 1.664) 2.167 4.347 ( -1.529 -2.935 0.594) 3.363 4.347 ( -1.529 2.935 0.594) 3.363 4.468 ( -1.340 -3.243 -1.516) 3.823 4.468 ( -1.340 3.243 -1.516) 3.823 4.569 ( -0.074 -1.125 -1.187) 1.637 4.569 ( -0.074 1.125 -1.187) 1.637 4.699 ( 0.637 -1.688 0.513) 1.876 4.699 ( 0.637 1.688 0.513) 1.876 4.810 ( -0.872 -3.211 -1.688) 3.731 4.810 ( -0.872 3.211 -1.688) 3.731 4.863 ( 2.371 -3.425 0.493) 4.195 4.863 ( 2.371 3.425 0.493) 4.195 4.973 ( 0.425 -1.244 0.337) 1.357 4.973 ( 0.425 1.244 0.337) 1.357 5.035 ( 0.026 -0.432 0.058) 0.437 5.035 ( 0.026 0.432 0.058) 0.437 ======================= Grid point 121 (62/105) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -1.237 -3.906 0.976) 4.212 0.977 ( -1.237 3.906 0.976) 4.212 1.100 ( -0.870 -1.884 1.380) 2.493 1.100 ( -0.870 1.884 1.380) 2.493 1.328 ( -0.611 -5.001 0.578) 5.071 1.328 ( -0.611 5.001 0.578) 5.071 1.439 ( -0.144 -2.930 -0.394) 2.960 1.439 ( -0.144 2.930 -0.394) 2.960 1.802 ( 0.115 -6.885 -0.062) 6.886 1.802 ( 0.115 6.885 -0.062) 6.886 1.977 ( -0.625 -6.174 2.022) 6.527 1.977 ( -0.625 6.174 2.022) 6.527 2.391 ( 2.264 -1.511 -0.535) 2.774 2.391 ( 2.264 1.511 -0.535) 2.774 2.454 ( -0.134 -3.307 -1.662) 3.703 2.454 ( -0.134 3.307 -1.662) 3.703 2.897 ( 1.419 -2.263 2.086) 3.389 2.897 ( 1.419 2.263 2.086) 3.389 3.125 ( 1.324 -1.302 -2.268) 2.932 3.125 ( 1.324 1.302 -2.268) 2.932 3.233 ( -0.703 -2.360 -2.104) 3.239 3.233 ( -0.703 2.360 -2.104) 3.239 3.371 ( -5.989 -0.522 -4.299) 7.390 3.371 ( -5.989 0.522 -4.299) 7.390 3.569 ( 2.328 -1.183 3.275) 4.189 3.569 ( 2.328 1.183 3.275) 4.189 3.793 ( 0.733 -1.348 4.779) 5.019 3.793 ( 0.733 1.348 4.779) 5.019 4.074 ( 1.515 -1.372 0.727) 2.170 4.074 ( 1.515 1.372 0.727) 2.170 4.135 ( -3.060 -4.476 0.005) 5.423 4.135 ( -3.060 4.476 0.005) 5.423 4.340 ( 0.571 -2.769 1.637) 3.267 4.340 ( 0.571 2.769 1.637) 3.267 4.457 ( 1.396 -3.993 0.007) 4.230 4.457 ( 1.396 3.993 0.007) 4.230 4.548 ( -0.013 -2.466 -2.738) 3.684 4.548 ( -0.013 2.466 -2.738) 3.684 4.690 ( -0.994 -2.106 -0.847) 2.478 4.690 ( -0.994 2.106 -0.847) 2.478 4.818 ( 1.904 -4.393 0.764) 4.849 4.818 ( 1.904 4.393 0.764) 4.849 4.893 ( -0.085 -3.044 0.330) 3.063 4.893 ( -0.085 3.044 0.330) 3.063 4.971 ( -0.604 -2.503 -0.367) 2.601 4.971 ( -0.604 2.503 -0.367) 2.601 5.029 ( -0.277 -1.151 -0.569) 1.314 5.029 ( -0.277 1.151 -0.569) 1.314 ======================= Grid point 123 (63/105) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.184 -3.707 2.053) 4.400 0.967 ( -1.184 3.707 2.053) 4.400 1.104 ( 0.354 -2.259 0.412) 2.323 1.104 ( 0.354 2.259 0.412) 2.323 1.317 ( -1.322 -6.197 0.894) 6.399 1.317 ( -1.322 6.197 0.894) 6.399 1.413 ( -2.126 -3.562 -0.543) 4.183 1.413 ( -2.126 3.562 -0.543) 4.183 1.816 ( 1.289 -4.604 -0.158) 4.784 1.816 ( 1.289 4.604 -0.158) 4.784 1.989 ( -0.151 -4.676 2.462) 5.287 1.989 ( -0.151 4.676 2.462) 5.287 2.391 ( -0.658 -1.906 -2.364) 3.108 2.391 ( -0.658 1.906 -2.364) 3.108 2.497 ( 5.312 -3.437 -0.691) 6.365 2.497 ( 5.312 3.437 -0.691) 6.365 2.881 ( -5.019 -2.859 1.204) 5.900 2.881 ( -5.019 2.859 1.204) 5.900 3.138 ( 1.162 -0.562 -0.921) 1.585 3.138 ( 1.162 0.562 -0.921) 1.585 3.198 ( 0.566 -1.714 -4.256) 4.623 3.198 ( 0.566 1.714 -4.256) 4.623 3.312 ( 2.191 -1.881 1.674) 3.338 3.312 ( 2.191 1.881 1.674) 3.338 3.604 ( -1.093 -0.869 0.784) 1.601 3.604 ( -1.093 0.869 0.784) 1.601 3.824 ( -1.665 -0.346 2.636) 3.136 3.824 ( -1.665 0.346 2.636) 3.136 4.023 ( -5.333 -6.031 -0.097) 8.052 4.023 ( -5.333 6.031 -0.097) 8.052 4.146 ( 2.078 -1.695 2.140) 3.431 4.146 ( 2.078 1.695 2.140) 3.431 4.374 ( 0.643 -4.338 1.555) 4.653 4.374 ( 0.643 4.338 1.555) 4.653 4.494 ( 1.561 -1.976 -0.479) 2.563 4.494 ( 1.561 1.976 -0.479) 2.563 4.536 ( 2.654 -3.198 -2.883) 5.058 4.536 ( 2.654 3.198 -2.883) 5.058 4.666 ( -0.570 -1.213 -0.121) 1.346 4.666 ( -0.570 1.213 -0.121) 1.346 4.824 ( -3.036 -2.453 -0.797) 3.984 4.824 ( -3.036 2.453 -0.797) 3.984 4.895 ( 1.130 -1.313 -0.126) 1.737 4.895 ( 1.130 1.313 -0.126) 1.737 4.964 ( -0.136 -3.401 1.543) 3.738 4.964 ( -0.136 3.401 1.543) 3.738 5.014 ( -0.457 -2.618 -1.053) 2.858 5.014 ( -0.457 2.618 -1.053) 2.858 ======================= Grid point 125 (64/105) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -1.187 -5.732 3.358) 6.748 0.973 ( -1.187 5.732 3.358) 6.748 1.119 ( 0.697 -0.694 -0.321) 1.035 1.119 ( 0.697 0.694 -0.321) 1.035 1.288 ( -2.798 -6.885 0.995) 7.498 1.288 ( -2.798 6.885 0.995) 7.498 1.375 ( -0.878 -4.563 0.421) 4.666 1.375 ( -0.878 4.563 0.421) 4.666 1.839 ( 1.403 -4.910 -0.329) 5.118 1.839 ( 1.403 4.910 -0.329) 5.118 2.012 ( 0.215 -4.779 1.526) 5.021 2.012 ( 0.215 4.779 1.526) 5.021 2.375 ( 1.033 -1.757 -1.099) 2.315 2.375 ( 1.033 1.757 -1.099) 2.315 2.572 ( 3.524 -2.913 -2.401) 5.164 2.572 ( 3.524 2.913 -2.401) 5.164 2.780 ( -4.059 -3.038 -1.098) 5.188 2.780 ( -4.059 3.038 -1.098) 5.188 3.138 ( -0.183 -0.879 -0.069) 0.900 3.138 ( -0.183 0.879 -0.069) 0.900 3.188 ( 0.808 -1.472 -0.744) 1.837 3.188 ( 0.808 1.472 -0.744) 1.837 3.431 ( 4.924 -2.255 3.757) 6.591 3.431 ( 4.924 2.255 3.757) 6.591 3.549 ( -3.717 -0.757 -0.714) 3.860 3.549 ( -3.717 0.757 -0.714) 3.860 3.801 ( -2.072 -1.235 0.567) 2.478 3.801 ( -2.072 1.235 0.567) 2.478 3.955 ( -2.244 -4.819 1.086) 5.425 3.955 ( -2.244 4.819 1.086) 5.425 4.176 ( -0.068 -2.062 0.912) 2.256 4.176 ( -0.068 2.062 0.912) 2.256 4.388 ( -0.065 -2.945 0.809) 3.054 4.388 ( -0.065 2.945 0.809) 3.054 4.513 ( 1.268 -4.153 -1.245) 4.517 4.513 ( 1.268 4.153 -1.245) 4.517 4.544 ( -0.014 -2.781 -3.402) 4.394 4.544 ( -0.014 2.781 -3.402) 4.394 4.703 ( 3.309 -2.682 3.167) 5.308 4.703 ( 3.309 2.682 3.167) 5.308 4.738 ( -3.776 -1.373 -1.590) 4.321 4.738 ( -3.776 1.373 -1.590) 4.321 4.885 ( -1.246 -1.390 -1.310) 2.280 4.885 ( -1.246 1.390 -1.310) 2.280 4.982 ( -0.539 -0.900 0.480) 1.154 4.982 ( -0.539 0.900 0.480) 1.154 5.010 ( 1.117 -2.665 0.504) 2.933 5.010 ( 1.117 2.665 0.504) 2.933 ======================= Grid point 127 (65/105) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.491 -6.398 4.159) 7.776 0.985 ( -1.491 6.398 4.159) 7.776 1.104 ( -1.837 -10.178 0.341) 10.348 1.104 ( -1.837 10.178 0.341) 10.348 1.262 ( -0.170 -1.062 0.009) 1.076 1.262 ( -0.170 1.062 0.009) 1.076 1.386 ( 0.298 -7.264 0.912) 7.327 1.386 ( 0.298 7.264 0.912) 7.327 1.861 ( 1.144 -7.136 0.133) 7.228 1.861 ( 1.144 7.136 0.133) 7.228 2.021 ( 0.081 -6.929 -0.273) 6.935 2.021 ( 0.081 6.929 -0.273) 6.935 2.375 ( -1.509 -3.100 0.056) 3.448 2.375 ( -1.509 3.100 0.056) 3.448 2.567 ( 0.911 -0.722 -4.212) 4.369 2.567 ( 0.911 0.722 -4.212) 4.369 2.780 ( 4.169 -1.461 0.382) 4.434 2.780 ( 4.169 1.461 0.382) 4.434 3.126 ( -1.537 -0.195 -0.216) 1.564 3.126 ( -1.537 0.195 -0.216) 1.564 3.210 ( 0.476 -1.757 2.057) 2.747 3.210 ( 0.476 1.757 2.057) 2.747 3.422 ( -3.038 -1.723 -1.902) 3.977 3.422 ( -3.038 1.723 -1.902) 3.977 3.560 ( -0.143 -1.306 4.360) 4.554 3.560 ( -0.143 1.306 4.360) 4.554 3.773 ( -0.751 -1.545 -0.118) 1.722 3.773 ( -0.751 1.545 -0.118) 1.722 3.959 ( 1.391 -2.566 -0.028) 2.918 3.959 ( 1.391 2.566 -0.028) 2.918 4.180 ( -0.287 -2.823 -0.158) 2.842 4.180 ( -0.287 2.823 -0.158) 2.842 4.407 ( 1.067 -1.273 1.800) 2.449 4.407 ( 1.067 1.273 1.800) 2.449 4.463 ( -2.882 -2.329 -2.853) 4.677 4.463 ( -2.882 2.329 -2.853) 4.677 4.519 ( -0.541 -4.695 -0.774) 4.789 4.519 ( -0.541 4.695 -0.774) 4.789 4.678 ( -0.786 -1.217 -1.371) 1.995 4.678 ( -0.786 1.217 -1.371) 1.995 4.807 ( 3.085 -2.572 2.463) 4.711 4.807 ( 3.085 2.572 2.463) 4.711 4.844 ( -1.230 -1.170 -1.258) 2.113 4.844 ( -1.230 1.170 -1.258) 2.113 4.969 ( -0.522 -0.867 -0.346) 1.070 4.969 ( -0.522 0.867 -0.346) 1.070 5.031 ( 0.312 -2.037 0.242) 2.075 5.031 ( 0.312 2.037 0.242) 2.075 ======================= Grid point 153 (66/105) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 1.552 0.000 8.043) 8.191 0.468 ( 11.146 0.000 6.592) 12.949 0.654 ( 2.298 0.000 1.900) 2.982 0.790 ( -10.115 0.000 -9.920) 14.168 0.959 ( -4.362 0.000 22.431) 22.851 1.239 ( 1.229 0.000 -0.013) 1.229 1.274 ( -2.357 0.000 1.365) 2.724 1.333 ( 1.963 0.000 -13.171) 13.317 1.687 ( -1.964 0.000 -0.019) 1.964 1.698 ( 3.032 0.000 -0.949) 3.177 1.909 ( -2.345 0.000 -0.868) 2.500 1.921 ( 2.731 0.000 -2.466) 3.680 1.937 ( -2.069 0.000 8.005) 8.268 2.105 ( 0.375 0.000 -8.775) 8.783 2.255 ( 0.877 0.000 4.220) 4.310 2.312 ( 0.267 0.000 -2.033) 2.051 2.794 ( 7.855 0.000 1.797) 8.057 2.855 ( -8.226 0.000 -4.281) 9.273 3.180 ( -1.708 0.000 1.314) 2.155 3.209 ( -0.444 0.000 -1.495) 1.560 3.308 ( 0.404 0.000 -1.300) 1.362 3.314 ( 2.530 0.000 -2.107) 3.292 3.504 ( 7.163 0.000 2.799) 7.690 3.514 ( 2.191 0.000 1.615) 2.722 3.532 ( 0.133 0.000 0.285) 0.315 3.555 ( -9.218 0.000 -2.043) 9.442 3.656 ( 2.183 0.000 1.057) 2.426 3.677 ( -6.068 0.000 -0.867) 6.130 3.904 ( 4.520 0.000 5.537) 7.147 3.990 ( -4.870 0.000 -3.419) 5.950 4.144 ( -6.089 0.000 1.124) 6.192 4.151 ( 5.109 0.000 -0.177) 5.112 4.224 ( 3.264 0.000 2.809) 4.306 4.264 ( -0.690 0.000 -1.690) 1.826 4.364 ( 5.350 0.000 0.514) 5.374 4.389 ( -3.951 0.000 -1.163) 4.119 4.434 ( -3.601 0.000 1.158) 3.783 4.494 ( -0.626 0.000 -3.902) 3.952 4.725 ( 2.380 0.000 4.003) 4.658 4.770 ( -0.745 0.000 2.011) 2.145 4.792 ( -0.924 0.000 -3.326) 3.452 4.801 ( 1.160 0.000 -1.351) 1.781 5.039 ( 0.017 0.000 0.419) 0.420 5.045 ( -0.167 0.000 -0.207) 0.266 5.083 ( -0.149 0.000 1.276) 1.285 5.103 ( 0.010 0.000 -0.821) 0.821 5.195 ( -0.485 0.000 -0.061) 0.488 5.196 ( 0.558 0.000 -0.189) 0.590 ======================= Grid point 154 (67/105) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 1.536 0.000 -8.945) 9.076 0.500 ( 1.766 0.000 -7.476) 7.682 0.652 ( 1.749 0.000 2.003) 2.659 0.863 ( 3.474 0.000 12.689) 13.156 1.122 ( -2.359 0.000 9.985) 10.260 1.226 ( 5.492 0.000 -12.763) 13.895 1.240 ( -0.493 0.000 4.720) 4.745 1.283 ( -0.512 0.000 -0.470) 0.695 1.655 ( -1.033 0.000 -0.265) 1.067 1.748 ( 3.587 0.000 -1.647) 3.947 1.871 ( -1.434 0.000 1.079) 1.795 1.958 ( 3.088 0.000 -1.524) 3.444 1.989 ( -2.213 0.000 10.734) 10.960 2.037 ( 1.027 0.000 -7.182) 7.255 2.275 ( -0.692 0.000 -4.171) 4.228 2.287 ( -0.884 0.000 1.955) 2.146 2.719 ( -1.918 0.000 -2.939) 3.509 2.976 ( 6.742 0.000 2.913) 7.344 3.151 ( -3.599 0.000 2.028) 4.131 3.176 ( -1.485 0.000 -0.686) 1.636 3.310 ( 0.243 0.000 -1.626) 1.644 3.349 ( 2.752 0.000 -0.626) 2.822 3.407 ( -3.240 0.000 -1.513) 3.576 3.456 ( -2.663 0.000 -0.412) 2.695 3.528 ( -0.347 0.000 1.528) 1.567 3.607 ( -3.581 0.000 0.115) 3.583 3.718 ( 8.050 0.000 2.765) 8.512 3.750 ( 2.099 0.000 3.086) 3.732 3.851 ( -2.641 0.000 -3.800) 4.627 3.956 ( -3.463 0.000 4.435) 5.627 4.083 ( -0.725 0.000 -1.089) 1.309 4.198 ( -3.373 0.000 2.520) 4.211 4.238 ( 1.209 0.000 -1.968) 2.309 4.247 ( 0.419 0.000 -1.699) 1.750 4.327 ( 1.910 0.000 0.640) 2.015 4.418 ( -0.816 0.000 -2.991) 3.100 4.473 ( 0.244 0.000 2.833) 2.844 4.536 ( 6.134 0.000 2.670) 6.690 4.667 ( -5.890 0.000 -4.602) 7.474 4.724 ( -2.243 0.000 3.063) 3.796 4.801 ( -0.676 0.000 0.986) 1.196 4.835 ( 2.946 0.000 -2.283) 3.727 5.038 ( -0.477 0.000 -0.291) 0.559 5.044 ( 0.032 0.000 0.578) 0.579 5.096 ( 0.080 0.000 0.962) 0.965 5.100 ( 0.623 0.000 -0.843) 1.049 5.188 ( -0.407 0.000 -0.426) 0.589 5.212 ( 1.179 0.000 0.582) 1.315 ======================= Grid point 155 (68/105) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 4.734 0.000 -6.628) 8.145 0.610 ( 18.601 0.000 1.527) 18.664 0.706 ( 0.760 0.000 0.806) 1.108 0.905 ( -12.256 0.000 3.235) 12.676 1.053 ( -5.911 0.000 12.941) 14.227 1.241 ( 8.351 0.000 -11.273) 14.030 1.265 ( -0.754 0.000 -0.465) 0.886 1.345 ( 4.186 0.000 0.532) 4.220 1.654 ( 0.447 0.000 1.085) 1.173 1.795 ( 3.517 0.000 -2.499) 4.314 1.880 ( -0.487 0.000 3.819) 3.850 1.977 ( 0.923 0.000 -3.088) 3.223 2.035 ( 4.412 0.000 -2.888) 5.273 2.052 ( -3.535 0.000 11.422) 11.957 2.213 ( -0.821 0.000 -5.235) 5.299 2.263 ( -2.170 0.000 -0.573) 2.245 2.729 ( 3.776 0.000 -0.597) 3.823 2.997 ( -6.098 0.000 -2.155) 6.467 3.080 ( -3.476 0.000 0.988) 3.614 3.157 ( 0.357 0.000 -0.481) 0.599 3.275 ( -1.329 0.000 -1.746) 2.194 3.361 ( -1.253 0.000 0.911) 1.549 3.431 ( -4.538 0.000 -1.163) 4.685 3.438 ( 5.428 0.000 0.501) 5.451 3.568 ( 2.603 0.000 2.400) 3.541 3.575 ( 3.154 0.000 3.391) 4.631 3.771 ( 2.493 0.000 -0.223) 2.503 3.776 ( -1.841 0.000 3.915) 4.326 3.856 ( -5.753 0.000 -3.143) 6.556 3.909 ( 3.202 0.000 -1.947) 3.747 4.084 ( -1.487 0.000 0.170) 1.497 4.161 ( 0.894 0.000 1.934) 2.131 4.281 ( 2.138 0.000 0.142) 2.143 4.305 ( 3.363 0.000 1.952) 3.888 4.355 ( -0.522 0.000 -0.176) 0.551 4.366 ( -1.044 0.000 -1.533) 1.854 4.443 ( -2.779 0.000 0.500) 2.824 4.456 ( -5.243 0.000 -5.502) 7.600 4.708 ( 4.830 0.000 2.201) 5.307 4.731 ( -1.423 0.000 2.611) 2.974 4.754 ( -3.839 0.000 0.354) 3.855 4.861 ( 2.574 0.000 -2.925) 3.897 5.021 ( -0.834 0.000 -0.419) 0.934 5.044 ( -0.634 0.000 -0.272) 0.690 5.102 ( -0.077 0.000 0.776) 0.779 5.105 ( 0.806 0.000 -1.142) 1.397 5.176 ( -0.481 0.000 0.481) 0.680 5.246 ( 0.662 0.000 1.892) 2.005 ======================= Grid point 156 (69/105) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 2.115 0.000 -2.090) 2.973 0.692 ( -1.596 0.000 -1.307) 2.063 0.706 ( -6.298 0.000 3.676) 7.292 0.947 ( 12.873 0.000 2.190) 13.058 1.078 ( -8.309 0.000 15.362) 17.466 1.171 ( -5.604 0.000 -3.040) 6.375 1.350 ( 10.086 0.000 -8.137) 12.959 1.400 ( 3.419 0.000 -3.114) 4.624 1.688 ( 1.407 0.000 2.185) 2.599 1.819 ( 1.831 0.000 -3.526) 3.974 1.910 ( -1.385 0.000 5.093) 5.278 1.969 ( 1.422 0.000 -2.082) 2.521 2.063 ( -5.787 0.000 8.730) 10.474 2.089 ( 2.606 0.000 -2.844) 3.858 2.170 ( 3.252 0.000 -4.701) 5.716 2.210 ( -2.372 0.000 -0.975) 2.564 2.786 ( 2.300 0.000 -1.395) 2.690 2.840 ( -6.031 0.000 -1.227) 6.155 3.040 ( -0.067 0.000 -0.323) 0.330 3.187 ( 2.821 0.000 0.418) 2.852 3.242 ( -0.249 0.000 -0.621) 0.669 3.323 ( -2.231 0.000 -2.875) 3.639 3.387 ( -0.434 0.000 0.374) 0.573 3.544 ( 2.434 0.000 2.022) 3.164 3.610 ( -2.523 0.000 0.461) 2.565 3.611 ( -2.686 0.000 2.827) 3.900 3.751 ( -1.413 0.000 -0.862) 1.655 3.802 ( 1.603 0.000 1.866) 2.460 3.837 ( 3.517 0.000 -1.049) 3.670 3.934 ( 2.366 0.000 -1.205) 2.656 4.017 ( -2.880 0.000 1.798) 3.395 4.207 ( 0.588 0.000 -0.785) 0.980 4.241 ( -5.578 0.000 -3.057) 6.361 4.251 ( -1.256 0.000 -1.043) 1.633 4.365 ( 0.515 0.000 -0.928) 1.061 4.372 ( 1.525 0.000 2.699) 3.100 4.425 ( 2.645 0.000 -0.556) 2.703 4.520 ( 5.803 0.000 3.195) 6.624 4.631 ( -6.688 0.000 -0.851) 6.742 4.756 ( -0.960 0.000 3.144) 3.288 4.769 ( 0.584 0.000 -0.174) 0.610 4.867 ( 1.674 0.000 -4.050) 4.382 5.003 ( -0.653 0.000 -0.222) 0.690 5.017 ( -1.072 0.000 -0.847) 1.366 5.108 ( 0.747 0.000 -0.821) 1.110 5.112 ( 0.055 0.000 0.798) 0.800 5.190 ( 0.730 0.000 1.800) 1.942 5.261 ( -0.647 0.000 1.079) 1.258 ======================= Grid point 157 (70/105) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 4.596 0.000 2.782) 5.372 0.624 ( -4.317 0.000 -1.638) 4.617 0.769 ( 5.043 0.000 8.512) 9.894 0.932 ( -7.786 0.000 -7.862) 11.064 1.043 ( -9.997 0.000 12.973) 16.378 1.189 ( 8.264 0.000 -0.803) 8.303 1.403 ( -0.717 0.000 -2.981) 3.066 1.404 ( 2.062 0.000 -4.944) 5.357 1.738 ( 1.237 0.000 2.258) 2.574 1.793 ( -0.377 0.000 -3.669) 3.688 1.917 ( -3.789 0.000 5.763) 6.897 1.991 ( 2.606 0.000 -2.095) 3.344 2.033 ( -4.108 0.000 5.652) 6.988 2.083 ( 1.395 0.000 -2.242) 2.641 2.156 ( -3.098 0.000 0.099) 3.100 2.231 ( 6.299 0.000 -4.920) 7.993 2.782 ( 0.037 0.000 -0.963) 0.964 2.793 ( 1.181 0.000 -1.898) 2.236 3.104 ( 4.208 0.000 4.396) 6.086 3.212 ( -3.914 0.000 -6.637) 7.705 3.248 ( 1.112 0.000 0.752) 1.342 3.257 ( 1.032 0.000 -0.088) 1.036 3.400 ( 2.507 0.000 1.517) 2.931 3.432 ( -6.815 0.000 -1.671) 7.017 3.592 ( -1.561 0.000 2.836) 3.237 3.619 ( 0.804 0.000 0.057) 0.806 3.791 ( 0.676 0.000 2.190) 2.292 3.835 ( 2.322 0.000 3.983) 4.611 3.851 ( -1.875 0.000 -3.491) 3.963 3.897 ( -3.110 0.000 -2.152) 3.782 4.076 ( 2.197 0.000 3.883) 4.461 4.138 ( 0.085 0.000 -2.652) 2.653 4.218 ( -0.858 0.000 0.269) 0.899 4.246 ( 1.747 0.000 -1.725) 2.455 4.405 ( 2.551 0.000 1.113) 2.784 4.414 ( -1.601 0.000 0.096) 1.604 4.448 ( 1.810 0.000 0.238) 1.826 4.469 ( -3.861 0.000 -1.796) 4.258 4.672 ( 4.234 0.000 3.558) 5.531 4.731 ( -2.914 0.000 -2.718) 3.985 4.767 ( -1.470 0.000 4.109) 4.364 4.849 ( 1.064 0.000 -4.531) 4.654 4.994 ( -0.236 0.000 0.182) 0.298 5.001 ( 0.080 0.000 -0.529) 0.536 5.113 ( -0.629 0.000 0.393) 0.742 5.118 ( 0.693 0.000 -0.271) 0.744 5.229 ( 1.376 0.000 1.750) 2.226 5.247 ( -1.198 0.000 -0.184) 1.212 ======================= Grid point 158 (71/105) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -6.060 0.000 -1.056) 6.152 0.657 ( -0.178 0.000 2.820) 2.826 0.780 ( 0.884 0.000 -4.169) 4.262 0.901 ( -7.915 0.000 8.142) 11.355 1.061 ( 4.909 0.000 9.008) 10.259 1.270 ( -11.583 0.000 -1.713) 11.709 1.312 ( 6.909 0.000 -3.038) 7.547 1.343 ( -3.392 0.000 -3.535) 4.899 1.744 ( -0.815 0.000 -3.781) 3.868 1.765 ( -1.012 0.000 2.463) 2.663 1.901 ( -3.366 0.000 5.683) 6.605 1.997 ( 1.240 0.000 -4.180) 4.360 2.044 ( -0.222 0.000 4.658) 4.663 2.096 ( -3.418 0.000 0.062) 3.419 2.123 ( 3.411 0.000 0.769) 3.497 2.280 ( 4.824 0.000 -6.279) 7.918 2.780 ( 0.340 0.000 -1.767) 1.799 2.829 ( 4.511 0.000 0.033) 4.511 3.079 ( -1.582 0.000 -4.455) 4.727 3.202 ( 0.073 0.000 0.159) 0.175 3.246 ( -0.312 0.000 -1.152) 1.194 3.257 ( 1.429 0.000 2.942) 3.270 3.383 ( -0.068 0.000 1.087) 1.089 3.549 ( 6.351 0.000 3.652) 7.326 3.587 ( -2.019 0.000 0.552) 2.094 3.633 ( 0.958 0.000 0.213) 0.981 3.738 ( -2.042 0.000 0.488) 2.099 3.787 ( -3.275 0.000 4.306) 5.410 3.844 ( -2.505 0.000 -2.873) 3.812 3.901 ( -1.982 0.000 1.467) 2.465 4.094 ( -0.140 0.000 -5.586) 5.588 4.160 ( 4.402 0.000 3.787) 5.807 4.227 ( 1.194 0.000 1.973) 2.306 4.242 ( 0.243 0.000 -2.366) 2.379 4.329 ( -3.124 0.000 1.474) 3.454 4.411 ( 0.233 0.000 -1.169) 1.192 4.447 ( -1.257 0.000 -2.189) 2.524 4.552 ( 1.427 0.000 0.400) 1.482 4.638 ( 0.157 0.000 -2.134) 2.140 4.753 ( 1.280 0.000 1.582) 2.035 4.785 ( -1.228 0.000 4.728) 4.885 4.823 ( 0.709 0.000 -4.030) 4.092 5.002 ( 0.294 0.000 -0.150) 0.330 5.002 ( 0.804 0.000 0.580) 0.992 5.099 ( -0.996 0.000 0.223) 1.021 5.122 ( -0.006 0.000 -0.355) 0.355 5.218 ( -1.071 0.000 -1.101) 1.536 5.267 ( 1.218 0.000 0.669) 1.390 ======================= Grid point 159 (72/105) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -7.634 0.000 3.473) 8.387 0.635 ( -11.166 0.000 2.551) 11.453 0.725 ( -7.791 0.000 -3.052) 8.367 0.909 ( 11.785 0.000 1.502) 11.881 1.005 ( -16.859 0.000 10.903) 20.078 1.226 ( 2.983 0.000 4.814) 5.663 1.227 ( -5.628 0.000 -2.513) 6.164 1.386 ( 5.872 0.000 -6.017) 8.408 1.695 ( -0.568 0.000 -3.200) 3.250 1.755 ( -2.083 0.000 1.777) 2.738 1.899 ( -2.807 0.000 5.093) 5.815 1.964 ( 0.203 0.000 -4.955) 4.959 2.029 ( -2.319 0.000 -2.060) 3.102 2.109 ( 0.965 0.000 5.890) 5.969 2.199 ( 3.494 0.000 -0.260) 3.504 2.284 ( 2.673 0.000 -6.417) 6.952 2.740 ( -2.182 0.000 -2.380) 3.229 2.963 ( 7.406 0.000 1.610) 7.579 3.102 ( 6.523 0.000 -1.301) 6.651 3.174 ( 0.334 0.000 -2.103) 2.129 3.249 ( 0.937 0.000 0.743) 1.196 3.334 ( 1.542 0.000 3.180) 3.535 3.403 ( 1.800 0.000 1.461) 2.318 3.473 ( -5.091 0.000 -2.289) 5.582 3.602 ( -4.533 0.000 -1.404) 4.745 3.637 ( -2.603 0.000 -1.750) 3.136 3.746 ( -3.939 0.000 1.803) 4.332 3.766 ( 1.359 0.000 4.019) 4.243 3.836 ( -4.901 0.000 4.821) 6.875 3.848 ( 5.458 0.000 -0.955) 5.541 4.087 ( 1.919 0.000 -1.077) 2.201 4.192 ( -0.836 0.000 -1.126) 1.403 4.298 ( 2.174 0.000 -1.410) 2.591 4.311 ( 1.549 0.000 2.235) 2.719 4.342 ( 2.522 0.000 5.821) 6.344 4.370 ( -2.652 0.000 -1.067) 2.859 4.378 ( -0.408 0.000 -3.328) 3.353 4.474 ( -0.309 0.000 -2.437) 2.457 4.737 ( -3.349 0.000 -0.646) 3.411 4.737 ( 5.134 0.000 0.685) 5.179 4.799 ( 0.778 0.000 -3.250) 3.342 4.802 ( -1.688 0.000 3.202) 3.620 5.012 ( 0.615 0.000 0.477) 0.779 5.031 ( 1.029 0.000 0.865) 1.344 5.086 ( -0.893 0.000 0.776) 1.183 5.113 ( -0.240 0.000 -0.446) 0.506 5.193 ( -0.234 0.000 -1.114) 1.139 5.281 ( 0.320 0.000 -1.276) 1.315 ======================= Grid point 160 (73/105) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( -14.475 0.000 3.409) 14.871 0.339 ( -3.363 0.000 9.432) 10.013 0.684 ( -1.847 0.000 0.207) 1.858 0.897 ( -11.574 0.000 20.022) 23.127 1.027 ( -4.721 0.000 -5.736) 7.429 1.169 ( 4.265 0.000 2.466) 4.926 1.281 ( -0.231 0.000 2.239) 2.251 1.405 ( 4.091 0.000 -10.083) 10.881 1.670 ( 0.946 0.000 -1.867) 2.093 1.725 ( -2.328 0.000 0.571) 2.397 1.904 ( -2.357 0.000 6.447) 6.864 1.921 ( 0.619 0.000 -4.193) 4.238 1.967 ( -2.107 0.000 -2.121) 2.989 2.186 ( 1.167 0.000 5.413) 5.538 2.187 ( 0.569 0.000 -8.725) 8.744 2.300 ( 2.042 0.000 -0.318) 2.066 2.701 ( 1.437 0.000 -1.227) 1.890 3.030 ( -2.451 0.000 -2.631) 3.596 3.180 ( 1.390 0.000 -1.018) 1.723 3.205 ( 4.655 0.000 -3.782) 5.998 3.282 ( 1.520 0.000 1.295) 1.997 3.346 ( -3.009 0.000 -0.337) 3.028 3.399 ( 1.637 0.000 -0.457) 1.699 3.472 ( -1.938 0.000 -2.015) 2.796 3.531 ( -1.524 0.000 0.916) 1.778 3.577 ( 6.705 0.000 3.639) 7.629 3.736 ( -0.618 0.000 2.475) 2.552 3.771 ( -7.246 0.000 3.212) 7.927 3.779 ( -3.118 0.000 0.476) 3.154 3.992 ( 9.506 0.000 0.095) 9.506 4.087 ( -1.772 0.000 -0.722) 1.914 4.211 ( 3.206 0.000 1.450) 3.519 4.215 ( -4.032 0.000 -0.424) 4.054 4.254 ( -1.793 0.000 -2.406) 3.001 4.363 ( -1.741 0.000 -3.182) 3.627 4.372 ( 0.915 0.000 1.668) 1.902 4.510 ( 2.869 0.000 -1.029) 3.048 4.540 ( 6.534 0.000 4.347) 7.848 4.621 ( -5.491 0.000 -1.534) 5.701 4.779 ( 1.433 0.000 -2.574) 2.946 4.789 ( -2.539 0.000 2.572) 3.614 4.817 ( 2.032 0.000 -0.858) 2.206 5.030 ( 0.540 0.000 0.565) 0.782 5.046 ( 0.120 0.000 0.375) 0.394 5.080 ( -0.763 0.000 1.180) 1.405 5.110 ( 0.108 0.000 -0.502) 0.513 5.189 ( 0.482 0.000 -0.465) 0.670 5.239 ( -2.563 0.000 -2.607) 3.656 ======================= Grid point 161 (74/105) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 10.783 7.248 10.118) 16.468 0.605 ( -0.722 13.246 6.037) 14.575 0.756 ( -0.343 9.598 -2.692) 9.975 0.801 ( -8.072 2.491 -6.469) 10.640 1.012 ( -2.541 5.931 14.430) 15.807 1.240 ( 0.618 0.499 -2.887) 2.994 1.281 ( -0.001 -1.251 -2.409) 2.715 1.288 ( -0.498 -0.019 -2.435) 2.485 1.772 ( 1.350 4.859 1.423) 5.240 1.803 ( -0.899 8.957 -1.293) 9.094 1.852 ( -0.397 -2.299 2.452) 3.384 1.901 ( -0.552 -1.867 -2.691) 3.322 2.041 ( 1.444 6.436 3.225) 7.342 2.146 ( -1.511 4.904 -5.827) 7.764 2.274 ( 0.761 2.043 1.959) 2.931 2.324 ( 0.689 1.514 -2.904) 3.347 2.817 ( 6.428 2.119 2.176) 7.109 2.871 ( -6.490 1.367 -3.231) 7.377 3.134 ( -1.930 -3.458 0.937) 4.069 3.168 ( 0.874 -3.705 -2.376) 4.488 3.293 ( 0.067 -1.705 -1.167) 2.067 3.299 ( 1.734 -1.142 -1.576) 2.607 3.470 ( 3.844 -1.520 2.996) 5.105 3.505 ( -1.566 -1.106 -0.501) 1.982 3.566 ( 3.442 2.978 1.745) 4.874 3.589 ( -5.150 1.413 -0.126) 5.342 3.683 ( 3.524 2.901 1.172) 4.712 3.706 ( -6.812 2.674 -0.748) 7.357 3.833 ( 1.756 -4.587 7.853) 9.263 3.952 ( -4.665 -3.260 -4.970) 7.556 4.118 ( -1.567 -1.254 3.849) 4.341 4.166 ( 5.879 1.063 -1.422) 6.141 4.271 ( 1.720 3.819 2.095) 4.683 4.289 ( -0.336 0.818 -0.711) 1.135 4.316 ( 1.032 -1.848 0.231) 2.129 4.359 ( -3.320 -0.740 -3.755) 5.066 4.468 ( 1.890 2.744 1.791) 3.782 4.512 ( -3.117 1.797 -2.609) 4.444 4.724 ( 3.640 -0.247 3.489) 5.048 4.780 ( -1.341 0.133 -2.621) 2.947 4.824 ( -0.506 1.186 0.226) 1.309 4.840 ( -0.120 1.873 -1.444) 2.368 4.994 ( 0.158 -4.083 0.629) 4.135 5.003 ( 0.159 -3.509 -0.440) 3.540 5.098 ( -0.671 -0.188 -0.077) 0.701 5.100 ( -0.364 -0.010 -0.364) 0.515 5.172 ( 0.305 -2.323 0.135) 2.347 5.177 ( -0.133 -1.981 -0.370) 2.020 ======================= Grid point 162 (75/105) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.797 9.092 -9.623) 13.263 0.655 ( 0.018 11.937 -2.499) 12.196 0.743 ( 2.278 9.328 3.978) 10.393 0.868 ( 3.420 1.632 9.914) 10.614 1.144 ( 2.132 1.343 6.390) 6.869 1.178 ( -3.195 -0.455 -5.029) 5.976 1.260 ( 2.300 1.767 -1.473) 3.253 1.289 ( 0.311 0.432 1.144) 1.262 1.765 ( -0.648 8.549 -1.757) 8.752 1.823 ( 2.092 4.218 1.377) 4.905 1.865 ( -0.787 -1.870 0.549) 2.101 1.879 ( -0.068 -1.773 1.356) 2.233 2.072 ( -0.001 4.250 -4.395) 6.114 2.117 ( 1.518 8.060 4.208) 9.219 2.292 ( -0.332 1.561 -1.769) 2.383 2.310 ( 0.778 2.733 -0.668) 2.919 2.734 ( -2.913 1.507 -2.178) 3.937 2.975 ( 4.824 -0.879 1.512) 5.131 3.103 ( -2.459 -3.305 1.718) 4.464 3.155 ( -0.301 -2.101 -1.061) 2.373 3.283 ( -0.561 -1.668 -0.989) 2.018 3.339 ( 3.404 -1.144 -0.869) 3.694 3.403 ( -3.865 0.167 -1.546) 4.166 3.475 ( -3.166 0.677 -1.127) 3.428 3.526 ( -0.281 0.745 2.869) 2.977 3.620 ( -2.291 0.676 -1.215) 2.680 3.733 ( 6.451 1.277 3.181) 7.305 3.781 ( -0.246 1.946 3.325) 3.860 3.830 ( -0.195 -1.075 -2.520) 2.746 3.940 ( 0.898 -1.363 5.521) 5.757 4.093 ( -0.724 1.920 -0.576) 2.131 4.176 ( -2.091 -4.920 -3.366) 6.317 4.254 ( -0.754 3.982 -0.054) 4.053 4.259 ( 0.453 1.655 -0.954) 1.964 4.327 ( 1.386 -0.679 -0.001) 1.544 4.397 ( 1.440 -0.322 -0.904) 1.731 4.456 ( -0.210 0.602 0.887) 1.093 4.575 ( 5.038 2.490 2.480) 6.142 4.656 ( -5.935 -0.876 -3.797) 7.100 4.750 ( -2.916 1.571 0.807) 3.410 4.801 ( -0.465 0.690 0.659) 1.062 4.873 ( 1.568 1.242 -0.560) 2.078 4.993 ( -0.282 -4.241 0.215) 4.255 5.005 ( 0.503 -3.382 -0.292) 3.432 5.088 ( -0.153 -0.968 0.577) 1.137 5.117 ( 0.778 0.685 0.428) 1.121 5.161 ( -0.720 -2.404 -0.403) 2.542 5.191 ( 0.910 -2.308 0.464) 2.524 ======================= Grid point 163 (76/105) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 6.431 10.401 -3.171) 12.633 0.682 ( 11.849 8.545 0.357) 14.614 0.801 ( 0.757 8.761 1.950) 9.007 0.913 ( -10.178 0.919 3.963) 10.961 1.064 ( -4.202 1.536 7.067) 8.364 1.206 ( 6.260 -0.757 -5.332) 8.257 1.266 ( -1.923 1.483 0.255) 2.442 1.351 ( 4.465 -0.055 -2.134) 4.948 1.754 ( 0.730 6.887 -0.651) 6.956 1.865 ( 0.391 0.299 0.617) 0.790 1.874 ( 2.469 3.077 -0.092) 3.946 1.897 ( -1.049 -3.713 3.946) 5.518 2.055 ( 1.945 4.253 -2.285) 5.205 2.173 ( -0.457 6.770 4.338) 8.053 2.240 ( -1.775 3.838 -4.038) 5.847 2.313 ( -0.317 4.389 -0.489) 4.427 2.735 ( 3.379 0.533 -0.411) 3.446 2.953 ( -5.154 -4.252 -2.079) 6.997 3.086 ( -1.810 0.625 0.501) 1.979 3.149 ( 0.841 -1.225 -0.525) 1.576 3.231 ( -2.362 -2.197 -1.215) 3.447 3.346 ( -1.597 -1.459 -1.732) 2.771 3.407 ( 3.087 -1.386 -0.231) 3.391 3.464 ( -0.685 2.307 1.866) 3.045 3.550 ( 0.844 -0.743 1.927) 2.231 3.602 ( 2.727 1.180 2.842) 4.112 3.779 ( -2.085 -0.333 3.084) 3.737 3.813 ( 2.719 1.898 0.379) 3.338 3.849 ( -2.941 0.520 -0.980) 3.143 3.906 ( -0.003 0.400 -3.267) 3.292 4.123 ( -0.997 3.769 0.107) 3.900 4.176 ( 2.693 0.772 2.118) 3.512 4.264 ( 2.663 -2.394 0.772) 3.663 4.278 ( 0.189 -1.584 0.028) 1.595 4.351 ( 1.333 0.992 0.452) 1.722 4.379 ( -1.501 1.130 -1.753) 2.569 4.424 ( -1.136 0.332 -1.899) 2.238 4.501 ( -4.069 2.807 -2.260) 5.436 4.710 ( 3.518 -0.052 2.629) 4.392 4.733 ( 0.123 0.343 1.671) 1.710 4.751 ( -4.385 0.453 -0.938) 4.507 4.890 ( 1.553 1.075 -1.579) 2.462 4.983 ( -1.281 -3.832 0.645) 4.091 5.023 ( 1.222 -2.106 -0.316) 2.456 5.087 ( -0.321 -1.278 0.023) 1.317 5.113 ( -0.537 -0.134 -1.597) 1.690 5.152 ( -0.261 -2.027 1.106) 2.324 5.216 ( 0.373 -2.959 1.606) 3.387 ======================= Grid point 164 (77/105) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.243 9.359 0.227) 9.908 0.766 ( -2.420 5.971 2.917) 7.072 0.792 ( 0.440 9.195 -2.223) 9.471 0.978 ( 9.240 2.709 4.785) 10.752 1.091 ( -3.727 1.498 9.687) 10.487 1.180 ( -6.094 2.522 -2.043) 6.905 1.295 ( 7.028 -2.338 -4.429) 8.630 1.387 ( 3.591 -1.327 -5.008) 6.304 1.771 ( 1.002 3.741 0.304) 3.885 1.860 ( -0.906 0.524 -1.112) 1.528 1.916 ( -1.842 -1.412 5.572) 6.036 1.925 ( 2.771 2.343 0.119) 3.631 2.087 ( 1.658 3.681 0.266) 4.045 2.164 ( -1.279 3.463 -4.016) 5.455 2.198 ( 0.576 5.514 1.869) 5.850 2.286 ( -1.542 6.086 -1.298) 6.411 2.785 ( 1.939 -0.035 -1.339) 2.357 2.848 ( -3.199 0.800 -0.634) 3.357 3.044 ( -0.495 0.612 -0.979) 1.257 3.177 ( 1.644 -2.829 0.392) 3.296 3.202 ( 0.657 -1.004 -0.400) 1.265 3.305 ( -0.637 -2.050 -2.606) 3.376 3.404 ( -1.316 1.481 -0.696) 2.100 3.527 ( 2.461 -1.385 2.356) 3.677 3.579 ( -3.309 -0.317 1.770) 3.766 3.655 ( -2.536 1.146 0.795) 2.894 3.705 ( -1.774 -3.849 -0.504) 4.268 3.798 ( 2.263 1.226 0.505) 2.622 3.873 ( 0.837 1.379 0.140) 1.619 3.957 ( 3.437 3.406 -0.664) 4.884 4.057 ( -2.243 2.662 1.564) 3.816 4.205 ( -0.796 -1.625 -0.115) 1.813 4.248 ( -2.796 1.225 -1.144) 3.260 4.275 ( 0.664 2.737 -0.870) 2.948 4.368 ( 1.132 0.165 1.899) 2.217 4.384 ( 0.410 1.855 -0.145) 1.905 4.428 ( 0.403 0.872 -2.193) 2.394 4.518 ( 6.334 -0.034 3.002) 7.009 4.634 ( -6.431 0.153 -2.056) 6.753 4.747 ( -0.780 -0.504 2.108) 2.304 4.771 ( 0.999 0.052 0.509) 1.123 4.891 ( 0.730 1.530 -3.048) 3.488 4.967 ( -1.009 -2.939 1.269) 3.357 5.025 ( 0.056 -0.091 -1.529) 1.533 5.088 ( 0.336 -1.912 0.131) 1.946 5.094 ( 0.044 -1.833 -0.414) 1.880 5.169 ( 0.579 -1.890 1.597) 2.541 5.226 ( -0.646 -3.393 0.900) 3.569 ======================= Grid point 165 (78/105) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 2.603 6.814 5.240) 8.982 0.735 ( -2.342 9.108 -1.928) 9.600 0.848 ( 4.617 8.009 5.034) 10.526 0.961 ( -7.914 2.413 -4.551) 9.442 1.067 ( -8.033 3.454 9.206) 12.697 1.190 ( 7.248 0.950 -0.820) 7.356 1.341 ( 0.108 -2.998 -1.302) 3.271 1.382 ( 0.813 -2.300 -5.583) 6.093 1.796 ( 1.059 0.863 1.242) 1.846 1.823 ( -1.076 0.415 -1.838) 2.170 1.925 ( -3.723 1.658 5.665) 6.979 1.966 ( 0.634 1.777 1.245) 2.260 2.100 ( -0.003 5.175 0.245) 5.181 2.126 ( 0.568 4.344 -2.504) 5.046 2.231 ( -1.126 6.024 -0.722) 6.170 2.261 ( 3.940 3.320 -2.263) 5.627 2.801 ( -1.439 1.772 -0.944) 2.470 2.809 ( 2.635 1.882 -1.496) 3.567 3.093 ( 3.602 -0.878 3.312) 4.971 3.172 ( -1.862 -2.694 -4.173) 5.305 3.242 ( 1.644 -0.819 1.172) 2.179 3.274 ( -0.101 0.228 -1.881) 1.897 3.382 ( 1.547 -1.396 0.734) 2.209 3.410 ( -7.026 -2.112 -2.221) 7.666 3.583 ( 0.750 -0.354 3.293) 3.396 3.619 ( -1.910 -0.239 -0.403) 1.967 3.778 ( 4.302 -0.785 3.538) 5.625 3.833 ( -0.853 0.294 1.345) 1.619 3.871 ( -5.053 2.203 -2.281) 5.965 3.901 ( 0.575 1.140 -1.254) 1.789 4.143 ( 3.581 5.005 3.503) 7.081 4.183 ( -1.462 3.109 -1.159) 3.626 4.214 ( 0.276 -0.442 1.618) 1.700 4.282 ( 0.699 3.539 -3.785) 5.228 4.384 ( 0.782 -1.180 1.283) 1.910 4.399 ( -1.219 -0.269 -0.034) 1.249 4.455 ( 4.966 0.272 0.864) 5.048 4.485 ( -6.105 0.707 -2.609) 6.677 4.660 ( 5.004 -0.745 2.742) 5.755 4.703 ( -3.778 -1.433 -1.575) 4.337 4.800 ( 0.186 1.711 2.614) 3.129 4.862 ( -0.024 0.872 -3.734) 3.834 4.971 ( -0.370 -1.638 1.890) 2.528 5.008 ( 0.180 -0.012 -1.970) 1.978 5.091 ( -0.744 -2.013 0.632) 2.237 5.101 ( 0.918 -1.949 -0.480) 2.207 5.200 ( 0.962 -2.771 1.457) 3.275 5.214 ( -0.910 -3.172 -0.107) 3.302 ======================= Grid point 166 (79/105) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -2.430 11.965 -1.442) 12.294 0.729 ( -2.484 5.721 4.506) 7.694 0.827 ( 0.041 5.011 -3.134) 5.911 0.970 ( -6.444 7.355 5.519) 11.229 1.075 ( 5.544 1.336 7.508) 9.429 1.247 ( -9.534 -0.780 -1.458) 9.676 1.291 ( 6.704 -1.093 -5.708) 8.873 1.309 ( -4.319 -2.050 0.609) 4.820 1.789 ( -0.684 1.888 -1.868) 2.743 1.834 ( 0.939 0.092 1.970) 2.185 1.889 ( -4.825 2.967 4.194) 7.048 1.972 ( -0.617 -0.379 0.142) 0.738 2.101 ( -0.297 4.341 -1.792) 4.706 2.119 ( 0.974 5.926 0.091) 6.006 2.225 ( 1.299 5.823 0.629) 5.999 2.310 ( 3.918 3.543 -4.212) 6.756 2.778 ( -0.125 -0.066 -1.218) 1.226 2.848 ( 2.525 1.591 -0.576) 3.040 3.066 ( -0.997 -0.795 -3.260) 3.501 3.192 ( 2.005 -2.857 -0.409) 3.515 3.212 ( -1.004 -0.150 -1.120) 1.511 3.261 ( -0.681 -0.900 1.227) 1.667 3.377 ( 0.770 -0.506 2.087) 2.281 3.535 ( 7.813 -1.707 4.840) 9.348 3.563 ( -2.702 -1.475 -0.833) 3.189 3.643 ( 1.514 0.324 2.344) 2.809 3.715 ( -3.810 -0.209 -1.580) 4.130 3.816 ( -3.919 -1.134 -1.129) 4.233 3.828 ( -1.455 2.061 4.280) 4.968 3.945 ( -0.218 3.954 0.274) 3.969 4.112 ( -0.607 1.766 -3.434) 3.909 4.220 ( 1.074 2.419 0.810) 2.768 4.237 ( 0.857 0.257 -2.209) 2.383 4.250 ( 0.766 3.401 2.425) 4.247 4.359 ( -2.469 2.863 0.389) 3.801 4.400 ( 0.451 -0.565 -1.081) 1.301 4.428 ( 0.320 -1.208 -0.823) 1.496 4.569 ( -1.832 1.220 -1.035) 2.433 4.603 ( 2.566 -2.570 0.010) 3.632 4.749 ( 2.030 -0.362 0.973) 2.280 4.805 ( -1.273 0.690 -0.541) 1.545 4.841 ( 0.531 1.746 0.349) 1.858 4.988 ( 0.168 -1.524 0.987) 1.823 4.998 ( 0.582 -0.592 -0.603) 1.026 5.078 ( -1.006 -2.083 0.440) 2.354 5.105 ( 0.025 -1.730 -0.673) 1.856 5.192 ( -0.823 -2.395 -0.783) 2.650 5.231 ( 1.057 -3.561 0.570) 3.758 ======================= Grid point 167 (80/105) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -5.277 15.343 1.718) 16.315 0.682 ( -10.970 4.690 3.204) 12.353 0.825 ( -5.691 8.278 -2.568) 10.369 0.922 ( 8.379 1.957 1.811) 8.793 1.047 ( -10.809 5.388 6.724) 13.823 1.184 ( -1.875 -1.645 -0.492) 2.542 1.256 ( 0.646 2.136 2.841) 3.613 1.349 ( 3.636 -2.648 -3.769) 5.868 1.759 ( -0.700 4.801 -1.391) 5.047 1.838 ( -3.867 -3.392 3.622) 6.291 1.863 ( -0.030 6.221 0.583) 6.249 1.955 ( -0.297 -2.138 -1.413) 2.580 2.056 ( -1.474 4.556 -2.639) 5.468 2.171 ( 2.179 5.945 2.744) 6.901 2.260 ( 1.894 4.601 -1.408) 5.171 2.323 ( 1.948 4.047 -3.625) 5.772 2.745 ( -1.951 0.344 -2.053) 2.853 2.918 ( 4.781 -4.085 1.742) 6.526 3.101 ( 5.214 0.056 -0.955) 5.301 3.167 ( 0.176 -1.495 -2.235) 2.695 3.222 ( 1.865 -0.701 -0.572) 2.073 3.300 ( 1.398 -2.895 2.729) 4.217 3.398 ( -1.063 -0.410 1.120) 1.597 3.495 ( -1.690 2.124 -1.100) 2.929 3.578 ( -3.926 -1.143 -1.126) 4.241 3.649 ( -4.381 -0.115 -1.509) 4.635 3.737 ( 3.536 -2.214 5.173) 6.645 3.802 ( -0.091 2.975 4.636) 5.509 3.830 ( -7.279 1.536 0.031) 7.439 3.863 ( 3.026 0.940 0.620) 3.229 4.128 ( 2.813 3.553 -1.271) 4.707 4.207 ( -4.365 0.503 -1.000) 4.506 4.262 ( 1.812 -1.566 -0.189) 2.403 4.306 ( 3.929 -0.293 0.716) 4.005 4.355 ( -1.359 1.278 1.994) 2.731 4.375 ( -2.920 0.394 -1.489) 3.302 4.394 ( -0.431 1.716 -2.379) 2.965 4.486 ( 1.903 1.841 -0.268) 2.661 4.724 ( 3.329 -0.792 1.533) 3.749 4.746 ( -0.916 0.416 -0.952) 1.385 4.773 ( -0.016 -0.561 -2.293) 2.361 4.860 ( 0.026 2.072 1.349) 2.473 4.996 ( 0.944 -3.063 -0.597) 3.260 5.010 ( -0.473 -1.301 0.777) 1.587 5.075 ( 0.112 -1.010 1.235) 1.599 5.098 ( 0.137 -1.337 -0.126) 1.350 5.172 ( -0.214 -1.917 -0.977) 2.162 5.244 ( 0.254 -3.659 -0.905) 3.777 ======================= Grid point 168 (81/105) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -9.553 10.526 3.707) 14.690 0.569 ( -3.077 16.115 5.548) 17.319 0.788 ( -1.112 9.280 0.761) 9.377 0.933 ( -9.025 5.009 11.392) 15.373 1.036 ( -2.710 1.455 -3.986) 5.035 1.178 ( 3.949 1.660 3.424) 5.484 1.294 ( -0.244 1.612 1.872) 2.482 1.343 ( 1.514 -4.142 -7.572) 8.762 1.746 ( 0.311 5.699 0.063) 5.708 1.816 ( -1.613 1.190 2.547) 3.241 1.855 ( -0.824 3.727 -0.220) 3.823 1.934 ( -0.225 -2.934 -2.181) 3.663 2.016 ( -0.518 5.663 -0.390) 5.700 2.220 ( -1.113 5.129 0.645) 5.288 2.246 ( 1.406 4.098 -3.499) 5.569 2.328 ( 1.164 2.746 -1.494) 3.336 2.717 ( 2.049 1.495 -0.688) 2.628 2.990 ( -0.830 -4.068 -0.101) 4.153 3.145 ( 0.999 -2.779 -1.370) 3.256 3.170 ( 2.201 -2.324 -3.869) 5.021 3.268 ( 2.205 -0.538 0.676) 2.368 3.337 ( -2.092 -1.111 -0.461) 2.413 3.381 ( 2.106 -1.522 1.075) 2.812 3.473 ( -0.598 0.300 -0.729) 0.989 3.549 ( -1.244 1.970 0.003) 2.330 3.564 ( 1.360 -1.109 4.482) 4.813 3.741 ( -2.165 0.750 3.249) 3.976 3.778 ( -4.043 0.859 1.668) 4.457 3.813 ( -3.893 2.771 1.295) 4.951 3.998 ( 9.098 -0.144 -0.441) 9.110 4.085 ( -5.105 -2.755 1.291) 5.943 4.142 ( -2.277 -0.388 -1.532) 2.772 4.233 ( -1.523 2.191 0.412) 2.700 4.278 ( 0.894 2.083 -1.367) 2.647 4.339 ( -1.392 -0.894 -0.487) 1.724 4.386 ( 1.565 0.947 -1.045) 2.107 4.469 ( 2.054 -1.011 0.570) 2.359 4.570 ( 5.645 1.419 3.172) 6.629 4.634 ( -5.634 1.041 -2.158) 6.122 4.773 ( 2.045 0.495 -1.497) 2.582 4.810 ( 2.083 0.641 -0.224) 2.191 4.869 ( 0.136 1.310 -0.095) 1.320 4.993 ( -1.236 -3.395 0.355) 3.630 5.004 ( 0.315 -4.002 -0.362) 4.030 5.094 ( 0.612 -0.931 0.012) 1.114 5.114 ( 0.716 1.036 0.660) 1.422 5.165 ( 0.264 -2.338 -0.701) 2.455 5.212 ( -1.976 -2.683 -1.915) 3.843 ======================= Grid point 169 (82/105) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 5.835 10.038 9.349) 14.907 0.828 ( -3.671 8.494 11.005) 14.379 0.888 ( -5.956 7.900 -8.438) 13.003 0.991 ( 2.498 10.493 -6.534) 12.611 1.145 ( -0.240 3.932 4.075) 5.668 1.229 ( 0.212 -0.894 -4.874) 4.960 1.360 ( 0.119 11.240 2.431) 11.500 1.375 ( -1.159 9.014 0.742) 9.119 1.700 ( -1.381 -7.462 5.129) 9.159 1.782 ( 0.856 -7.500 -2.928) 8.097 1.967 ( 1.003 6.951 0.825) 7.072 1.983 ( -1.112 7.344 -1.032) 7.499 2.172 ( 0.644 6.496 4.366) 7.853 2.276 ( -0.367 6.263 -5.991) 8.675 2.327 ( -0.906 3.605 1.432) 3.983 2.384 ( 1.816 4.469 -4.268) 6.441 2.862 ( 4.624 1.944 2.297) 5.517 2.893 ( -3.681 0.590 -1.018) 3.864 3.078 ( -1.961 -1.919 -0.393) 2.772 3.094 ( 0.930 -3.067 -2.106) 3.835 3.254 ( -0.572 -1.894 -0.255) 1.995 3.272 ( 1.343 -1.391 -1.906) 2.715 3.456 ( 3.122 0.022 3.900) 4.996 3.496 ( -0.902 -0.038 -0.340) 0.964 3.591 ( -1.725 -0.255 2.796) 3.295 3.615 ( 2.099 1.793 0.124) 2.763 3.752 ( -0.395 0.212 3.142) 3.174 3.777 ( 0.586 3.661 -0.054) 3.708 3.789 ( -4.854 3.512 2.704) 6.574 3.889 ( -3.102 -2.440 -5.210) 6.536 4.102 ( 4.250 -0.861 3.324) 5.463 4.167 ( -1.775 -1.877 -3.424) 4.289 4.292 ( 1.485 2.456 0.612) 2.934 4.307 ( -0.860 2.156 -0.902) 2.491 4.370 ( 1.370 4.313 1.533) 4.778 4.405 ( -0.557 3.264 -2.209) 3.980 4.520 ( 3.263 1.845 1.143) 3.919 4.550 ( -4.079 2.046 -2.060) 5.007 4.711 ( 4.505 -1.346 3.423) 5.816 4.772 ( -3.492 -1.556 -3.063) 4.899 4.811 ( -1.212 -1.737 0.992) 2.338 4.835 ( 1.416 -1.516 -1.508) 2.564 4.904 ( -0.373 -4.373 1.179) 4.544 4.925 ( 0.957 -4.053 -0.979) 4.278 5.071 ( 1.378 -2.237 0.453) 2.666 5.080 ( -2.382 -2.310 -0.537) 3.362 5.108 ( 0.280 -3.866 0.564) 3.917 5.121 ( -0.064 -3.411 -0.764) 3.496 ======================= Grid point 170 (83/105) ======================= q-point: ( 0.12 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.022 10.598 -6.759) 12.570 0.848 ( -2.763 8.321 10.415) 13.614 0.943 ( 4.709 5.845 5.365) 9.226 0.984 ( 3.089 11.132 -5.109) 12.632 1.152 ( -1.654 1.029 -2.997) 3.574 1.221 ( 0.935 0.536 2.739) 2.944 1.334 ( -0.935 7.782 0.303) 7.843 1.397 ( 0.272 11.569 0.819) 11.601 1.721 ( -1.526 -7.521 3.974) 8.642 1.772 ( 1.368 -6.748 -2.757) 7.417 1.950 ( -0.875 7.467 -0.650) 7.546 1.988 ( 0.083 6.024 0.902) 6.092 2.193 ( -0.513 6.789 -1.503) 6.972 2.278 ( 2.385 7.704 1.017) 8.128 2.336 ( 0.709 2.965 0.988) 3.204 2.390 ( 2.488 4.604 -2.817) 5.944 2.773 ( -4.608 2.137 -1.298) 5.243 2.916 ( -1.438 -4.162 -0.659) 4.453 3.075 ( 1.361 0.128 1.283) 1.875 3.112 ( 1.235 -1.863 -0.614) 2.318 3.260 ( -0.104 -0.658 0.260) 0.715 3.310 ( 3.992 -1.575 -1.065) 4.422 3.415 ( -3.864 0.845 -2.740) 4.812 3.476 ( -1.909 -0.020 -0.350) 1.941 3.563 ( -1.515 2.318 3.727) 4.644 3.630 ( 0.321 0.718 -2.586) 2.703 3.768 ( 1.549 2.124 2.999) 3.988 3.778 ( -1.658 -0.756 0.604) 1.920 3.822 ( -1.411 -1.485 3.899) 4.405 3.943 ( 7.783 2.484 3.295) 8.809 4.078 ( -1.348 -4.580 -3.720) 6.052 4.165 ( 0.838 4.027 0.830) 4.196 4.283 ( -0.016 -0.216 -0.495) 0.541 4.311 ( -0.235 2.668 -0.975) 2.850 4.348 ( -1.935 4.236 -0.311) 4.667 4.441 ( 2.040 3.508 -2.194) 4.613 4.493 ( 0.055 2.383 0.309) 2.404 4.612 ( 4.386 0.837 2.215) 4.984 4.632 ( -5.901 -1.525 -3.114) 6.845 4.759 ( -2.200 -0.617 0.590) 2.359 4.820 ( 0.673 0.978 0.891) 1.484 4.862 ( 1.588 -2.117 -0.974) 2.819 4.892 ( -1.349 -5.015 0.460) 5.214 4.925 ( 1.100 -4.411 -0.741) 4.606 5.051 ( -0.520 -2.882 0.276) 2.941 5.098 ( -0.134 -2.675 0.715) 2.772 5.111 ( 0.045 -2.373 -0.589) 2.446 5.122 ( 0.708 -4.321 0.694) 4.433 ======================= Grid point 171 (84/105) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 8.960 8.154 0.115) 12.115 0.901 ( -0.324 8.087 7.379) 10.953 0.950 ( -7.369 5.556 0.323) 9.234 1.009 ( 2.859 9.116 -4.789) 10.687 1.092 ( -0.045 1.125 1.400) 1.797 1.271 ( 1.228 5.369 2.735) 6.150 1.355 ( 3.122 2.382 -3.043) 4.968 1.388 ( -1.442 11.256 -0.049) 11.348 1.722 ( -2.049 -7.118 2.938) 7.969 1.778 ( 2.049 -6.070 -2.014) 6.715 1.952 ( 0.733 6.515 1.043) 6.638 1.989 ( -0.520 4.024 0.521) 4.091 2.179 ( 0.743 7.503 -1.138) 7.625 2.290 ( -1.658 5.796 1.123) 6.132 2.354 ( -0.669 5.967 -1.606) 6.215 2.408 ( 1.507 4.329 -0.349) 4.597 2.746 ( 2.155 0.491 -0.333) 2.235 2.859 ( -1.647 -4.371 -1.819) 5.013 3.096 ( -0.119 0.067 -0.151) 0.204 3.121 ( 0.470 -0.819 -0.773) 1.220 3.217 ( -2.824 0.349 -0.121) 2.848 3.320 ( -1.547 -0.947 -4.163) 4.541 3.396 ( 3.043 0.336 1.235) 3.302 3.510 ( 2.793 1.202 3.342) 4.519 3.550 ( -3.290 1.485 0.720) 3.681 3.621 ( 1.198 0.971 1.025) 1.852 3.744 ( -2.733 -2.379 0.117) 3.626 3.823 ( -1.418 0.589 2.348) 2.805 3.852 ( 3.672 -1.306 1.570) 4.202 3.960 ( -1.056 3.869 -2.792) 4.887 4.158 ( 8.053 -2.152 1.651) 8.497 4.217 ( -4.795 2.912 -1.818) 5.897 4.231 ( 0.142 0.499 1.736) 1.812 4.282 ( -1.637 3.122 1.525) 3.841 4.366 ( 3.363 1.430 0.966) 3.780 4.429 ( -3.489 2.035 -2.597) 4.802 4.459 ( 2.121 3.171 -1.876) 4.251 4.563 ( -1.017 3.078 -1.420) 3.539 4.698 ( 1.067 -1.245 2.677) 3.139 4.738 ( -0.116 -0.149 -0.124) 0.226 4.764 ( -3.779 0.755 -1.696) 4.210 4.879 ( 0.693 -3.312 -0.012) 3.384 4.895 ( 1.070 -3.132 0.407) 3.335 4.966 ( 2.354 -3.242 0.661) 4.060 5.039 ( -0.985 -3.717 -0.560) 3.886 5.082 ( -0.747 -2.245 -0.848) 2.514 5.117 ( 0.085 -1.950 0.654) 2.058 5.136 ( -0.060 -4.817 0.829) 4.888 ======================= Grid point 172 (85/105) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -6.231 6.852 2.149) 9.508 0.909 ( 0.324 7.530 3.000) 8.112 0.989 ( 3.369 7.641 -1.727) 8.528 1.061 ( 5.481 5.753 2.357) 8.288 1.102 ( -2.896 0.713 2.866) 4.136 1.320 ( 1.544 6.249 -0.392) 6.449 1.328 ( -0.743 5.838 -3.174) 6.686 1.381 ( 1.528 5.389 -2.672) 6.206 1.709 ( -1.998 -6.721 2.729) 7.524 1.793 ( 0.400 -5.749 -1.599) 5.980 1.979 ( 0.110 4.635 2.905) 5.471 2.006 ( 2.013 3.806 0.717) 4.365 2.195 ( 1.110 6.536 0.079) 6.630 2.257 ( -1.777 5.717 -0.796) 6.039 2.309 ( -0.673 4.373 -0.745) 4.487 2.412 ( -1.307 5.643 -0.847) 5.854 2.789 ( 3.394 0.508 -0.872) 3.541 2.867 ( 1.889 0.888 0.179) 2.095 3.068 ( -1.228 1.575 -1.557) 2.533 3.114 ( 0.277 -2.177 -0.497) 2.250 3.197 ( 0.107 -0.175 0.485) 0.526 3.268 ( -0.002 -1.240 -2.972) 3.220 3.422 ( -1.478 0.306 -2.400) 2.836 3.515 ( 0.902 0.208 2.870) 3.016 3.562 ( -7.080 -2.215 -1.889) 7.655 3.625 ( -0.126 -2.802 0.932) 2.956 3.689 ( 0.937 2.652 3.114) 4.196 3.856 ( 4.037 3.290 0.745) 5.261 3.877 ( -0.916 -0.109 0.067) 0.925 4.041 ( 5.239 3.844 0.985) 6.572 4.098 ( -4.298 1.766 0.542) 4.678 4.176 ( -2.362 -1.227 0.877) 2.802 4.280 ( -0.874 2.458 0.318) 2.628 4.309 ( 4.933 0.974 0.738) 5.082 4.385 ( -1.064 0.956 0.163) 1.440 4.434 ( 1.310 2.974 1.732) 3.682 4.487 ( -0.335 3.941 -4.139) 5.725 4.526 ( 2.424 1.329 0.766) 2.869 4.632 ( -5.032 -0.110 -2.692) 5.708 4.732 ( -0.412 -1.281 1.128) 1.756 4.768 ( 1.036 -0.456 0.899) 1.445 4.896 ( 0.550 -3.850 1.904) 4.330 4.914 ( 0.465 0.738 -1.654) 1.870 4.994 ( 0.721 -3.053 -0.457) 3.170 5.028 ( 0.465 -3.863 -0.084) 3.892 5.060 ( -0.789 -1.452 -0.678) 1.786 5.123 ( 0.066 -2.999 0.627) 3.064 5.138 ( -0.351 -4.878 0.482) 4.914 ======================= Grid point 173 (86/105) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 1.213 6.707 6.542) 9.447 0.906 ( -1.463 7.348 -2.161) 7.797 0.996 ( -3.815 3.322 2.600) 5.688 1.045 ( 0.796 6.694 -2.501) 7.190 1.157 ( -0.346 4.490 5.794) 7.338 1.276 ( 0.579 5.274 -5.193) 7.424 1.341 ( -0.551 4.429 0.893) 4.552 1.376 ( 0.747 4.966 -2.859) 5.779 1.714 ( -0.847 -6.357 3.692) 7.400 1.763 ( -1.070 -5.232 -1.607) 5.576 2.011 ( -0.756 4.419 3.153) 5.481 2.042 ( 0.481 3.953 0.356) 3.998 2.215 ( 1.316 5.891 0.431) 6.051 2.227 ( -0.150 5.432 -1.251) 5.576 2.347 ( 4.604 4.497 -1.368) 6.580 2.350 ( -2.887 5.071 -1.643) 6.062 2.842 ( -1.075 2.439 0.804) 2.784 2.873 ( 2.178 4.164 -2.009) 5.111 3.080 ( 1.950 -0.341 1.521) 2.496 3.125 ( 0.368 -1.946 -2.396) 3.109 3.211 ( 1.244 -2.141 1.187) 2.746 3.256 ( 0.216 -1.719 -2.282) 2.865 3.356 ( -1.412 -1.252 -0.943) 2.110 3.361 ( -5.189 -2.364 -2.373) 6.176 3.589 ( 1.784 0.736 2.995) 3.563 3.614 ( -2.137 0.050 0.492) 2.193 3.787 ( 3.609 1.752 4.488) 6.020 3.850 ( -2.229 1.104 -0.621) 2.563 3.932 ( -7.438 3.808 -1.300) 8.457 3.945 ( 4.815 3.211 -0.645) 5.824 4.194 ( 2.159 -0.910 4.478) 5.054 4.217 ( 3.673 1.532 1.058) 4.118 4.256 ( -1.577 4.076 0.879) 4.458 4.313 ( -3.010 -0.360 -3.512) 4.639 4.399 ( 2.916 1.211 1.425) 3.464 4.433 ( -1.498 3.000 -2.023) 3.916 4.463 ( 0.455 1.043 0.737) 1.356 4.501 ( -1.448 2.280 -2.963) 4.009 4.648 ( 4.445 -0.671 1.655) 4.790 4.681 ( -3.539 -1.098 -1.761) 4.102 4.818 ( 1.428 0.207 2.766) 3.120 4.876 ( -1.258 0.639 -3.292) 3.582 4.935 ( 0.376 -1.986 3.383) 3.941 4.992 ( -0.131 -1.970 -2.512) 3.195 5.036 ( -1.110 -3.610 0.336) 3.791 5.040 ( 0.947 -3.701 -0.243) 3.828 5.134 ( -0.159 -3.699 0.388) 3.722 5.136 ( 0.242 -4.149 0.247) 4.164 ======================= Grid point 174 (87/105) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -2.132 5.487 1.768) 6.147 0.871 ( -1.352 8.523 3.497) 9.311 0.964 ( -1.055 7.037 -1.074) 7.196 1.086 ( -1.544 1.006 0.995) 2.095 1.173 ( 1.000 8.485 0.401) 8.553 1.246 ( -0.502 -0.065 0.921) 1.051 1.317 ( -2.226 5.421 0.061) 5.861 1.362 ( 0.252 9.291 -0.869) 9.335 1.731 ( -1.922 -6.408 3.692) 7.641 1.744 ( 0.216 -5.542 -0.206) 5.550 2.003 ( -1.920 5.075 1.001) 5.518 2.027 ( -1.093 4.108 -1.118) 4.395 2.214 ( -0.049 5.742 -2.109) 6.117 2.251 ( 1.895 6.825 -0.355) 7.092 2.313 ( 1.448 3.458 -0.189) 3.754 2.416 ( 3.469 5.692 -1.951) 6.945 2.785 ( -3.070 1.009 -0.580) 3.283 2.880 ( -1.696 1.498 -1.246) 2.583 3.064 ( 0.863 0.678 -1.435) 1.807 3.139 ( 1.178 -2.073 -3.023) 3.850 3.196 ( 1.086 -1.450 1.363) 2.267 3.245 ( -1.283 -0.371 -1.057) 1.703 3.359 ( 1.695 -1.266 4.091) 4.606 3.481 ( 8.814 -3.442 4.977) 10.691 3.554 ( -2.939 0.642 -1.169) 3.227 3.633 ( -0.309 -0.972 1.532) 1.840 3.748 ( -4.215 2.975 -3.383) 6.169 3.836 ( -3.673 3.188 1.886) 5.216 3.854 ( -1.030 0.542 3.190) 3.396 4.039 ( 1.793 4.979 0.482) 5.314 4.141 ( -2.330 0.815 -3.166) 4.015 4.206 ( -1.223 -1.892 -1.074) 2.496 4.273 ( 1.737 2.501 0.904) 3.177 4.324 ( -2.293 2.563 -0.528) 3.480 4.396 ( 2.305 0.523 -0.929) 2.540 4.421 ( 0.310 3.636 1.956) 4.141 4.469 ( 0.305 4.814 -1.958) 5.206 4.548 ( 0.710 -2.585 -0.162) 2.686 4.591 ( 0.414 0.757 0.227) 0.892 4.733 ( 2.544 -1.465 0.466) 2.972 4.809 ( -1.888 -0.039 -2.632) 3.239 4.869 ( 0.447 0.838 2.143) 2.344 4.933 ( -1.402 -3.593 -0.713) 3.922 4.982 ( 0.205 -1.095 0.397) 1.183 5.019 ( -0.624 -3.800 0.368) 3.868 5.059 ( 0.672 -2.801 -0.194) 2.887 5.129 ( -0.141 -4.825 0.094) 4.828 5.144 ( 0.259 -3.773 -0.124) 3.784 ======================= Grid point 175 (88/105) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -8.595 7.767 2.720) 11.899 0.847 ( -8.816 9.102 5.466) 13.801 0.946 ( 6.085 4.770 -0.044) 7.732 1.030 ( 1.245 6.235 -2.690) 6.904 1.158 ( -1.839 2.510 -5.012) 5.900 1.260 ( -1.612 7.291 5.735) 9.415 1.314 ( 0.582 5.736 0.030) 5.765 1.372 ( 0.828 8.471 0.710) 8.541 1.716 ( -4.015 -6.962 4.395) 9.160 1.751 ( 1.267 -5.642 -0.495) 5.804 1.972 ( -1.428 4.947 -0.576) 5.181 2.007 ( 0.376 4.827 -1.106) 4.966 2.181 ( -1.128 7.092 -1.768) 7.395 2.301 ( 2.802 6.574 0.636) 7.174 2.352 ( 2.307 4.396 -1.352) 5.145 2.424 ( -0.210 5.254 -1.976) 5.617 2.746 ( -0.992 -0.385 -0.903) 1.395 2.837 ( 0.100 -3.263 0.576) 3.314 3.105 ( 2.406 0.360 -1.027) 2.640 3.133 ( 1.707 -1.339 -2.221) 3.105 3.230 ( 1.550 0.875 -1.008) 2.045 3.245 ( 1.119 -2.295 3.250) 4.133 3.402 ( -0.904 0.978 0.873) 1.592 3.530 ( 0.582 0.778 1.574) 1.850 3.565 ( -5.418 -0.528 -1.838) 5.746 3.632 ( -0.318 -1.397 1.029) 1.764 3.704 ( 1.602 -0.039 2.896) 3.309 3.814 ( -2.036 1.193 3.004) 3.820 3.868 ( 1.856 -0.413 0.528) 1.973 3.937 ( -4.914 5.765 -0.546) 7.595 4.182 ( -3.446 -0.418 -0.662) 3.533 4.200 ( 2.496 0.585 -0.127) 2.567 4.260 ( 1.784 1.171 -1.713) 2.737 4.314 ( 1.884 2.325 0.001) 2.992 4.397 ( -2.322 2.209 -0.787) 3.300 4.401 ( -1.560 2.186 -1.309) 2.988 4.449 ( -1.110 3.466 -2.150) 4.227 4.535 ( 2.333 2.558 1.667) 3.843 4.707 ( 4.630 -0.663 2.669) 5.385 4.750 ( -0.530 -0.414 -0.019) 0.673 4.753 ( -0.356 -1.452 -2.938) 3.296 4.870 ( -1.178 -1.597 0.655) 2.090 4.914 ( -0.471 -3.845 -1.057) 4.016 4.973 ( -1.490 -1.903 -0.161) 2.423 5.028 ( 1.054 -3.903 0.646) 4.094 5.066 ( 0.418 -2.001 0.585) 2.127 5.129 ( 0.085 -2.662 -0.430) 2.698 5.147 ( 0.140 -5.507 -0.198) 5.513 ======================= Grid point 176 (89/105) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -5.625 12.934 3.082) 14.437 0.813 ( -6.242 9.069 11.128) 15.653 0.998 ( 1.316 9.421 -2.748) 9.901 1.054 ( -2.576 5.178 -6.903) 9.005 1.098 ( 2.914 3.463 1.803) 4.872 1.277 ( -1.336 -0.319 -0.190) 1.387 1.313 ( 1.490 11.997 0.201) 12.091 1.389 ( -0.708 8.336 1.648) 8.527 1.690 ( -2.912 -7.004 4.479) 8.809 1.778 ( 1.690 -6.828 -0.740) 7.073 1.950 ( -0.072 5.794 -0.351) 5.805 2.004 ( -0.050 6.383 -0.861) 6.441 2.150 ( -1.222 7.486 1.071) 7.660 2.334 ( 0.155 5.009 -0.059) 5.012 2.344 ( -0.950 5.566 -3.401) 6.592 2.399 ( 0.518 4.023 -2.964) 5.023 2.752 ( 3.288 1.800 0.626) 3.800 2.895 ( 2.829 -4.635 1.339) 5.593 3.112 ( 0.114 -0.738 -1.840) 1.985 3.127 ( -0.193 -1.711 -2.935) 3.403 3.266 ( 1.482 0.118 -0.045) 1.488 3.297 ( -1.335 -2.397 1.321) 3.045 3.368 ( 0.588 0.173 1.233) 1.377 3.477 ( -1.559 -0.486 -0.331) 1.666 3.560 ( -0.850 1.362 4.265) 4.557 3.601 ( -0.059 2.848 -0.244) 2.859 3.733 ( -1.128 -1.010 3.440) 3.758 3.807 ( -1.779 1.229 0.422) 2.203 3.876 ( -1.829 2.783 -0.942) 3.460 3.982 ( 4.855 0.026 0.983) 4.953 4.036 ( -5.678 -1.547 -1.172) 6.001 4.196 ( -3.946 3.504 -2.839) 5.993 4.274 ( 2.284 1.574 0.583) 2.834 4.318 ( 0.032 0.920 -1.679) 1.915 4.348 ( -0.079 3.727 0.528) 3.765 4.423 ( 0.676 2.520 -1.317) 2.923 4.481 ( 2.511 1.248 1.871) 3.370 4.583 ( 3.458 -0.177 1.776) 3.891 4.654 ( -4.658 0.910 -2.223) 5.241 4.770 ( 2.226 -0.933 -0.560) 2.478 4.823 ( 2.785 0.575 0.836) 2.964 4.852 ( -1.024 -2.316 -0.032) 2.533 4.902 ( 0.354 -5.691 -0.383) 5.715 4.923 ( -2.361 -3.050 -0.776) 3.934 5.054 ( 0.808 -3.201 -0.047) 3.302 5.088 ( 0.802 -3.198 1.080) 3.469 5.120 ( -0.483 -2.076 -0.810) 2.280 5.136 ( -0.840 -4.790 -0.731) 4.918 ======================= Grid point 177 (90/105) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 2.451 11.036 6.153) 12.871 0.979 ( -3.603 6.992 6.702) 10.333 1.060 ( -2.748 8.246 -2.220) 8.971 1.154 ( 3.507 6.128 -6.306) 9.466 1.170 ( -1.210 1.072 1.461) 2.179 1.208 ( -0.527 -1.576 -1.931) 2.548 1.469 ( 0.669 -7.841 3.256) 8.516 1.506 ( -2.103 -4.659 -0.792) 5.172 1.704 ( 0.174 11.317 1.052) 11.367 1.719 ( 0.175 10.291 -0.381) 10.299 2.035 ( 0.118 -0.762 1.812) 1.969 2.066 ( -0.428 0.234 -1.513) 1.590 2.283 ( 0.080 4.502 2.802) 5.304 2.339 ( -0.532 1.345 -2.471) 2.863 2.429 ( 0.628 4.976 -0.956) 5.106 2.471 ( 1.708 3.267 -4.306) 5.669 2.887 ( 2.207 0.820 1.788) 2.956 2.898 ( -0.717 0.109 0.452) 0.855 3.054 ( -1.058 -0.595 -0.550) 1.333 3.062 ( -0.758 -0.597 -1.203) 1.543 3.229 ( -0.420 -0.527 0.322) 0.747 3.249 ( 0.537 -0.985 -1.537) 1.903 3.464 ( 2.723 0.669 3.716) 4.655 3.492 ( 0.948 -0.490 0.820) 1.346 3.600 ( -2.237 1.237 3.111) 4.026 3.645 ( 0.003 1.001 -0.144) 1.012 3.722 ( -0.890 -1.276 3.342) 3.687 3.793 ( -0.207 -2.231 -2.260) 3.183 3.882 ( -5.447 3.501 -0.642) 6.507 3.909 ( 1.864 3.639 -2.414) 4.748 4.081 ( 3.558 -0.679 1.182) 3.810 4.125 ( -3.175 -1.555 -3.439) 4.932 4.365 ( -0.680 3.772 1.138) 3.998 4.384 ( 1.201 4.886 -0.438) 5.050 4.432 ( 0.123 1.709 0.949) 1.958 4.456 ( 1.151 1.752 -1.420) 2.531 4.530 ( 2.326 -0.063 2.755) 3.606 4.583 ( -2.510 0.889 -2.972) 3.991 4.663 ( 4.428 -3.416 2.551) 6.147 4.713 ( -3.587 -3.664 -2.695) 5.792 4.787 ( -1.089 -1.887 0.582) 2.255 4.797 ( 2.044 -1.336 -0.401) 2.475 4.854 ( 0.125 -1.125 -0.023) 1.132 4.861 ( -0.979 -0.818 -0.634) 1.425 5.011 ( 1.425 -3.381 0.705) 3.737 5.022 ( -1.257 -3.394 -0.357) 3.636 5.042 ( -0.353 -2.056 0.763) 2.222 5.058 ( 0.149 -2.637 -0.905) 2.792 ======================= Grid point 178 (91/105) ======================= q-point: ( 0.12 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -1.410 9.340 -1.042) 9.503 1.022 ( -2.592 9.110 6.047) 11.237 1.048 ( 1.422 4.622 2.739) 5.558 1.147 ( 1.660 4.438 -4.158) 6.304 1.171 ( -1.327 -0.074 -2.412) 2.754 1.220 ( 3.678 2.639 2.693) 5.267 1.456 ( -1.489 -2.987 0.707) 3.412 1.531 ( 1.329 -7.987 2.138) 8.375 1.695 ( -1.477 12.617 -0.520) 12.714 1.719 ( 0.326 7.426 -0.132) 7.435 2.033 ( -1.366 -0.548 -0.439) 1.536 2.042 ( -1.182 -0.338 1.072) 1.631 2.308 ( 0.753 4.665 0.376) 4.740 2.372 ( 4.179 1.909 0.657) 4.641 2.427 ( -0.431 5.102 -1.236) 5.267 2.465 ( 2.074 2.674 -3.297) 4.725 2.807 ( -5.554 1.212 -0.850) 5.748 2.851 ( -3.948 -2.087 -0.981) 4.572 3.081 ( 1.351 0.244 0.989) 1.692 3.089 ( 1.925 -0.490 0.304) 2.009 3.257 ( 1.372 0.321 0.806) 1.623 3.285 ( 4.308 -0.894 -0.980) 4.507 3.433 ( -3.634 1.030 -2.568) 4.568 3.472 ( -1.623 -0.588 -1.172) 2.087 3.607 ( -0.689 2.216 4.410) 4.983 3.653 ( 1.574 1.253 -1.135) 2.310 3.761 ( -1.482 -0.926 -2.088) 2.723 3.768 ( -0.559 -2.366 4.410) 5.036 3.836 ( -0.705 3.334 3.118) 4.619 3.977 ( 2.367 -3.316 0.085) 4.075 4.030 ( 1.424 3.551 0.115) 3.828 4.183 ( 2.804 -1.951 0.836) 3.517 4.338 ( 0.251 4.907 0.466) 4.935 4.378 ( -2.632 3.215 -0.792) 4.230 4.433 ( -1.354 4.751 -1.280) 5.103 4.502 ( 4.798 1.528 -1.804) 5.349 4.521 ( -1.114 0.292 -2.061) 2.361 4.583 ( -3.187 -2.158 -1.151) 4.017 4.624 ( 2.039 0.119 0.970) 2.262 4.723 ( -0.500 -3.718 0.919) 3.863 4.782 ( 0.590 -2.768 0.547) 2.882 4.817 ( 0.934 -3.571 -1.125) 3.859 4.858 ( 1.615 0.433 0.933) 1.915 4.871 ( -0.635 1.151 -0.376) 1.368 4.987 ( -0.913 -3.000 -0.372) 3.158 5.021 ( -0.657 -4.621 0.877) 4.750 5.053 ( -0.030 -2.241 -0.483) 2.293 5.060 ( 0.845 -2.705 0.431) 2.866 ======================= Grid point 179 (92/105) ======================= q-point: ( 0.25 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 2.133 6.810 2.315) 7.502 1.011 ( -2.733 4.254 1.036) 5.162 1.061 ( -1.601 3.651 1.047) 4.122 1.124 ( -1.950 3.056 2.331) 4.310 1.159 ( 3.605 6.036 -3.647) 7.920 1.312 ( 3.603 1.761 -0.131) 4.012 1.454 ( -0.347 -0.764 1.440) 1.666 1.549 ( -0.556 -6.164 -0.225) 6.193 1.659 ( -1.692 9.733 0.431) 9.889 1.730 ( 1.221 6.537 -0.594) 6.676 2.010 ( -1.711 -1.829 1.493) 2.916 2.034 ( -0.104 0.801 0.863) 1.182 2.322 ( 0.335 6.354 -0.955) 6.434 2.395 ( -2.040 4.273 0.600) 4.772 2.437 ( -1.749 1.964 -3.130) 4.088 2.459 ( 2.833 0.949 0.807) 3.095 2.752 ( 0.853 0.281 -0.813) 1.212 2.797 ( 0.817 -2.044 -1.119) 2.470 3.095 ( -0.123 0.185 0.165) 0.276 3.114 ( 0.644 -0.371 -0.119) 0.753 3.239 ( -1.901 1.832 -0.796) 2.757 3.306 ( -0.723 -0.758 -4.328) 4.453 3.418 ( 2.975 1.781 2.203) 4.108 3.500 ( 2.737 -1.529 2.847) 4.235 3.602 ( -4.680 2.616 -1.371) 5.534 3.637 ( -1.732 0.444 -1.009) 2.053 3.715 ( -1.308 -0.050 0.997) 1.646 3.799 ( 0.463 -2.861 3.350) 4.429 3.871 ( 2.716 3.338 1.301) 4.496 3.998 ( 2.156 -0.794 -0.352) 2.325 4.127 ( 4.262 -0.154 1.874) 4.659 4.191 ( -2.387 -1.602 0.655) 2.949 4.313 ( -3.084 4.071 0.980) 5.201 4.381 ( -0.952 5.533 -0.819) 5.674 4.408 ( 2.633 2.118 1.149) 3.570 4.448 ( -1.878 0.702 -1.928) 2.781 4.526 ( 1.201 2.871 -2.493) 3.988 4.583 ( 2.124 -1.597 -0.756) 2.763 4.680 ( 0.033 -0.295 0.776) 0.831 4.714 ( 0.087 -2.392 0.819) 2.530 4.783 ( -2.710 1.079 -2.677) 3.959 4.816 ( 0.977 -1.195 0.915) 1.794 4.848 ( 0.838 -1.795 -0.771) 2.126 4.904 ( 2.147 -3.597 1.803) 4.561 4.972 ( -0.372 -1.836 -0.201) 1.885 5.035 ( -0.445 -4.490 -0.007) 4.512 5.041 ( 0.468 -2.062 -0.437) 2.159 5.072 ( 0.070 -2.498 0.464) 2.542 ======================= Grid point 180 (93/105) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -3.602 5.469 1.566) 6.734 1.044 ( 0.385 5.793 1.792) 6.076 1.060 ( 0.564 -1.262 0.712) 1.555 1.109 ( -1.201 3.663 0.484) 3.885 1.206 ( 2.786 6.160 -0.093) 6.761 1.343 ( 2.157 1.236 -3.872) 4.601 1.457 ( -1.512 1.269 2.523) 3.204 1.523 ( -0.193 -3.623 -2.079) 4.182 1.648 ( -1.107 7.274 2.214) 7.683 1.739 ( 0.312 4.591 -1.562) 4.859 2.011 ( -0.507 -1.320 3.405) 3.687 2.057 ( 0.947 0.292 1.354) 1.678 2.307 ( 0.288 4.181 -1.482) 4.445 2.357 ( -0.885 0.883 -2.078) 2.425 2.374 ( -2.005 5.786 0.866) 6.185 2.483 ( -1.311 1.339 -0.346) 1.905 2.805 ( 4.970 1.185 0.372) 5.122 2.868 ( 5.282 -0.971 1.095) 5.481 3.086 ( -0.628 0.528 -0.274) 0.865 3.106 ( -0.346 0.264 -2.055) 2.100 3.205 ( -1.447 1.350 -0.694) 2.097 3.256 ( -0.400 -0.373 -2.724) 2.779 3.430 ( -3.836 0.806 -4.403) 5.895 3.502 ( -8.258 -2.919 -4.729) 9.954 3.529 ( 1.439 1.026 3.587) 3.998 3.588 ( 1.746 -1.581 2.899) 3.736 3.756 ( 2.108 3.389 3.943) 5.611 3.841 ( 0.865 -1.750 2.714) 3.343 3.949 ( 4.171 4.470 -0.423) 6.129 4.073 ( 4.317 -0.599 1.170) 4.513 4.139 ( -4.158 1.952 0.764) 4.657 4.160 ( -0.185 -0.100 1.332) 1.349 4.337 ( 3.197 2.410 1.801) 4.391 4.353 ( -0.411 4.006 -0.429) 4.049 4.398 ( -2.786 0.259 0.958) 2.958 4.476 ( 0.746 0.508 1.279) 1.565 4.505 ( -0.871 -0.342 -2.800) 2.952 4.576 ( -0.131 0.533 -3.412) 3.456 4.651 ( -2.295 2.227 -1.103) 3.382 4.713 ( -0.032 0.918 -0.359) 0.987 4.750 ( 0.632 -1.406 1.251) 1.986 4.836 ( 1.974 -1.908 0.563) 2.802 4.896 ( 1.843 -3.161 1.718) 4.042 4.944 ( 0.279 -2.112 -0.616) 2.218 4.964 ( -0.220 -1.224 -0.291) 1.278 5.028 ( -0.746 -1.741 -1.472) 2.398 5.033 ( 0.810 -4.093 0.137) 4.175 5.074 ( -0.442 -2.684 0.257) 2.732 ======================= Grid point 181 (94/105) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.742 4.923 4.310) 6.585 1.005 ( -2.327 1.929 -3.469) 4.601 1.058 ( -2.795 3.644 4.034) 6.112 1.116 ( 1.475 1.424 -1.001) 2.282 1.244 ( 0.070 4.507 2.203) 5.017 1.326 ( 0.873 2.683 -5.072) 5.804 1.455 ( -1.934 1.268 3.466) 4.167 1.510 ( 0.758 -1.420 -2.044) 2.602 1.662 ( -0.090 6.498 3.104) 7.202 1.711 ( -0.894 4.007 -2.037) 4.583 2.043 ( -0.343 -1.510 3.395) 3.731 2.075 ( 0.095 -1.138 0.133) 1.150 2.322 ( 2.412 4.573 0.177) 5.173 2.332 ( -1.723 5.141 -0.660) 5.462 2.401 ( 4.683 1.036 -0.589) 4.832 2.420 ( -2.658 1.658 -2.739) 4.161 2.896 ( 0.293 2.884 2.984) 4.160 2.947 ( 1.505 2.427 -1.322) 3.147 3.078 ( -0.121 -0.009 0.098) 0.156 3.096 ( 2.213 -0.869 -1.391) 2.754 3.173 ( 0.327 -1.226 -0.637) 1.420 3.213 ( -1.859 -2.489 -3.697) 4.829 3.328 ( -4.041 -0.560 -0.637) 4.129 3.341 ( -0.872 -0.551 -1.335) 1.687 3.603 ( 0.863 0.677 2.465) 2.698 3.619 ( 0.015 0.208 0.863) 0.888 3.832 ( 1.354 2.263 3.533) 4.409 3.865 ( -0.869 0.374 0.612) 1.127 4.018 ( -6.702 4.798 -0.765) 8.278 4.023 ( 4.867 4.244 -0.514) 6.479 4.160 ( 2.694 -2.246 3.930) 5.267 4.206 ( -0.631 -2.720 -0.729) 2.886 4.326 ( -3.655 2.968 1.891) 5.074 4.355 ( 1.917 4.959 -0.445) 5.335 4.409 ( 2.534 -0.289 0.565) 2.613 4.444 ( -0.993 0.485 -3.266) 3.448 4.500 ( -0.407 0.263 1.776) 1.841 4.551 ( 0.790 -0.155 -3.477) 3.569 4.642 ( 1.180 0.871 0.668) 1.612 4.668 ( -1.718 0.638 -1.996) 2.709 4.816 ( 2.071 -0.252 3.579) 4.142 4.877 ( -0.299 -0.937 -2.105) 2.323 4.914 ( -0.804 0.295 0.875) 1.224 4.922 ( 0.781 -4.217 0.464) 4.313 4.963 ( -0.757 -2.987 0.345) 3.101 4.990 ( -0.407 -1.039 -2.223) 2.488 5.055 ( -0.266 -3.777 0.788) 3.867 5.067 ( 0.395 -3.239 -0.411) 3.289 ======================= Grid point 182 (95/105) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -1.456 4.535 1.686) 5.053 1.015 ( 1.657 5.310 2.548) 6.119 1.047 ( -1.179 1.461 2.500) 3.126 1.110 ( -1.692 1.935 -1.797) 3.136 1.259 ( -1.648 2.497 4.459) 5.370 1.281 ( 0.266 4.313 -5.462) 6.965 1.459 ( -0.682 0.940 3.725) 3.901 1.501 ( -0.332 -2.283 -1.340) 2.668 1.681 ( -0.523 5.138 -0.995) 5.260 1.698 ( 0.386 6.695 2.551) 7.175 2.046 ( -1.081 -0.931 0.570) 1.537 2.073 ( -0.284 -0.363 -0.531) 0.703 2.303 ( -0.011 3.419 -0.995) 3.560 2.346 ( -0.302 1.744 -1.319) 2.208 2.394 ( 3.875 5.370 -0.709) 6.660 2.490 ( 4.403 1.480 -1.582) 4.907 2.823 ( -6.200 2.614 -0.868) 6.784 2.897 ( -5.187 -0.033 -1.850) 5.507 3.084 ( 1.902 1.027 -0.416) 2.201 3.113 ( 1.428 -0.722 -3.008) 3.407 3.175 ( 1.217 -0.240 1.916) 2.283 3.232 ( 0.584 -1.478 0.287) 1.615 3.343 ( 2.992 0.210 4.680) 5.558 3.415 ( 6.939 -2.938 4.094) 8.576 3.577 ( -2.650 1.405 -1.304) 3.271 3.616 ( -1.883 -0.715 -0.161) 2.021 3.810 ( -3.378 2.831 -1.920) 4.808 3.854 ( -1.243 -0.197 1.246) 1.771 3.926 ( -4.060 5.265 2.007) 6.945 4.097 ( -2.952 -1.479 -1.355) 3.569 4.141 ( 3.036 1.270 0.232) 3.299 4.185 ( -1.625 -0.113 -0.206) 1.642 4.332 ( 0.484 3.525 1.836) 4.004 4.376 ( -1.480 3.247 -2.435) 4.320 4.426 ( 3.359 1.838 -1.547) 4.130 4.473 ( 2.293 0.241 0.618) 2.387 4.510 ( 0.237 -0.902 0.969) 1.345 4.529 ( 0.491 0.051 -1.948) 2.009 4.626 ( 0.334 3.295 0.839) 3.416 4.699 ( 2.094 -1.348 0.774) 2.608 4.803 ( -2.736 -0.660 -3.640) 4.601 4.836 ( -2.646 -3.055 0.529) 4.076 4.920 ( 1.895 0.870 1.993) 2.884 4.931 ( -1.144 -2.638 -1.450) 3.221 4.961 ( -1.547 -2.852 -0.774) 3.335 4.990 ( 1.809 -2.445 2.251) 3.784 5.042 ( -0.974 -3.004 -0.199) 3.164 5.075 ( 0.530 -3.707 -0.122) 3.746 ======================= Grid point 183 (96/105) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -3.164 6.084 5.869) 9.026 0.995 ( -4.076 6.374 -1.074) 7.642 1.045 ( -0.643 4.628 2.516) 5.307 1.095 ( 2.834 1.775 -0.157) 3.348 1.236 ( 0.764 4.408 -5.804) 7.328 1.275 ( -1.240 1.142 3.682) 4.050 1.465 ( -2.593 -5.280 0.501) 5.904 1.509 ( 1.495 -0.264 3.037) 3.395 1.668 ( -0.068 6.302 -0.130) 6.303 1.715 ( -0.327 9.271 0.917) 9.322 2.028 ( -0.853 -0.442 -0.335) 1.017 2.060 ( 0.594 0.512 -1.458) 1.655 2.304 ( 0.348 4.922 -0.073) 4.934 2.387 ( 2.788 1.137 1.660) 3.438 2.442 ( 2.989 4.990 -3.085) 6.584 2.504 ( -0.755 2.454 -3.232) 4.128 2.737 ( -1.204 0.117 0.262) 1.237 2.795 ( -2.512 -1.612 -0.935) 3.127 3.112 ( 1.261 0.222 -1.814) 2.220 3.119 ( 1.445 -0.150 -0.795) 1.656 3.217 ( 0.775 -0.449 3.467) 3.580 3.239 ( 0.384 -0.216 0.998) 1.091 3.435 ( -0.766 2.224 0.773) 2.476 3.533 ( -3.705 -1.370 -0.481) 3.980 3.542 ( 1.152 -0.273 2.940) 3.170 3.597 ( 3.681 -1.854 3.502) 5.408 3.742 ( -1.664 2.827 -1.316) 3.535 3.828 ( -2.324 -1.194 0.179) 2.619 3.885 ( -0.535 3.416 0.125) 3.460 4.007 ( -3.123 0.428 -1.087) 3.335 4.158 ( -2.156 -0.367 -0.890) 2.361 4.199 ( 1.549 -0.464 0.134) 1.622 4.341 ( 1.643 5.287 -2.009) 5.889 4.364 ( 1.598 2.989 0.943) 3.518 4.430 ( 0.507 0.180 -0.666) 0.856 4.452 ( -3.461 3.044 -1.916) 4.992 4.501 ( -0.871 1.494 -1.168) 2.087 4.563 ( 0.669 -0.253 1.205) 1.401 4.704 ( 2.386 -1.907 -0.520) 3.098 4.716 ( 1.922 1.000 1.274) 2.514 4.744 ( -0.578 -0.749 -0.234) 0.975 4.804 ( -1.059 -2.647 1.029) 3.031 4.874 ( -2.229 -1.577 -2.389) 3.628 4.924 ( -1.334 -4.582 -0.202) 4.777 4.971 ( 0.524 0.296 0.284) 0.666 5.024 ( 0.086 -2.209 0.435) 2.253 5.029 ( 0.447 -4.654 0.971) 4.775 5.082 ( 0.108 -2.841 -0.340) 2.863 ======================= Grid point 184 (97/105) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.790 12.241 2.137) 12.735 0.977 ( -5.002 7.621 9.416) 13.106 1.086 ( 1.209 1.106 0.733) 1.795 1.137 ( 2.947 3.043 -2.334) 4.837 1.196 ( 0.840 5.007 -5.278) 7.324 1.260 ( -2.310 0.818 -0.968) 2.635 1.439 ( -1.175 -7.305 2.565) 7.831 1.541 ( -0.720 -2.564 0.896) 2.810 1.680 ( 0.797 8.208 1.060) 8.314 1.716 ( 0.150 11.534 0.001) 11.535 2.018 ( -0.122 -0.264 0.672) 0.732 2.069 ( 1.291 0.038 -1.177) 1.748 2.290 ( -2.250 6.134 1.179) 6.639 2.398 ( -2.758 1.140 -0.901) 3.117 2.440 ( 0.018 3.866 -2.915) 4.842 2.469 ( 2.504 2.588 -3.256) 4.855 2.781 ( 4.601 1.167 1.690) 5.038 2.828 ( 4.449 -2.101 1.238) 5.074 3.104 ( -0.984 -0.185 -1.434) 1.749 3.110 ( -0.918 -0.227 -1.915) 2.136 3.261 ( -0.957 -0.857 1.130) 1.711 3.267 ( -0.385 -0.349 1.419) 1.511 3.382 ( -0.223 1.241 1.470) 1.936 3.452 ( -2.058 -1.750 0.856) 2.834 3.603 ( -1.036 2.278 3.640) 4.417 3.644 ( -0.179 1.066 1.395) 1.765 3.725 ( -0.522 0.651 0.874) 1.208 3.810 ( -0.346 -1.525 0.075) 1.565 3.899 ( 2.114 1.048 -2.971) 3.793 3.982 ( 0.557 -2.002 -0.519) 2.142 4.062 ( -4.357 4.691 -2.753) 6.969 4.208 ( -1.264 -1.561 -1.233) 2.357 4.347 ( -2.386 4.801 -1.132) 5.479 4.376 ( 1.907 4.744 0.066) 5.113 4.413 ( 2.549 2.615 0.692) 3.717 4.460 ( -2.097 0.794 1.271) 2.577 4.493 ( 1.558 -0.104 1.734) 2.333 4.563 ( 1.552 -1.805 0.027) 2.381 4.662 ( -2.612 -0.604 -2.403) 3.600 4.736 ( 1.483 -4.176 -0.812) 4.505 4.791 ( -0.564 -0.852 1.504) 1.819 4.803 ( -0.551 -1.722 -1.036) 2.084 4.855 ( 1.843 0.516 1.136) 2.226 4.881 ( -1.997 -1.504 -1.439) 2.884 4.980 ( 0.857 -3.066 0.232) 3.192 5.028 ( -0.254 -3.827 0.338) 3.851 5.044 ( 0.259 -2.925 0.374) 2.961 5.072 ( -0.458 -2.604 -0.805) 2.764 ======================= Grid point 185 (98/105) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -1.479 -3.714 4.133) 5.750 1.089 ( -1.479 3.714 4.133) 5.750 1.126 ( 0.255 -6.782 0.353) 6.796 1.126 ( 0.255 6.782 0.353) 6.796 1.271 ( 0.772 -7.501 0.966) 7.602 1.271 ( 0.772 7.501 0.966) 7.602 1.332 ( -1.228 -8.141 -2.433) 8.585 1.332 ( -1.228 8.141 -2.433) 8.585 1.909 ( 0.471 -5.459 1.080) 5.585 1.909 ( 0.471 5.459 1.080) 5.585 1.986 ( -0.567 -5.589 -1.007) 5.708 1.986 ( -0.567 5.589 -1.007) 5.708 2.342 ( -0.357 -1.324 0.258) 1.396 2.342 ( -0.357 1.324 0.258) 1.396 2.491 ( 1.584 -1.185 -2.800) 3.428 2.491 ( 1.584 1.185 -2.800) 3.428 2.898 ( 0.583 -0.222 1.327) 1.467 2.898 ( 0.583 0.222 1.327) 1.467 3.053 ( -0.987 -0.326 -0.616) 1.208 3.053 ( -0.987 0.326 -0.616) 1.208 3.232 ( -0.093 -0.661 -0.220) 0.703 3.232 ( -0.093 0.661 -0.220) 0.703 3.479 ( 2.209 -0.784 2.300) 3.284 3.479 ( 2.209 0.784 2.300) 3.284 3.633 ( -2.530 -1.795 3.671) 4.806 3.633 ( -2.530 1.795 3.671) 4.806 3.738 ( 0.269 -2.575 -2.465) 3.575 3.738 ( 0.269 2.575 -2.465) 3.575 3.931 ( -0.860 -1.241 -0.632) 1.637 3.931 ( -0.860 1.241 -0.632) 1.637 4.097 ( -0.291 -1.640 -1.968) 2.578 4.097 ( -0.291 1.640 -1.968) 2.578 4.424 ( -0.845 -1.985 1.663) 2.724 4.424 ( -0.845 1.985 1.663) 2.724 4.458 ( 1.055 -1.967 -1.801) 2.869 4.458 ( 1.055 1.967 -1.801) 2.869 4.571 ( 2.224 -4.142 2.654) 5.399 4.571 ( 2.224 4.142 2.654) 5.399 4.629 ( -0.516 -3.556 -1.561) 3.917 4.629 ( -0.516 3.556 -1.561) 3.917 4.777 ( -0.547 -0.955 -1.372) 1.759 4.777 ( -0.547 0.955 -1.372) 1.759 4.858 ( -0.362 -1.000 0.507) 1.178 4.858 ( -0.362 1.000 0.507) 1.178 4.974 ( 0.348 -0.583 -0.041) 0.680 4.974 ( 0.348 0.583 -0.041) 0.680 5.026 ( -0.163 -0.411 -0.014) 0.442 5.026 ( -0.163 0.411 -0.014) 0.442 ======================= Grid point 187 (99/105) ======================= q-point: ( 0.12 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -3.223 -4.627 2.723) 6.262 1.078 ( -3.223 4.627 2.723) 6.262 1.121 ( -0.071 -0.594 -0.750) 0.959 1.121 ( -0.071 0.594 -0.750) 0.959 1.287 ( 1.223 -9.595 -0.383) 9.680 1.287 ( 1.223 9.595 -0.383) 9.680 1.354 ( 2.718 -8.195 1.492) 8.762 1.354 ( 2.718 8.195 1.492) 8.762 1.894 ( -1.934 -3.067 -1.103) 3.790 1.894 ( -1.934 3.067 -1.103) 3.790 1.972 ( -0.822 -2.949 1.407) 3.369 1.972 ( -0.822 2.949 1.407) 3.369 2.373 ( 2.654 -1.770 1.001) 3.344 2.373 ( 2.654 1.770 1.001) 3.344 2.486 ( 0.701 -0.775 -3.322) 3.482 2.486 ( 0.701 0.775 -3.322) 3.482 2.826 ( -5.353 -0.894 -0.610) 5.461 2.826 ( -5.353 0.894 -0.610) 5.461 3.084 ( 1.524 -0.148 0.875) 1.764 3.084 ( 1.524 0.148 0.875) 1.764 3.269 ( 3.272 -0.776 0.111) 3.364 3.269 ( 3.272 0.776 0.111) 3.364 3.454 ( -2.545 -1.064 -2.119) 3.479 3.454 ( -2.545 1.064 -2.119) 3.479 3.651 ( 0.088 -1.808 3.564) 3.998 3.651 ( 0.088 1.808 3.564) 3.998 3.745 ( 0.526 -0.682 -0.720) 1.123 3.745 ( 0.526 0.682 -0.720) 1.123 3.903 ( -1.048 -3.516 1.136) 3.841 3.903 ( -1.048 3.516 1.136) 3.841 4.118 ( 2.217 -4.314 0.810) 4.917 4.118 ( 2.217 4.314 0.810) 4.917 4.413 ( -1.330 -1.208 0.791) 1.963 4.413 ( -1.330 1.208 0.791) 1.963 4.485 ( 1.614 -1.142 -1.435) 2.443 4.485 ( 1.614 1.142 -1.435) 2.443 4.558 ( -0.945 -2.569 -3.175) 4.192 4.558 ( -0.945 2.569 -3.175) 4.192 4.638 ( 1.407 -2.773 0.494) 3.149 4.638 ( 1.407 2.773 0.494) 3.149 4.765 ( 0.141 -1.053 1.496) 1.835 4.765 ( 0.141 1.053 1.496) 1.835 4.888 ( 1.508 -1.006 -0.623) 1.917 4.888 ( 1.508 1.006 -0.623) 1.917 4.956 ( -1.284 -0.894 0.129) 1.570 4.956 ( -1.284 0.894 0.129) 1.570 5.028 ( 0.091 -0.107 0.190) 0.236 5.028 ( 0.091 0.107 0.190) 0.236 ======================= Grid point 189 (100/105) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -2.656 -1.612 1.367) 3.394 1.039 ( -2.656 1.612 1.367) 3.394 1.123 ( 0.351 -2.886 0.186) 2.914 1.123 ( 0.351 2.886 0.186) 2.914 1.319 ( 1.752 -9.223 0.657) 9.411 1.319 ( 1.752 9.223 0.657) 9.411 1.401 ( 1.409 -6.781 -0.539) 6.947 1.401 ( 1.409 6.781 -0.539) 6.947 1.843 ( -1.913 -4.501 -0.945) 4.981 1.843 ( -1.913 4.501 -0.945) 4.981 1.981 ( -0.346 -3.793 2.511) 4.562 1.981 ( -0.346 3.793 2.511) 4.562 2.415 ( -1.059 -2.847 -2.135) 3.713 2.415 ( -1.059 2.847 -2.135) 3.713 2.458 ( 0.500 -1.153 0.555) 1.374 2.458 ( 0.500 1.153 0.555) 1.374 2.766 ( 0.796 -1.182 -0.924) 1.699 2.766 ( 0.796 1.182 -0.924) 1.699 3.104 ( 0.119 -0.566 0.428) 0.720 3.104 ( 0.119 0.566 0.428) 0.720 3.280 ( -0.657 -1.926 -2.709) 3.388 3.280 ( -0.657 1.926 -2.709) 3.388 3.460 ( 2.729 -2.328 2.478) 4.360 3.460 ( 2.729 2.328 2.478) 4.360 3.635 ( -4.670 -0.760 -3.003) 5.603 3.635 ( -4.670 0.760 -3.003) 5.603 3.743 ( 0.682 -2.508 3.136) 4.073 3.743 ( 0.682 2.508 3.136) 4.073 3.945 ( 3.859 -3.721 1.187) 5.491 3.945 ( 3.859 3.721 1.187) 5.491 4.152 ( -0.250 -2.162 1.503) 2.645 4.152 ( -0.250 2.162 1.503) 2.645 4.387 ( -1.940 -3.008 1.235) 3.786 4.387 ( -1.940 3.008 1.235) 3.786 4.467 ( -0.269 -1.454 -1.923) 2.426 4.467 ( -0.269 1.454 -1.923) 2.426 4.551 ( 1.043 -0.274 -1.691) 2.006 4.551 ( 1.043 0.274 -1.691) 2.006 4.676 ( 2.104 -0.875 0.631) 2.364 4.676 ( 2.104 0.875 0.631) 2.364 4.805 ( 1.073 -1.498 0.897) 2.050 4.805 ( 1.073 1.498 0.897) 2.050 4.846 ( -1.556 -1.171 -1.874) 2.703 4.846 ( -1.556 1.171 -1.874) 2.703 4.968 ( 0.645 -1.461 0.698) 1.742 4.968 ( 0.645 1.461 0.698) 1.742 5.032 ( 0.226 -1.146 0.056) 1.170 5.032 ( 0.226 1.146 0.056) 1.170 ======================= Grid point 191 (101/105) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -1.614 -3.503 0.890) 3.959 1.011 ( -1.614 3.503 0.890) 3.959 1.126 ( -0.359 -2.106 0.053) 2.137 1.126 ( -0.359 2.106 0.053) 2.137 1.346 ( -0.158 -7.424 1.341) 7.546 1.346 ( -0.158 7.424 1.341) 7.546 1.414 ( 1.752 -4.656 -1.741) 5.270 1.414 ( 1.752 4.656 -1.741) 5.270 1.811 ( -1.019 -4.500 -0.013) 4.614 1.811 ( -1.019 4.500 -0.013) 4.614 2.004 ( -0.122 -3.704 2.398) 4.414 2.004 ( -0.122 3.704 2.398) 4.414 2.357 ( -0.347 -1.020 -2.008) 2.279 2.357 ( -0.347 1.020 -2.008) 2.279 2.465 ( -1.604 -2.997 0.389) 3.422 2.465 ( -1.604 2.997 0.389) 3.422 2.837 ( 5.551 -1.879 1.433) 6.033 2.837 ( 5.551 1.879 1.433) 6.033 3.100 ( -0.275 -0.683 -0.860) 1.132 3.100 ( -0.275 0.683 -0.860) 1.132 3.239 ( -1.170 -1.522 -2.435) 3.100 3.239 ( -1.170 1.522 -2.435) 3.100 3.456 ( -6.758 -1.806 -5.311) 8.783 3.456 ( -6.758 1.806 -5.311) 8.783 3.556 ( 2.162 -1.600 3.594) 4.489 3.556 ( 2.162 1.600 3.594) 4.489 3.807 ( 1.825 -1.859 3.784) 4.594 3.807 ( 1.825 1.859 3.784) 4.594 4.030 ( 3.743 -3.448 -0.124) 5.091 4.030 ( 3.743 3.448 -0.124) 5.091 4.162 ( -0.060 -0.292 1.608) 1.636 4.162 ( -0.060 0.292 1.608) 1.636 4.377 ( -1.771 -1.574 2.663) 3.564 4.377 ( -1.771 1.574 2.663) 3.564 4.441 ( -0.220 -3.628 -1.211) 3.832 4.441 ( -0.220 3.628 -1.211) 3.832 4.532 ( -0.830 -3.030 -2.393) 3.949 4.532 ( -0.830 3.030 -2.393) 3.949 4.704 ( -0.770 -2.713 -0.230) 2.829 4.704 ( -0.770 2.713 -0.230) 2.829 4.782 ( 1.664 -4.072 -0.706) 4.455 4.782 ( 1.664 4.072 -0.706) 4.455 4.881 ( 1.702 -2.439 0.968) 3.128 4.881 ( 1.702 2.439 0.968) 3.128 4.977 ( -0.053 -1.925 0.346) 1.956 4.977 ( -0.053 1.925 0.346) 1.956 5.028 ( -0.304 -1.745 -0.911) 1.992 5.028 ( -0.304 1.745 -0.911) 1.992 ======================= Grid point 193 (102/105) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.664 -2.059 1.005) 2.386 0.998 ( -0.664 2.059 1.005) 2.386 1.114 ( -0.613 -1.578 0.085) 1.695 1.114 ( -0.613 1.578 0.085) 1.695 1.349 ( -0.777 -5.054 1.461) 5.319 1.349 ( -0.777 5.054 1.461) 5.319 1.423 ( 0.341 -3.656 -1.122) 3.840 1.423 ( 0.341 3.656 -1.122) 3.840 1.803 ( 0.056 -2.311 0.118) 2.315 1.803 ( 0.056 2.311 0.118) 2.315 2.015 ( -0.527 -2.206 1.544) 2.744 2.015 ( -0.527 2.206 1.544) 2.744 2.387 ( 2.691 -1.660 0.413) 3.189 2.387 ( 2.691 1.660 0.413) 3.189 2.415 ( -1.292 -1.972 -2.246) 3.256 2.415 ( -1.292 1.972 -2.246) 3.256 2.948 ( 1.488 -1.979 2.782) 3.724 2.948 ( 1.488 1.979 2.782) 3.724 3.084 ( 0.783 -0.649 -1.856) 2.116 3.084 ( 0.783 0.649 -1.856) 2.116 3.172 ( -1.648 -1.195 -3.047) 3.664 3.172 ( -1.648 1.195 -3.047) 3.664 3.331 ( -2.154 -0.488 -0.570) 2.281 3.331 ( -2.154 0.488 -0.570) 2.281 3.616 ( 0.748 -0.530 1.485) 1.746 3.616 ( 0.748 0.530 1.485) 1.746 3.863 ( 0.197 -0.761 2.113) 2.255 3.863 ( 0.197 0.761 2.113) 2.255 4.087 ( 1.199 -1.076 0.455) 1.674 4.087 ( 1.199 1.076 0.455) 1.674 4.138 ( -2.037 -2.736 0.155) 3.415 4.138 ( -2.037 2.736 0.155) 3.415 4.382 ( -0.089 -2.318 2.525) 3.429 4.382 ( -0.089 2.318 2.525) 3.429 4.456 ( 1.992 -4.186 -0.235) 4.642 4.456 ( 1.992 4.186 -0.235) 4.642 4.489 ( -0.633 -4.013 -2.869) 4.973 4.489 ( -0.633 4.013 -2.869) 4.973 4.674 ( -0.732 -1.184 -0.649) 1.536 4.674 ( -0.732 1.184 -0.649) 1.536 4.837 ( 1.781 -2.796 1.098) 3.492 4.837 ( 1.781 2.796 1.097) 3.492 4.887 ( -0.701 -1.307 -0.866) 1.717 4.887 ( -0.701 1.307 -0.866) 1.717 4.976 ( -0.287 -2.592 0.855) 2.745 4.976 ( -0.287 2.592 0.855) 2.745 5.013 ( -0.199 -1.651 -0.977) 1.929 5.013 ( -0.199 1.651 -0.977) 1.929 ======================= Grid point 195 (103/105) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.295 -2.858 1.553) 3.266 1.008 ( 0.295 2.858 1.553) 3.266 1.113 ( -0.114 -2.265 0.812) 2.409 1.113 ( -0.114 2.265 0.812) 2.409 1.346 ( -1.345 -4.334 1.713) 4.850 1.346 ( -1.345 4.334 1.713) 4.850 1.400 ( -1.640 -3.789 -0.676) 4.184 1.400 ( -1.640 3.789 -0.676) 4.184 1.814 ( 1.015 -2.019 -0.144) 2.264 1.814 ( 1.015 2.019 -0.144) 2.264 2.023 ( -0.043 -1.944 0.699) 2.066 2.023 ( -0.043 1.944 0.699) 2.066 2.350 ( -0.563 -1.186 -1.402) 1.921 2.350 ( -0.563 1.186 -1.402) 1.921 2.478 ( 4.432 -2.606 -1.010) 5.240 2.478 ( 4.432 2.606 -1.010) 5.240 2.874 ( -6.571 -2.209 -1.939) 7.198 2.874 ( -6.571 2.209 -1.939) 7.198 3.101 ( 1.584 -0.684 -1.451) 2.254 3.101 ( 1.584 0.684 -1.451) 2.254 3.192 ( 1.540 -1.888 2.210) 3.289 3.192 ( 1.540 1.888 2.210) 3.289 3.367 ( 4.598 -1.931 4.100) 6.456 3.367 ( 4.598 1.931 4.100) 6.456 3.601 ( -2.314 -0.908 -1.258) 2.786 3.601 ( -2.314 0.908 -1.258) 2.786 3.846 ( -2.352 -0.847 -0.351) 2.524 3.846 ( -2.352 0.847 -0.351) 2.524 4.026 ( -4.121 -4.594 0.288) 6.178 4.026 ( -4.121 4.594 0.288) 6.178 4.174 ( 1.190 -1.203 0.518) 1.770 4.174 ( 1.190 1.203 0.518) 1.770 4.401 ( -0.083 -2.645 1.057) 2.850 4.401 ( -0.083 2.645 1.057) 2.850 4.460 ( 1.578 -3.048 -3.550) 4.938 4.460 ( 1.578 3.048 -3.550) 4.938 4.501 ( 2.114 -2.528 0.483) 3.331 4.501 ( 2.114 2.528 0.483) 3.331 4.683 ( 1.259 -1.479 1.610) 2.523 4.683 ( 1.259 1.479 1.610) 2.523 4.797 ( -3.618 -0.778 -1.828) 4.128 4.797 ( -3.618 0.778 -1.828) 4.128 4.890 ( -0.168 -1.283 -0.179) 1.306 4.890 ( -0.168 1.283 -0.179) 1.306 4.991 ( 0.371 -2.211 -0.833) 2.392 4.991 ( 0.371 2.211 -0.833) 2.392 5.002 ( -0.023 -1.990 1.638) 2.578 5.002 ( -0.023 1.990 1.638) 2.578 ======================= Grid point 197 (104/105) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.322 -2.100 2.190) 3.051 1.034 ( 0.322 2.100 2.190) 3.051 1.118 ( -0.116 -1.956 0.402) 2.001 1.118 ( -0.116 1.956 0.402) 2.001 1.314 ( -3.717 -6.584 1.279) 7.668 1.314 ( -3.717 6.584 1.279) 7.668 1.385 ( 0.353 -7.384 0.739) 7.430 1.385 ( 0.353 7.384 0.739) 7.430 1.836 ( 1.476 -3.739 -0.055) 4.020 1.836 ( 1.476 3.739 -0.055) 4.020 2.018 ( -0.197 -2.970 -1.057) 3.159 2.018 ( -0.197 2.970 -1.057) 3.159 2.372 ( 2.120 -2.159 1.177) 3.247 2.372 ( 2.120 2.159 1.177) 3.247 2.512 ( 1.184 -1.679 -3.756) 4.281 2.512 ( 1.184 1.679 -3.756) 4.281 2.760 ( -2.484 -1.829 -0.528) 3.130 2.760 ( -2.484 1.829 -0.528) 3.130 3.117 ( 1.091 -0.213 -1.041) 1.523 3.117 ( 1.091 0.213 -1.041) 1.523 3.225 ( 0.170 -0.945 3.066) 3.213 3.225 ( 0.170 0.945 3.066) 3.213 3.485 ( -2.109 -2.670 0.517) 3.441 3.485 ( -2.109 2.670 0.517) 3.441 3.563 ( 2.929 -1.576 3.242) 4.645 3.563 ( 2.929 1.576 3.242) 4.645 3.792 ( -1.971 -2.202 -1.583) 3.353 3.792 ( -1.971 2.202 -1.583) 3.353 3.963 ( -2.480 -3.788 -0.431) 4.548 3.963 ( -2.480 3.788 -0.431) 4.548 4.177 ( 0.175 -1.572 -0.852) 1.796 4.177 ( 0.175 1.572 -0.852) 1.796 4.405 ( 0.339 -2.252 0.501) 2.332 4.405 ( 0.339 2.252 0.501) 2.332 4.459 ( 0.698 -4.005 -2.415) 4.729 4.459 ( 0.698 4.005 -2.415) 4.729 4.528 ( -0.268 -2.608 0.648) 2.701 4.528 ( -0.268 2.608 0.648) 2.701 4.698 ( -2.305 -2.092 -1.787) 3.589 4.698 ( -2.305 2.092 -1.787) 3.589 4.770 ( 2.755 -2.940 3.299) 5.208 4.770 ( 2.755 2.940 3.299) 5.208 4.858 ( -1.734 -1.578 -1.651) 2.867 4.858 ( -1.734 1.578 -1.651) 2.867 4.977 ( -0.504 -0.262 -0.435) 0.715 4.977 ( -0.504 0.262 -0.435) 0.715 5.027 ( 0.417 -2.329 0.716) 2.472 5.027 ( 0.417 2.329 0.716) 2.472 ======================= Grid point 199 (105/105) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.120 -3.977 3.306) 5.173 1.061 ( -0.120 3.977 3.306) 5.173 1.119 ( -0.211 -6.285 0.701) 6.328 1.119 ( -0.211 6.285 0.701) 6.328 1.268 ( -1.718 -6.503 0.816) 6.776 1.268 ( -1.718 6.503 0.816) 6.776 1.385 ( -1.057 -8.510 -1.131) 8.650 1.385 ( -1.057 8.510 -1.131) 8.650 1.871 ( 1.882 -4.868 0.986) 5.311 1.871 ( 1.882 4.868 0.986) 5.311 2.003 ( 0.015 -4.823 -1.524) 5.058 2.003 ( 0.015 4.823 -1.524) 5.058 2.380 ( -2.950 -2.829 0.446) 4.111 2.380 ( -2.950 2.829 0.446) 4.111 2.487 ( 1.791 -0.783 -3.456) 3.970 2.487 ( 1.791 0.783 -3.456) 3.970 2.801 ( 5.036 -0.977 1.700) 5.404 2.801 ( 5.036 0.977 1.700) 5.404 3.106 ( -1.287 -0.274 -1.342) 1.879 3.106 ( -1.287 0.274 -1.342) 1.879 3.258 ( -1.065 -0.432 1.790) 2.127 3.258 ( -1.065 0.432 1.790) 2.127 3.415 ( -1.237 -1.921 1.355) 2.656 3.415 ( -1.237 1.921 1.355) 2.656 3.639 ( -0.924 -1.260 3.642) 3.963 3.639 ( -0.924 1.260 3.642) 3.963 3.761 ( -0.024 -2.638 -1.344) 2.961 3.761 ( -0.024 2.638 -1.344) 2.961 3.936 ( 0.880 -2.313 -2.099) 3.245 3.936 ( 0.880 2.313 -2.099) 3.245 4.154 ( -1.739 -3.959 -2.383) 4.937 4.154 ( -1.739 3.959 -2.383) 4.937 4.422 ( 0.123 -2.175 -0.427) 2.220 4.422 ( 0.123 2.175 -0.427) 2.220 4.458 ( 0.915 -1.562 1.931) 2.647 4.458 ( 0.915 1.562 1.931) 2.647 4.513 ( -0.776 -3.883 0.773) 4.035 4.513 ( -0.776 3.883 0.773) 4.035 4.652 ( -0.846 -1.510 -1.140) 2.073 4.652 ( -0.846 1.510 -1.140) 2.073 4.803 ( -0.665 -0.707 -2.261) 2.460 4.803 ( -0.665 0.707 -2.261) 2.460 4.859 ( 1.022 -0.674 2.244) 2.557 4.859 ( 1.022 0.674 2.244) 2.557 4.964 ( -0.104 -1.413 -0.396) 1.471 4.964 ( -0.104 1.413 -0.396) 1.471 5.031 ( -0.087 -1.096 -0.144) 1.109 5.031 ( -0.087 1.096 -0.144) 1.109 =================== 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 3/15360 10.0 31.112 45.350 33.952 0.000 1.319 0.000 3/15360 20.0 10.376 18.818 11.331 0.000 0.238 0.000 3/15360 30.0 5.185 10.107 5.564 0.000 0.163 0.000 3/15360 40.0 3.146 6.339 3.348 0.000 0.123 0.000 3/15360 50.0 2.185 4.462 2.314 0.000 0.097 0.000 3/15360 60.0 1.661 3.405 1.751 0.000 0.080 0.000 3/15360 70.0 1.339 2.748 1.407 0.000 0.069 0.000 3/15360 80.0 1.124 2.304 1.177 0.000 0.061 0.000 3/15360 90.0 0.970 1.986 1.014 0.000 0.054 0.000 3/15360 100.0 0.855 1.748 0.891 0.000 0.049 0.000 3/15360 110.0 0.765 1.562 0.796 0.000 0.045 0.000 3/15360 120.0 0.693 1.413 0.720 0.000 0.041 0.000 3/15360 130.0 0.633 1.291 0.657 0.000 0.038 0.000 3/15360 140.0 0.584 1.188 0.605 0.000 0.036 0.000 3/15360 150.0 0.541 1.102 0.561 0.000 0.033 0.000 3/15360 160.0 0.505 1.027 0.523 0.000 0.031 0.000 3/15360 170.0 0.473 0.962 0.490 0.000 0.030 0.000 3/15360 180.0 0.446 0.905 0.461 0.000 0.028 0.000 3/15360 190.0 0.421 0.855 0.435 0.000 0.027 0.000 3/15360 200.0 0.399 0.810 0.412 0.000 0.025 0.000 3/15360 210.0 0.379 0.769 0.391 0.000 0.024 0.000 3/15360 220.0 0.361 0.733 0.373 0.000 0.023 0.000 3/15360 230.0 0.345 0.700 0.356 0.000 0.022 0.000 3/15360 240.0 0.330 0.669 0.341 0.000 0.021 0.000 3/15360 250.0 0.316 0.642 0.326 0.000 0.020 0.000 3/15360 260.0 0.304 0.616 0.313 0.000 0.020 0.000 3/15360 270.0 0.292 0.593 0.302 0.000 0.019 0.000 3/15360 280.0 0.282 0.571 0.290 0.000 0.018 0.000 3/15360 290.0 0.272 0.551 0.280 0.000 0.018 0.000 3/15360 300.0 0.263 0.532 0.271 0.000 0.017 0.000 3/15360 310.0 0.254 0.515 0.262 0.000 0.017 0.000 3/15360 320.0 0.246 0.498 0.253 0.000 0.016 0.000 3/15360 330.0 0.238 0.483 0.245 0.000 0.016 0.000 3/15360 340.0 0.231 0.468 0.238 0.000 0.015 0.000 3/15360 350.0 0.224 0.455 0.231 0.000 0.015 0.000 3/15360 360.0 0.218 0.442 0.225 0.000 0.014 0.000 3/15360 370.0 0.212 0.430 0.219 0.000 0.014 0.000 3/15360 380.0 0.206 0.418 0.213 0.000 0.014 0.000 3/15360 390.0 0.201 0.407 0.207 0.000 0.013 0.000 3/15360 400.0 0.196 0.397 0.202 0.000 0.013 0.000 3/15360 410.0 0.191 0.387 0.197 0.000 0.013 0.000 3/15360 420.0 0.187 0.378 0.192 0.000 0.012 0.000 3/15360 430.0 0.182 0.369 0.188 0.000 0.012 0.000 3/15360 440.0 0.178 0.361 0.183 0.000 0.012 0.000 3/15360 450.0 0.174 0.352 0.179 0.000 0.011 0.000 3/15360 460.0 0.170 0.345 0.175 0.000 0.011 0.000 3/15360 470.0 0.167 0.337 0.172 0.000 0.011 0.000 3/15360 480.0 0.163 0.330 0.168 0.000 0.011 0.000 3/15360 490.0 0.160 0.323 0.164 0.000 0.011 0.000 3/15360 500.0 0.157 0.317 0.161 0.000 0.010 0.000 3/15360 510.0 0.153 0.311 0.158 0.000 0.010 0.000 3/15360 520.0 0.150 0.305 0.155 0.000 0.010 0.000 3/15360 530.0 0.148 0.299 0.152 0.000 0.010 0.000 3/15360 540.0 0.145 0.293 0.149 0.000 0.010 0.000 3/15360 550.0 0.142 0.288 0.146 0.000 0.009 0.000 3/15360 560.0 0.140 0.283 0.144 0.000 0.009 0.000 3/15360 570.0 0.137 0.278 0.141 0.000 0.009 0.000 3/15360 580.0 0.135 0.273 0.139 0.000 0.009 0.000 3/15360 590.0 0.133 0.268 0.136 0.000 0.009 0.000 3/15360 600.0 0.130 0.264 0.134 0.000 0.009 0.000 3/15360 610.0 0.128 0.259 0.132 0.000 0.008 0.000 3/15360 620.0 0.126 0.255 0.130 0.000 0.008 0.000 3/15360 630.0 0.124 0.251 0.128 0.000 0.008 0.000 3/15360 640.0 0.122 0.247 0.126 0.000 0.008 0.000 3/15360 650.0 0.120 0.243 0.124 0.000 0.008 0.000 3/15360 660.0 0.118 0.240 0.122 0.000 0.008 0.000 3/15360 670.0 0.117 0.236 0.120 0.000 0.008 0.000 3/15360 680.0 0.115 0.233 0.118 0.000 0.008 0.000 3/15360 690.0 0.113 0.229 0.117 0.000 0.007 0.000 3/15360 700.0 0.112 0.226 0.115 0.000 0.007 0.000 3/15360 710.0 0.110 0.223 0.113 0.000 0.007 0.000 3/15360 720.0 0.108 0.220 0.112 0.000 0.007 0.000 3/15360 730.0 0.107 0.217 0.110 0.000 0.007 0.000 3/15360 740.0 0.106 0.214 0.109 0.000 0.007 0.000 3/15360 750.0 0.104 0.211 0.107 0.000 0.007 0.000 3/15360 760.0 0.103 0.208 0.106 0.000 0.007 0.000 3/15360 770.0 0.101 0.205 0.104 0.000 0.007 0.000 3/15360 780.0 0.100 0.203 0.103 0.000 0.007 0.000 3/15360 790.0 0.099 0.200 0.102 0.000 0.007 0.000 3/15360 800.0 0.098 0.198 0.100 0.000 0.006 0.000 3/15360 810.0 0.096 0.195 0.099 0.000 0.006 0.000 3/15360 820.0 0.095 0.193 0.098 0.000 0.006 0.000 3/15360 830.0 0.094 0.190 0.097 0.000 0.006 0.000 3/15360 840.0 0.093 0.188 0.096 0.000 0.006 0.000 3/15360 850.0 0.092 0.186 0.095 0.000 0.006 0.000 3/15360 860.0 0.091 0.184 0.093 0.000 0.006 0.000 3/15360 870.0 0.090 0.182 0.092 0.000 0.006 0.000 3/15360 880.0 0.089 0.180 0.091 0.000 0.006 0.000 3/15360 890.0 0.088 0.178 0.090 0.000 0.006 0.000 3/15360 900.0 0.087 0.176 0.089 0.000 0.006 0.000 3/15360 910.0 0.086 0.174 0.088 0.000 0.006 0.000 3/15360 920.0 0.085 0.172 0.087 0.000 0.006 0.000 3/15360 930.0 0.084 0.170 0.086 0.000 0.006 0.000 3/15360 940.0 0.083 0.168 0.085 0.000 0.005 0.000 3/15360 950.0 0.082 0.166 0.085 0.000 0.005 0.000 3/15360 960.0 0.081 0.165 0.084 0.000 0.005 0.000 3/15360 970.0 0.080 0.163 0.083 0.000 0.005 0.000 3/15360 980.0 0.080 0.161 0.082 0.000 0.005 0.000 3/15360 990.0 0.079 0.160 0.081 0.000 0.005 0.000 3/15360 1000.0 0.078 0.158 0.080 0.000 0.005 0.000 3/15360 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:40:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|